A0A5K4F2R2_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2R2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 507 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	56.3	Low	81.1	Confident	233 Å²	233	106.9 Å²	106.9	100%	1.148	55%	0.546	S	S	*	.				0	122.6	0	-150.1	176.3	-144.3	0	0	105	E3	M1-E3 PolarHBondContact O-N 3.47Å
2	V	73.4	Confident	81.8	Confident	116 Å²	116	98.3 Å²	98.3	70%	0.703	50%	0.502	S	S	*	.			trans	-72.9	120.6	177	179.7	0	0	0	0	106.7	D6	V2-D6 HydrophobicContact CG1-CB 4.01Å
3	E	81.5	Confident	82.4	Confident	98 Å²	98	92.2 Å²	92.2	46%	0.458	47%	0.469	S	S	.	.			trans	-79.9	154.4	178.3	-64.5	-171	-174.9	0	0	110	M1 R5 D6	M1-E3 PolarHBondContact O-N 3.47Å; E3-R5 HydrophobicContact CB-CG 3.82Å; E3-R5 PolarHBondContact O-N 2.82Å; E3-R5 VanDerWaalsContact O-N 3.09Å; E3-R5 VanDerWaalsContact OE2-CD 3.27Å; E3-R5 WeakPolarHBondContact OE2-CD 3.27Å; E3-R5 IonicContact OE2-CZ 2.86Å; E3-R5 IonicContact OE2-NE 2.7Å; E3-R5 PolarHBondContact OE2-NE 3.27Å; E3-R5 IonicContact OE2-NH2 3.37Å; E3-D6 WeakPolarHBondContact CB-OD2 3.47Å; E3-D6 PolarHBondContact N-OD2 2.85Å; E3-D6 VanDerWaalsContact N-OD2 3.11Å; E3-D6 WeakPolarHBondContact O-CB 3.39Å; E3-D6 PolarHBondContact O-N 3.46Å
4	I	80.7	Confident	82.8	Confident	100 Å²	100	91.3 Å²	91.3	51%	0.513	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-57.1	-29.1	177.3	-65.2	172.3	0	0	0	111.2	D6 L7 F12 F34	I4-D6 VanDerWaalsContact C-N 3.25Å; I4-D6 PolarHBondContact O-N 3.3Å; I4-L7 HydrophobicContact CB-CD1 4.47Å; I4-L7 HydrophobicContact CG2-CD1 4.21Å; I4-L7 WeakPolarHBondContact O-CB 3.19Å; I4-L7 PolarHBondContact O-N 3.27Å; I4-F12 HydrophobicContact CG2-CD2 4.24Å; I4-F34 HydrophobicContact CB-CZ 4.15Å; I4-F34 HydrophobicContact CG2-CE1 4.04Å; I4-F34 HydrophobicContact CG2-CZ 3.61Å
5	R	79.8	Confident	83.2	Confident	140 Å²	140	90.5 Å²	90.5	53%	0.528	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-68	-21.8	177	71.8	-179.9	75.6	-157.3	0.8	114	E3 L7	E3-R5 HydrophobicContact CB-CG 3.82Å; E3-R5 PolarHBondContact O-N 2.82Å; E3-R5 VanDerWaalsContact O-N 3.09Å; E3-R5 VanDerWaalsContact OE2-CD 3.27Å; E3-R5 WeakPolarHBondContact OE2-CD 3.27Å; E3-R5 IonicContact OE2-CZ 2.86Å; E3-R5 IonicContact OE2-NE 2.7Å; E3-R5 PolarHBondContact OE2-NE 3.27Å; E3-R5 IonicContact OE2-NH2 3.37Å; R5-L7 VanDerWaalsContact C-N 3.33Å
6	D	84.7	Confident	83.7	Confident	101 Å²	101	84.9 Å²	84.9	54%	0.54	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-88.8	-5	-179.6	-54.8	-39.5	0	0	0	112	V2 E3 I4	V2-D6 HydrophobicContact CG1-CB 4.01Å; E3-D6 WeakPolarHBondContact CB-OD2 3.47Å; E3-D6 PolarHBondContact N-OD2 2.85Å; E3-D6 VanDerWaalsContact N-OD2 3.11Å; E3-D6 WeakPolarHBondContact O-CB 3.39Å; E3-D6 PolarHBondContact O-N 3.46Å; I4-D6 VanDerWaalsContact C-N 3.25Å; I4-D6 PolarHBondContact O-N 3.3Å
7	L	85.5	Confident	83.9	Confident	43 Å²	43	81 Å²	81	23%	0.225	41%	0.412	C	S	.	.	S	Bend	trans	-69.8	143.3	178.6	-66.7	174	0	0	0	111	I4 R5 Q9 I15 W37	I4-L7 HydrophobicContact CB-CD1 4.47Å; I4-L7 HydrophobicContact CG2-CD1 4.21Å; I4-L7 WeakPolarHBondContact O-CB 3.19Å; I4-L7 PolarHBondContact O-N 3.27Å; R5-L7 VanDerWaalsContact C-N 3.33Å; L7-Q9 PolarHBondContact O-N 3.37Å; L7-I15 HydrophobicContact CD1-CD1 3.58Å; L7-W37 WeakPolarHBondContact O-CH2 3.46Å
8	P	88.6	Confident	84.1	Confident	79 Å²	79	84.6 Å²	84.6	51%	0.513	42%	0.421	S	S	.	.			trans	-50.3	140.5	164.1	-25.9	32.8	0	0	0	111.7	D10 L11 F12	P8-D10 PolarHBondContact O-N 3.41Å; P8-D10 VanDerWaalsContact O-N 3.14Å; P8-L11 HydrophobicContact CG-CD1 4.27Å; P8-L11 PolarHBondContact O-N 2.76Å; P8-F12 PolarHBondContact O-N 3.47Å
9	Q	86.4	Confident	84.3	Confident	50 Å²	50	83.3 Å²	83.3	23%	0.234	42%	0.415	C	S	.	.	H	α-helix	trans	-54.2	-36.9	-176.9	-176.9	174.3	-3.7	0	0	112.8	L7 F12 Y13 W37	L7-Q9 PolarHBondContact O-N 3.37Å; Q9-F12 WeakPolarHBondContact O-CB 3.45Å; Q9-F12 PolarHBondContact O-N 2.81Å; Q9-Y13 HydrophobicContact CG-CD2 4.08Å; Q9-Y13 HydrophobicContact CG-CE1 4.42Å; Q9-Y13 HydrophobicContact CG-CE2 3.59Å; Q9-Y13 VanDerWaalsContact NE2-CZ 3.31Å; Q9-Y13 PolarHBondContact NE2-OH 3.49Å; Q9-Y13 PolarHBondContact O-N 3.43Å; Q9-W37 HydrophobicContact CB-CZ2 4.37Å; Q9-W37 HydrophobicContact CG-CD2 4.34Å; Q9-W37 HydrophobicContact CG-CG 4.32Å
10	D	86.4	Confident	84.3	Confident	121 Å²	121	85.9 Å²	85.9	65%	0.647	42%	0.42	S	S	*	.	H	α-helix	trans	-65.4	-40.9	178.2	-62.8	-32.1	0	0	0	112.2	P8 Y13 Q14	P8-D10 PolarHBondContact O-N 3.41Å; P8-D10 VanDerWaalsContact O-N 3.14Å; D10-Y13 PolarHBondContact O-N 2.86Å; D10-Q14 WeakPolarHBondContact O-CG 3.41Å; D10-Q14 PolarHBondContact O-N 2.87Å
11	L	88.2	Confident	84.2	Confident	95 Å²	95	82 Å²	82	50%	0.497	40%	0.401	S	S	.	.	H	α-helix	trans	-68.2	-38.8	176.1	-68.5	-176.7	0	0	0	111.1	P8 Y13 Q14 I15	P8-L11 HydrophobicContact CG-CD1 4.27Å; P8-L11 PolarHBondContact O-N 2.76Å; L11-Y13 VanDerWaalsContact C-N 3.33Å; L11-Y13 PolarHBondContact O-N 3.48Å; L11-Q14 PolarHBondContact O-N 3.18Å; L11-I15 WeakPolarHBondContact O-CG1 3.25Å; L11-I15 PolarHBondContact O-N 2.91Å
12	F	89.6	Confident	85.3	Confident	3 Å²	3	74.1 Å²	74.1	1%	0.013	36%	0.364	C	S	.	.	H	α-helix	trans	-58.5	-44.9	172.3	174.7	-96.5	0	0	0	111.5	I4 P8 Q9 I15 C16 L27 F34 W37 L38	I4-F12 HydrophobicContact CG2-CD2 4.24Å; P8-F12 PolarHBondContact O-N 3.47Å; Q9-F12 WeakPolarHBondContact O-CB 3.45Å; Q9-F12 PolarHBondContact O-N 2.81Å; F12-I15 PolarHBondContact O-N 3.42Å; F12-C16 WeakPolarHBondContact CE1-SG 3.24Å; F12-C16 WeakPolarHBondContact CZ-SG 3.35Å; F12-C16 WeakPolarHBondContact O-CB 3.28Å; F12-C16 PolarHBondContact O-N 3.27Å; F12-C16 PolarHBondContact O-SG 2.88Å; F12-L27 HydrophobicContact CE2-CD2 3.95Å; F12-L27 HydrophobicContact CZ-CD2 3.79Å; F12-F34 HydrophobicContact CD2-CD1 4.01Å; F12-F34 AromaticContact CD2-CE1 3.88Å; F12-F34 HydrophobicContact CD2-CE1 3.88Å; F12-F34 HydrophobicContact CE2-CB 4.44Å; F12-F34 AromaticContact CE2-CD1 3.26Å; F12-F34 HydrophobicContact CE2-CD1 3.26Å; F12-F34 HydrophobicContact CE2-CD2 4.37Å; F12-F34 AromaticContact CE2-CE1 3.44Å; F12-F34 HydrophobicContact CE2-CE1 3.44Å; F12-F34 VanDerWaalsContact CE2-CE1 3.44Å; F12-F34 AromaticContact CE2-CG 3.78Å; F12-F34 HydrophobicContact CE2-CG 3.78Å; F12-F34 HydrophobicContact CE2-CZ 4.08Å; F12-F34 HydrophobicContact CZ-CB 3.97Å; F12-F34 AromaticContact CZ-CD1 3.57Å; F12-F34 HydrophobicContact CZ-CD1 3.57Å; F12-F34 HydrophobicContact CZ-CE1 4.22Å; F12-F34 AromaticContact CZ-CG 3.82Å; F12-F34 HydrophobicContact CZ-CG 3.82Å; F12-W37 HydrophobicContact CB-CE3 3.99Å; F12-W37 HydrophobicContact CB-CZ3 3.73Å; F12-W37 HydrophobicContact CD1-CB 4.3Å; F12-W37 HydrophobicContact CD1-CD2 4.21Å; F12-W37 AromaticContact CD1-CE3 3.34Å; F12-W37 HydrophobicContact CD1-CE3 3.34Å; F12-W37 AromaticContact CD1-CZ3 3.97Å; F12-W37 HydrophobicContact CD1-CZ3 3.97Å; F12-W37 AromaticContact CD2-CE3 3.92Å; F12-W37 HydrophobicContact CD2-CE3 3.92Å; F12-W37 AromaticContact CD2-CZ3 3.84Å; F12-W37 HydrophobicContact CD2-CZ3 3.84Å; F12-W37 HydrophobicContact CE1-CB 4.02Å; F12-W37 HydrophobicContact CE1-CD2 4.5Å; F12-W37 AromaticContact CE1-CE3 3.7Å; F12-W37 HydrophobicContact CE1-CE3 3.7Å; F12-W37 HydrophobicContact CE2-CE3 4.23Å; F12-W37 HydrophobicContact CE2-CZ3 4.45Å; F12-W37 AromaticContact CG-CE3 3.46Å; F12-W37 HydrophobicContact CG-CE3 3.46Å; F12-W37 VanDerWaalsContact CG-CE3 3.46Å; F12-W37 AromaticContact CG-CZ3 3.56Å; F12-W37 HydrophobicContact CG-CZ3 3.56Å; F12-W37 HydrophobicContact CZ-CE3 4.12Å; F12-L38 HydrophobicContact CE1-CD2 4.18Å; F12-L38 HydrophobicContact CE1-CG 4.13Å; F12-L38 HydrophobicContact CZ-CD1 4.43Å; F12-L38 HydrophobicContact CZ-CG 4.35Å
13	Y	90.6	Very high	85.9	Confident	20 Å²	20	72 Å²	72	8%	0.078	35%	0.348	C	S	.	.	H	α-helix	trans	-65.7	-36	176.2	-69.8	-25	0	0	0	113.4	Q9 D10 L11 C16 S17 W37 Y43	Q9-Y13 HydrophobicContact CG-CD2 4.08Å; Q9-Y13 HydrophobicContact CG-CE1 4.42Å; Q9-Y13 HydrophobicContact CG-CE2 3.59Å; Q9-Y13 VanDerWaalsContact NE2-CZ 3.31Å; Q9-Y13 PolarHBondContact NE2-OH 3.49Å; Q9-Y13 PolarHBondContact O-N 3.43Å; D10-Y13 PolarHBondContact O-N 2.86Å; L11-Y13 VanDerWaalsContact C-N 3.33Å; L11-Y13 PolarHBondContact O-N 3.48Å; Y13-C16 PolarHBondContact O-N 3.41Å; Y13-S17 PolarHBondContact O-N 3.01Å; Y13-W37 HydrophobicContact CE1-CB 4.01Å; Y13-W37 PolarHBondContact OH-O 2.86Å; Y13-Y43 AromaticContact CD1-CD2 3.25Å; Y13-Y43 HydrophobicContact CD1-CD2 3.25Å; Y13-Y43 AromaticContact CD1-CE2 3.68Å; Y13-Y43 HydrophobicContact CD1-CE2 3.68Å; Y13-Y43 AromaticContact CD1-CG 3.79Å; Y13-Y43 HydrophobicContact CD1-CG 3.79Å; Y13-Y43 HydrophobicContact CD2-CD2 4Å; Y13-Y43 AromaticContact CE1-CD2 3.69Å; Y13-Y43 HydrophobicContact CE1-CD2 3.69Å; Y13-Y43 HydrophobicContact CE1-CE2 4.44Å; Y13-Y43 AromaticContact CE1-CG 3.72Å; Y13-Y43 HydrophobicContact CE1-CG 3.72Å; Y13-Y43 HydrophobicContact CE2-CD2 4.37Å; Y13-Y43 AromaticContact CG-CD2 3.42Å; Y13-Y43 HydrophobicContact CG-CD2 3.42Å; Y13-Y43 VanDerWaalsContact CG-CD2 3.42Å; Y13-Y43 AromaticContact CG-CE2 3.91Å; Y13-Y43 HydrophobicContact CG-CE2 3.91Å; Y13-Y43 HydrophobicContact CG-CG 4.28Å
14	Q	87.5	Confident	86.1	Confident	79 Å²	79	67.3 Å²	67.3	37%	0.369	33%	0.327	S	S	.	.	H	α-helix	trans	-63	-44.5	171.6	-67.2	-52.3	-41.3	0	0	111.4	D10 L11 C16 S17 Y18 W46	D10-Q14 WeakPolarHBondContact O-CG 3.41Å; D10-Q14 PolarHBondContact O-N 2.87Å; L11-Q14 PolarHBondContact O-N 3.18Å; Q14-C16 VanDerWaalsContact C-N 3.34Å; Q14-C16 PolarHBondContact O-N 2.92Å; Q14-S17 VanDerWaalsContact O-CB 3.31Å; Q14-S17 WeakPolarHBondContact O-CB 3.37Å; Q14-S17 PolarHBondContact O-N 3.42Å; Q14-S17 VanDerWaalsContact O-N 3.12Å; Q14-S17 PolarHBondContact O-OG 3.38Å; Q14-Y18 WeakPolarHBondContact O-CD2 3.46Å; Q14-Y18 WeakPolarHBondContact O-CE2 3.04Å; Q14-W46 VanDerWaalsContact NE2-CH2 3.29Å
15	I	89.4	Confident	86	Confident	80 Å²	80	63.2 Å²	63.2	41%	0.41	31%	0.305	S	S	.	.	H	α-helix	trans	-60.2	-47.6	175.9	-66.6	164.8	0	0	0	110.2	L7 L11 F12 S17 Y18	L7-I15 HydrophobicContact CD1-CD1 3.58Å; L11-I15 WeakPolarHBondContact O-CG1 3.25Å; L11-I15 PolarHBondContact O-N 2.91Å; F12-I15 PolarHBondContact O-N 3.42Å; I15-S17 PolarHBondContact O-N 2.85Å; I15-Y18 PolarHBondContact O-N 2.83Å; I15-Y18 VanDerWaalsContact O-N 3.09Å
16	C	90.2	Very high	86.2	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.007	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-28.6	177.5	-68.6	0	0	0	0	112.7	F12 Y13 Q14 Y18 L19 L24 Y43 R47	F12-C16 WeakPolarHBondContact CE1-SG 3.24Å; F12-C16 WeakPolarHBondContact CZ-SG 3.35Å; F12-C16 WeakPolarHBondContact O-CB 3.28Å; F12-C16 PolarHBondContact O-N 3.27Å; F12-C16 PolarHBondContact O-SG 2.88Å; Y13-C16 PolarHBondContact O-N 3.41Å; Q14-C16 VanDerWaalsContact C-N 3.34Å; Q14-C16 PolarHBondContact O-N 2.92Å; C16-Y18 PolarHBondContact O-N 2.92Å; C16-L19 PolarHBondContact O-N 2.82Å; C16-L19 VanDerWaalsContact O-N 3.09Å; C16-L24 HydrophobicContact CB-CD2 3.52Å; C16-Y43 HydrophobicContact CB-CE2 4.23Å; C16-Y43 WeakPolarHBondContact CB-OH 3.24Å; C16-Y43 PolarHBondContact O-OH 3.05Å; C16-R47 PolarHBondContact O-NH1 2.85Å
17	S	87.1	Confident	86.2	Confident	18 Å²	18	56 Å²	56	13%	0.126	29%	0.285	C	S	.	.	H	α-helix	trans	-60.3	-26.2	176.7	82.6	0	0	0	0	113.4	Y13 Q14 I15 R47	Y13-S17 PolarHBondContact O-N 3.01Å; Q14-S17 VanDerWaalsContact O-CB 3.31Å; Q14-S17 WeakPolarHBondContact O-CB 3.37Å; Q14-S17 PolarHBondContact O-N 3.42Å; Q14-S17 VanDerWaalsContact O-N 3.12Å; Q14-S17 PolarHBondContact O-OG 3.38Å; I15-S17 PolarHBondContact O-N 2.85Å; S17-R47 VanDerWaalsContact CA-NH1 3.29Å; S17-R47 PolarHBondContact O-NH1 2.78Å
18	Y	87.2	Confident	86.1	Confident	146 Å²	146	54.3 Å²	54.3	57%	0.573	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-7.9	177.6	-64.3	-79.4	0	0	0	114.2	Q14 I15 C16 F315	Q14-Y18 WeakPolarHBondContact O-CD2 3.46Å; Q14-Y18 WeakPolarHBondContact O-CE2 3.04Å; I15-Y18 PolarHBondContact O-N 2.83Å; I15-Y18 VanDerWaalsContact O-N 3.09Å; C16-Y18 PolarHBondContact O-N 2.92Å; Y18-F315 HydrophobicContact CD1-CD2 4.14Å; Y18-F315 HydrophobicContact CD1-CE2 4.12Å; Y18-F315 HydrophobicContact CD1-CZ 4.46Å; Y18-F315 VanDerWaalsContact O-CZ 3.27Å; Y18-F315 WeakPolarHBondContact O-CZ 3.08Å
19	L	89.2	Confident	85.7	Confident	59 Å²	59	54.6 Å²	54.6	31%	0.309	28%	0.28	S	S	.	.	S	Bend	trans	-88.7	150	178.1	-60.8	179.7	0	0	0	110.7	C16 D23 L24 L27 R47	C16-L19 PolarHBondContact O-N 2.82Å; C16-L19 VanDerWaalsContact O-N 3.09Å; L19-D23 HydrophobicContact CB-CB 4.33Å; L19-L24 HydrophobicContact CB-CD2 3.86Å; L19-L24 HydrophobicContact CB-CG 4.13Å; L19-L24 HydrophobicContact CD1-CD2 3.94Å; L19-L24 HydrophobicContact CG-CD2 4.46Å; L19-L27 HydrophobicContact CD1-CD2 4.43Å; L19-R47 PolarHBondContact O-NH2 2.93Å
20	R	83.6	Confident	85.7	Confident	136 Å²	136	57.4 Å²	57.4	51%	0.513	30%	0.301	S	S	.	.			trans	-72.2	154.9	169.9	-63.2	-174.3	-67.2	178.4	-1.7	109.7	N22 D23 L24 E74	R20-N22 VanDerWaalsContact C-N 3.25Å; R20-N22 PolarHBondContact O-N 3.12Å; R20-D23 WeakPolarHBondContact CB-OD2 3.28Å; R20-D23 PolarHBondContact N-OD2 2.93Å; R20-D23 IonicContact NE-OD2 2.66Å; R20-D23 WeakPolarHBondContact O-CA 3.42Å; R20-D23 WeakPolarHBondContact O-CB 3.42Å; R20-D23 PolarHBondContact O-N 3Å; R20-L24 PolarHBondContact O-N 2.5Å; R20-E74 WeakPolarHBondContact CA-OE1 3.23Å
21	I	82.9	Confident	85.5	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-65.6	-30.2	-174.8	-155	168.2	0	0	0	113.6	D23 L24 I25 W44 F71 E74	I21-D23 VanDerWaalsContact C-N 3.28Å; I21-D23 PolarHBondContact O-N 3.46Å; I21-L24 WeakPolarHBondContact O-CB 3.48Å; I21-L24 PolarHBondContact O-N 3.29Å; I21-I25 WeakPolarHBondContact O-CG1 3.41Å; I21-I25 PolarHBondContact O-N 2.85Å; I21-W44 HydrophobicContact CD1-CE3 4.24Å; I21-W44 HydrophobicContact CD1-CH2 3.9Å; I21-W44 HydrophobicContact CD1-CZ3 3.44Å; I21-W44 VanDerWaalsContact CD1-CZ3 3.44Å; I21-W44 HydrophobicContact CG1-CH2 3.76Å; I21-W44 HydrophobicContact CG1-CZ3 3.67Å; I21-F71 HydrophobicContact CB-CD2 4.31Å; I21-F71 HydrophobicContact CD1-CB 3.6Å; I21-F71 HydrophobicContact CD1-CD2 3.81Å; I21-F71 HydrophobicContact CD1-CG 4.15Å; I21-F71 HydrophobicContact CG1-CD2 3.99Å; I21-F71 HydrophobicContact CG2-CD2 3.49Å; I21-F71 VanDerWaalsContact CG2-CD2 3.49Å; I21-F71 HydrophobicContact CG2-CE2 3.7Å; I21-F71 HydrophobicContact CG2-CG 4.34Å; I21-E74 HydrophobicContact CG2-CB 4.24Å; I21-E74 HydrophobicContact CG2-CG 4.34Å; I21-E74 PolarHBondContact N-OE1 3.44Å
22	N	78.9	Confident	85.4	Confident	67 Å²	67	52.4 Å²	52.4	36%	0.358	29%	0.288	S	S	.	.	H	α-helix	trans	-60.6	-40	172	-69	-26.2	0	0	0	111.2	R20 I25 A26	R20-N22 VanDerWaalsContact C-N 3.25Å; R20-N22 PolarHBondContact O-N 3.12Å; N22-I25 PolarHBondContact O-N 3.3Å; N22-A26 PolarHBondContact O-N 2.86Å
23	D	86.1	Confident	85.2	Confident	71 Å²	71	56.2 Å²	56.2	38%	0.38	31%	0.306	S	S	.	.	H	α-helix	trans	-70	-36.2	177	-54.1	-43.5	0	0	0	111.1	L19 R20 I21 A26 L27	L19-D23 HydrophobicContact CB-CB 4.33Å; R20-D23 WeakPolarHBondContact CB-OD2 3.28Å; R20-D23 PolarHBondContact N-OD2 2.93Å; R20-D23 IonicContact NE-OD2 2.66Å; R20-D23 WeakPolarHBondContact O-CA 3.42Å; R20-D23 WeakPolarHBondContact O-CB 3.42Å; R20-D23 PolarHBondContact O-N 3Å; I21-D23 VanDerWaalsContact C-N 3.28Å; I21-D23 PolarHBondContact O-N 3.46Å; D23-A26 PolarHBondContact O-N 3.14Å; D23-L27 WeakPolarHBondContact O-CB 3.41Å; D23-L27 PolarHBondContact O-N 3.13Å
24	L	85.7	Confident	85.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65	-41.1	174.6	-66	179.4	0	0	0	112.5	C16 L19 R20 I21 A26 L27 C28 L38 Y43 W44	C16-L24 HydrophobicContact CB-CD2 3.52Å; L19-L24 HydrophobicContact CB-CD2 3.86Å; L19-L24 HydrophobicContact CB-CG 4.13Å; L19-L24 HydrophobicContact CD1-CD2 3.94Å; L19-L24 HydrophobicContact CG-CD2 4.46Å; R20-L24 PolarHBondContact O-N 2.5Å; I21-L24 WeakPolarHBondContact O-CB 3.48Å; I21-L24 PolarHBondContact O-N 3.29Å; L24-A26 VanDerWaalsContact C-N 3.35Å; L24-L27 WeakPolarHBondContact O-CB 3.33Å; L24-L27 PolarHBondContact O-N 3.12Å; L24-C28 PolarHBondContact O-N 2.94Å; L24-L38 HydrophobicContact CD2-CD2 4.41Å; L24-L38 WeakPolarHBondContact O-CD1 3.16Å; L24-Y43 HydrophobicContact CD1-CE1 4.34Å; L24-W44 HydrophobicContact CB-CH2 4.04Å; L24-W44 HydrophobicContact CD1-CH2 3.77Å; L24-W44 HydrophobicContact CD1-CZ3 3.88Å
25	I	79	Confident	84.9	Confident	13 Å²	13	52.7 Å²	52.7	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-64	-43.9	175.3	-73.4	164.3	0	0	0	110.2	I21 N22 L27 C28 F71 C252 T255	I21-I25 WeakPolarHBondContact O-CG1 3.41Å; I21-I25 PolarHBondContact O-N 2.85Å; N22-I25 PolarHBondContact O-N 3.3Å; I25-L27 VanDerWaalsContact C-N 3.26Å; I25-L27 PolarHBondContact O-N 2.94Å; I25-C28 WeakPolarHBondContact O-CB 3.36Å; I25-C28 PolarHBondContact O-N 3.19Å; I25-F71 HydrophobicContact CD1-CD2 3.4Å; I25-F71 HydrophobicContact CD1-CE2 3.38Å; I25-C252 HydrophobicContact CD1-CB 4.36Å; I25-T255 HydrophobicContact CG2-CG2 3.94Å; I25-T255 WeakPolarHBondContact CG2-OG1 3.36Å
26	A	83.7	Confident	84.7	Confident	56 Å²	56	54.8 Å²	54.8	46%	0.463	29%	0.294	S	S	.	.	H	α-helix	trans	-59.8	-39.1	174.3	0	0	0	0	0	111.5	N22 D23 L24 C28 S29 V30	N22-A26 PolarHBondContact O-N 2.86Å; D23-A26 PolarHBondContact O-N 3.14Å; L24-A26 VanDerWaalsContact C-N 3.35Å; A26-C28 VanDerWaalsContact C-N 3.28Å; A26-C28 PolarHBondContact O-N 3.16Å; A26-S29 WeakPolarHBondContact O-CB 3.27Å; A26-S29 PolarHBondContact O-N 2.93Å; A26-V30 PolarHBondContact O-N 2.76Å
27	L	84.8	Confident	84.5	Confident	35 Å²	35	55.6 Å²	55.6	18%	0.183	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-32	179	-166.5	63.6	0	0	0	113.1	F12 L19 D23 L24 I25 S29 V30 F34 L38	F12-L27 HydrophobicContact CE2-CD2 3.95Å; F12-L27 HydrophobicContact CZ-CD2 3.79Å; L19-L27 HydrophobicContact CD1-CD2 4.43Å; D23-L27 WeakPolarHBondContact O-CB 3.41Å; D23-L27 PolarHBondContact O-N 3.13Å; L24-L27 WeakPolarHBondContact O-CB 3.33Å; L24-L27 PolarHBondContact O-N 3.12Å; I25-L27 VanDerWaalsContact C-N 3.26Å; I25-L27 PolarHBondContact O-N 2.94Å; L27-S29 PolarHBondContact O-N 3.27Å; L27-V30 PolarHBondContact O-N 2.95Å; L27-F34 HydrophobicContact CD1-CD2 3.46Å; L27-F34 VanDerWaalsContact CD1-CD2 3.46Å; L27-F34 HydrophobicContact CD1-CE2 3.78Å; L27-F34 HydrophobicContact CD1-CG 4.41Å; L27-F34 HydrophobicContact CD2-CD2 4.3Å; L27-F34 HydrophobicContact CG-CB 4.14Å; L27-F34 HydrophobicContact CG-CD2 3.67Å; L27-F34 HydrophobicContact CG-CE2 4.4Å; L27-F34 HydrophobicContact CG-CG 4.17Å; L27-L38 HydrophobicContact CB-CD1 4.19Å; L27-L38 HydrophobicContact CD2-CD1 4.19Å; L27-L38 HydrophobicContact CG-CD1 4.37Å
28	C	82.4	Confident	84.5	Confident	6 Å²	6	54.8 Å²	54.8	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-29.3	172.1	-69.6	0	0	0	0	112.8	L24 I25 A26 C35 L38	L24-C28 PolarHBondContact O-N 2.94Å; I25-C28 WeakPolarHBondContact O-CB 3.36Å; I25-C28 PolarHBondContact O-N 3.19Å; A26-C28 VanDerWaalsContact C-N 3.28Å; A26-C28 PolarHBondContact O-N 3.16Å; C28-C35 VanDerWaalsContact O-CB 3.27Å; C28-C35 WeakPolarHBondContact O-CB 3.49Å; C28-C35 PolarHBondContact O-SG 3.04Å; C28-L38 VanDerWaalsContact SG-CB 3.52Å; C28-L38 VanDerWaalsContact SG-CD1 3.59Å
29	S	81.3	Confident	84.2	Confident	85 Å²	85	52.4 Å²	52.4	59%	0.594	28%	0.281	S	S	*	.	H	α-helix	trans	-85.9	-14.4	-179.9	-56.1	0	0	0	0	113.3	A26 L27	A26-S29 WeakPolarHBondContact O-CB 3.27Å; A26-S29 PolarHBondContact O-N 2.93Å; L27-S29 PolarHBondContact O-N 3.27Å
30	V	85.2	Confident	84	Confident	109 Å²	109	54.1 Å²	54.1	66%	0.661	28%	0.284	S	S	*	.	H	α-helix	trans	-81.7	-38.2	-176	176.4	0	0	0	0	112.1	A26 L27	A26-V30 PolarHBondContact O-N 2.76Å; L27-V30 PolarHBondContact O-N 2.95Å
31	C	83.4	Confident	84.2	Confident	27 Å²	27	51.4 Å²	51.4	18%	0.182	28%	0.277	C	S	.	.			trans	-149.7	137.1	-173.9	-177.2	0	0	0	0	112.2	Q33 F34 C35	C31-Q33 VanDerWaalsContact C-N 3.26Å; C31-Q33 PolarHBondContact O-N 2.92Å; C31-F34 HydrophobicContact CB-CB 4.29Å; C31-F34 HydrophobicContact CB-CD2 3.67Å; C31-F34 HydrophobicContact CB-CE2 4.15Å; C31-F34 HydrophobicContact CB-CG 3.99Å; C31-F34 PolarHBondContact O-N 2.93Å; C31-C35 WeakPolarHBondContact O-CB 3.46Å; C31-C35 PolarHBondContact O-N 2.75Å
32	A	85.2	Confident	84.4	Confident	85 Å²	85	54.5 Å²	54.5	70%	0.702	30%	0.299	S	S	*	.	H	α-helix	trans	-58.2	-35.8	177	0	0	0	0	0	113.1	C35 Y36	A32-C35 WeakPolarHBondContact O-CB 3.29Å; A32-C35 PolarHBondContact O-N 3.27Å; A32-Y36 WeakPolarHBondContact O-CB 3.43Å; A32-Y36 PolarHBondContact O-N 2.9Å
33	Q	86.1	Confident	84.8	Confident	82 Å²	82	51.5 Å²	51.5	38%	0.383	28%	0.283	S	S	.	.	H	α-helix	trans	-66	-46.3	177.6	-172.7	68.5	5.3	0	0	111.7	C31 C35 Y36 W37	C31-Q33 VanDerWaalsContact C-N 3.26Å; C31-Q33 PolarHBondContact O-N 2.92Å; Q33-C35 VanDerWaalsContact C-N 3.33Å; Q33-Y36 PolarHBondContact O-N 2.75Å; Q33-W37 HydrophobicContact CG-CD2 4.14Å; Q33-W37 HydrophobicContact CG-CE3 4.28Å; Q33-W37 HydrophobicContact CG-CH2 4.11Å; Q33-W37 HydrophobicContact CG-CZ2 3.94Å; Q33-W37 HydrophobicContact CG-CZ3 4.27Å; Q33-W37 VanDerWaalsContact NE2-NE1 3.17Å; Q33-W37 PolarHBondContact O-N 2.85Å
34	F	87.6	Confident	84.9	Confident	19 Å²	19	48.3 Å²	48.3	8%	0.083	27%	0.265	C	S	.	.	H	α-helix	trans	-65	-41.1	176.8	-60.9	-19.6	0	0	0	111.1	I4 F12 L27 C31 Y36 W37 L38	I4-F34 HydrophobicContact CB-CZ 4.15Å; I4-F34 HydrophobicContact CG2-CE1 4.04Å; I4-F34 HydrophobicContact CG2-CZ 3.61Å; F12-F34 HydrophobicContact CD2-CD1 4.01Å; F12-F34 AromaticContact CD2-CE1 3.88Å; F12-F34 HydrophobicContact CD2-CE1 3.88Å; F12-F34 HydrophobicContact CE2-CB 4.44Å; F12-F34 AromaticContact CE2-CD1 3.26Å; F12-F34 HydrophobicContact CE2-CD1 3.26Å; F12-F34 HydrophobicContact CE2-CD2 4.37Å; F12-F34 AromaticContact CE2-CE1 3.44Å; F12-F34 HydrophobicContact CE2-CE1 3.44Å; F12-F34 VanDerWaalsContact CE2-CE1 3.44Å; F12-F34 AromaticContact CE2-CG 3.78Å; F12-F34 HydrophobicContact CE2-CG 3.78Å; F12-F34 HydrophobicContact CE2-CZ 4.08Å; F12-F34 HydrophobicContact CZ-CB 3.97Å; F12-F34 AromaticContact CZ-CD1 3.57Å; F12-F34 HydrophobicContact CZ-CD1 3.57Å; F12-F34 HydrophobicContact CZ-CE1 4.22Å; F12-F34 AromaticContact CZ-CG 3.82Å; F12-F34 HydrophobicContact CZ-CG 3.82Å; L27-F34 HydrophobicContact CD1-CD2 3.46Å; L27-F34 VanDerWaalsContact CD1-CD2 3.46Å; L27-F34 HydrophobicContact CD1-CE2 3.78Å; L27-F34 HydrophobicContact CD1-CG 4.41Å; L27-F34 HydrophobicContact CD2-CD2 4.3Å; L27-F34 HydrophobicContact CG-CB 4.14Å; L27-F34 HydrophobicContact CG-CD2 3.67Å; L27-F34 HydrophobicContact CG-CE2 4.4Å; L27-F34 HydrophobicContact CG-CG 4.17Å; C31-F34 HydrophobicContact CB-CB 4.29Å; C31-F34 HydrophobicContact CB-CD2 3.67Å; C31-F34 HydrophobicContact CB-CE2 4.15Å; C31-F34 HydrophobicContact CB-CG 3.99Å; C31-F34 PolarHBondContact O-N 2.93Å; F34-Y36 VanDerWaalsContact C-N 3.34Å; F34-Y36 PolarHBondContact O-N 2.8Å; F34-W37 HydrophobicContact CD1-CE3 4.08Å; F34-W37 HydrophobicContact CD1-CZ3 4.23Å; F34-W37 HydrophobicContact CE1-CZ3 4.26Å; F34-W37 PolarHBondContact O-N 2.87Å; F34-L38 VanDerWaalsContact O-CB 3.3Å; F34-L38 WeakPolarHBondContact O-CB 3.23Å; F34-L38 WeakPolarHBondContact O-CG 3.04Å; F34-L38 PolarHBondContact O-N 3.18Å
35	C	84.4	Confident	85.1	Confident	6 Å²	6	52.6 Å²	52.6	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-55.7	-49.2	172.1	-160	0	0	0	0	111.1	C28 C31 A32 Q33 W37 L38 R39	C28-C35 VanDerWaalsContact O-CB 3.27Å; C28-C35 WeakPolarHBondContact O-CB 3.49Å; C28-C35 PolarHBondContact O-SG 3.04Å; C31-C35 WeakPolarHBondContact O-CB 3.46Å; C31-C35 PolarHBondContact O-N 2.75Å; A32-C35 WeakPolarHBondContact O-CB 3.29Å; A32-C35 PolarHBondContact O-N 3.27Å; Q33-C35 VanDerWaalsContact C-N 3.33Å; C35-W37 PolarHBondContact O-N 2.85Å; C35-L38 PolarHBondContact O-N 3.3Å; C35-R39 WeakPolarHBondContact O-CB 3.47Å; C35-R39 WeakPolarHBondContact O-CG 3.4Å; C35-R39 PolarHBondContact O-N 2.89Å; C35-R39 PolarHBondContact SG-NE 3.08Å; C35-R39 PolarHBondContact SG-NH2 3.12Å
36	Y	85.4	Confident	85.5	Confident	125 Å²	125	55.9 Å²	55.9	49%	0.49	30%	0.296	S	S	.	.	H	α-helix	trans	-60.5	-44.8	178.1	176.3	-100.8	0	0	0	112.5	A32 Q33 F34 R40	A32-Y36 WeakPolarHBondContact O-CB 3.43Å; A32-Y36 PolarHBondContact O-N 2.9Å; Q33-Y36 PolarHBondContact O-N 2.75Å; F34-Y36 VanDerWaalsContact C-N 3.34Å; F34-Y36 PolarHBondContact O-N 2.8Å; Y36-R40 PolarHBondContact OH-NH2 3.25Å
37	W	85.4	Confident	85.7	Confident	18 Å²	18	53.4 Å²	53.4	7%	0.068	27%	0.274	C	S	.	.	H	α-helix	trans	-67.6	-41.5	178.6	-71.3	-17.6	0	0	0	113.2	L7 Q9 F12 Y13 Q33 F34 C35 R39 R40	L7-W37 WeakPolarHBondContact O-CH2 3.46Å; Q9-W37 HydrophobicContact CB-CZ2 4.37Å; Q9-W37 HydrophobicContact CG-CD2 4.34Å; Q9-W37 HydrophobicContact CG-CG 4.32Å; F12-W37 HydrophobicContact CB-CE3 3.99Å; F12-W37 HydrophobicContact CB-CZ3 3.73Å; F12-W37 HydrophobicContact CD1-CB 4.3Å; F12-W37 HydrophobicContact CD1-CD2 4.21Å; F12-W37 AromaticContact CD1-CE3 3.34Å; F12-W37 HydrophobicContact CD1-CE3 3.34Å; F12-W37 AromaticContact CD1-CZ3 3.97Å; F12-W37 HydrophobicContact CD1-CZ3 3.97Å; F12-W37 AromaticContact CD2-CE3 3.92Å; F12-W37 HydrophobicContact CD2-CE3 3.92Å; F12-W37 AromaticContact CD2-CZ3 3.84Å; F12-W37 HydrophobicContact CD2-CZ3 3.84Å; F12-W37 HydrophobicContact CE1-CB 4.02Å; F12-W37 HydrophobicContact CE1-CD2 4.5Å; F12-W37 AromaticContact CE1-CE3 3.7Å; F12-W37 HydrophobicContact CE1-CE3 3.7Å; F12-W37 HydrophobicContact CE2-CE3 4.23Å; F12-W37 HydrophobicContact CE2-CZ3 4.45Å; F12-W37 AromaticContact CG-CE3 3.46Å; F12-W37 HydrophobicContact CG-CE3 3.46Å; F12-W37 VanDerWaalsContact CG-CE3 3.46Å; F12-W37 AromaticContact CG-CZ3 3.56Å; F12-W37 HydrophobicContact CG-CZ3 3.56Å; F12-W37 HydrophobicContact CZ-CE3 4.12Å; Y13-W37 HydrophobicContact CE1-CB 4.01Å; Y13-W37 PolarHBondContact OH-O 2.86Å; Q33-W37 HydrophobicContact CG-CD2 4.14Å; Q33-W37 HydrophobicContact CG-CE3 4.28Å; Q33-W37 HydrophobicContact CG-CH2 4.11Å; Q33-W37 HydrophobicContact CG-CZ2 3.94Å; Q33-W37 HydrophobicContact CG-CZ3 4.27Å; Q33-W37 VanDerWaalsContact NE2-NE1 3.17Å; Q33-W37 PolarHBondContact O-N 2.85Å; F34-W37 HydrophobicContact CD1-CE3 4.08Å; F34-W37 HydrophobicContact CD1-CZ3 4.23Å; F34-W37 HydrophobicContact CE1-CZ3 4.26Å; F34-W37 PolarHBondContact O-N 2.87Å; C35-W37 PolarHBondContact O-N 2.85Å; W37-R39 VanDerWaalsContact C-N 3.34Å; W37-R40 PolarHBondContact O-N 3.06Å
38	L	86.3	Confident	85.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-79.4	-13.1	179.7	-67.6	173.2	0	0	0	113	F12 L24 L27 C28 F34 C35 R40 Y43 W44	F12-L38 HydrophobicContact CE1-CD2 4.18Å; F12-L38 HydrophobicContact CE1-CG 4.13Å; F12-L38 HydrophobicContact CZ-CD1 4.43Å; F12-L38 HydrophobicContact CZ-CG 4.35Å; L24-L38 HydrophobicContact CD2-CD2 4.41Å; L24-L38 WeakPolarHBondContact O-CD1 3.16Å; L27-L38 HydrophobicContact CB-CD1 4.19Å; L27-L38 HydrophobicContact CD2-CD1 4.19Å; L27-L38 HydrophobicContact CG-CD1 4.37Å; C28-L38 VanDerWaalsContact SG-CB 3.52Å; C28-L38 VanDerWaalsContact SG-CD1 3.59Å; F34-L38 VanDerWaalsContact O-CB 3.3Å; F34-L38 WeakPolarHBondContact O-CB 3.23Å; F34-L38 WeakPolarHBondContact O-CG 3.04Å; F34-L38 PolarHBondContact O-N 3.18Å; C35-L38 PolarHBondContact O-N 3.3Å; L38-R40 VanDerWaalsContact C-N 3.26Å; L38-R40 PolarHBondContact O-N 3.1Å; L38-Y43 HydrophobicContact CD2-CD1 3.82Å; L38-Y43 HydrophobicContact CD2-CE1 3.5Å; L38-W44 PolarHBondContact O-NE1 3.22Å
39	R	81.9	Confident	85.9	Confident	97 Å²	97	57.1 Å²	57.1	37%	0.366	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-17.3	170	-80.6	172.2	-163.8	-153.4	8	113.7	C35 W37 Q41 C259	C35-R39 WeakPolarHBondContact O-CB 3.47Å; C35-R39 WeakPolarHBondContact O-CG 3.4Å; C35-R39 PolarHBondContact O-N 2.89Å; C35-R39 PolarHBondContact SG-NE 3.08Å; C35-R39 PolarHBondContact SG-NH2 3.12Å; W37-R39 VanDerWaalsContact C-N 3.34Å; R39-Q41 PolarHBondContact O-N 2.89Å; R39-C259 PolarHBondContact NH1-O 3.33Å; R39-C259 VanDerWaalsContact NH2-C 3.31Å; R39-C259 VanDerWaalsContact NH2-CB 3.28Å; R39-C259 PolarHBondContact NH2-O 3.25Å
40	R	85.5	Confident	86.1	Confident	94 Å²	94	56.7 Å²	56.7	36%	0.355	29%	0.286	S	S	.	.			trans	-71.9	119.9	-176.6	-67.9	-170.3	173.8	-172.1	0.1	111	Y36 W37 L38 S42 Y43	Y36-R40 PolarHBondContact OH-NH2 3.25Å; W37-R40 PolarHBondContact O-N 3.06Å; L38-R40 VanDerWaalsContact C-N 3.26Å; L38-R40 PolarHBondContact O-N 3.1Å; R40-S42 PolarHBondContact O-N 2.94Å; R40-S42 VanDerWaalsContact O-N 3.13Å; R40-Y43 PolarHBondContact O-N 2.95Å; R40-Y43 VanDerWaalsContact O-N 3.1Å
41	Q	86.1	Confident	85.9	Confident	79 Å²	79	53.4 Å²	53.4	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-56.3	-28.5	174.9	-67.4	-67.8	-33.8	0	0	112.9	R39 Y43 W44 K45 D65 W66	R39-Q41 PolarHBondContact O-N 2.89Å; Q41-Y43 PolarHBondContact O-N 2.88Å; Q41-W44 PolarHBondContact O-N 2.99Å; Q41-K45 WeakPolarHBondContact O-CB 3.31Å; Q41-K45 PolarHBondContact O-N 3.26Å; Q41-D65 PolarHBondContact NE2-OD1 2.98Å; Q41-W66 VanDerWaalsContact OE1-CB 3.26Å
42	S	87.7	Confident	85.9	Confident	71 Å²	71	53.5 Å²	53.5	50%	0.497	26%	0.261	S	S	.	.	H	α-helix	trans	-62.4	-37.9	176.8	58.2	0	0	0	0	113.4	R40 W46	R40-S42 PolarHBondContact O-N 2.94Å; R40-S42 VanDerWaalsContact O-N 3.13Å; S42-W46 WeakPolarHBondContact O-CB 3.26Å; S42-W46 PolarHBondContact O-N 2.95Å
43	Y	88.2	Confident	85.6	Confident	3 Å²	3	53 Å²	53	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-66.1	-48.3	177.7	166.5	-106.9	0	0	0	110.9	Y13 C16 L24 L38 R40 Q41 K45 W46 R47	Y13-Y43 AromaticContact CD1-CD2 3.25Å; Y13-Y43 HydrophobicContact CD1-CD2 3.25Å; Y13-Y43 AromaticContact CD1-CE2 3.68Å; Y13-Y43 HydrophobicContact CD1-CE2 3.68Å; Y13-Y43 AromaticContact CD1-CG 3.79Å; Y13-Y43 HydrophobicContact CD1-CG 3.79Å; Y13-Y43 HydrophobicContact CD2-CD2 4Å; Y13-Y43 AromaticContact CE1-CD2 3.69Å; Y13-Y43 HydrophobicContact CE1-CD2 3.69Å; Y13-Y43 HydrophobicContact CE1-CE2 4.44Å; Y13-Y43 AromaticContact CE1-CG 3.72Å; Y13-Y43 HydrophobicContact CE1-CG 3.72Å; Y13-Y43 HydrophobicContact CE2-CD2 4.37Å; Y13-Y43 AromaticContact CG-CD2 3.42Å; Y13-Y43 HydrophobicContact CG-CD2 3.42Å; Y13-Y43 VanDerWaalsContact CG-CD2 3.42Å; Y13-Y43 AromaticContact CG-CE2 3.91Å; Y13-Y43 HydrophobicContact CG-CE2 3.91Å; Y13-Y43 HydrophobicContact CG-CG 4.28Å; C16-Y43 HydrophobicContact CB-CE2 4.23Å; C16-Y43 WeakPolarHBondContact CB-OH 3.24Å; C16-Y43 PolarHBondContact O-OH 3.05Å; L24-Y43 HydrophobicContact CD1-CE1 4.34Å; L38-Y43 HydrophobicContact CD2-CD1 3.82Å; L38-Y43 HydrophobicContact CD2-CE1 3.5Å; R40-Y43 PolarHBondContact O-N 2.95Å; R40-Y43 VanDerWaalsContact O-N 3.1Å; Q41-Y43 PolarHBondContact O-N 2.88Å; Y43-K45 VanDerWaalsContact C-N 3.33Å; Y43-K45 PolarHBondContact O-N 3.33Å; Y43-W46 HydrophobicContact CD2-CE3 4.13Å; Y43-W46 HydrophobicContact CE2-CE3 4.11Å; Y43-W46 HydrophobicContact CE2-CZ3 4.1Å; Y43-W46 PolarHBondContact O-N 2.9Å; Y43-R47 WeakPolarHBondContact O-CB 3.45Å; Y43-R47 PolarHBondContact O-N 2.78Å; Y43-R47 PolarHBondContact OH-NH1 2.72Å
44	W	88.3	Confident	85.5	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.015	25%	0.25	C	C	.	.	H	α-helix	trans	-64.9	-38.2	179.6	-64.5	108.5	0	0	0	112.4	I21 L24 L38 Q41 R47 S48 W66 A67 S70	I21-W44 HydrophobicContact CD1-CE3 4.24Å; I21-W44 HydrophobicContact CD1-CH2 3.9Å; I21-W44 HydrophobicContact CD1-CZ3 3.44Å; I21-W44 VanDerWaalsContact CD1-CZ3 3.44Å; I21-W44 HydrophobicContact CG1-CH2 3.76Å; I21-W44 HydrophobicContact CG1-CZ3 3.67Å; L24-W44 HydrophobicContact CB-CH2 4.04Å; L24-W44 HydrophobicContact CD1-CH2 3.77Å; L24-W44 HydrophobicContact CD1-CZ3 3.88Å; L38-W44 PolarHBondContact O-NE1 3.22Å; Q41-W44 PolarHBondContact O-N 2.99Å; W44-R47 PolarHBondContact O-N 2.97Å; W44-S48 VanDerWaalsContact O-CB 3.24Å; W44-S48 WeakPolarHBondContact O-CB 2.96Å; W44-S48 PolarHBondContact O-N 3.21Å; W44-W66 HydrophobicContact CB-CB 3.56Å; W44-A67 HydrophobicContact CD2-CB 4.15Å; W44-A67 HydrophobicContact CG-CB 3.96Å; W44-S70 PolarHBondContact O-OG 2.91Å
45	K	88.7	Confident	85.5	Confident	90 Å²	90	54 Å²	54	39%	0.391	27%	0.272	S	S	.	.	H	α-helix	trans	-58.3	-50.7	170.9	-177.2	176	179.8	-175.6	0	111.5	Q41 Y43 S48 Q49 W66	Q41-K45 WeakPolarHBondContact O-CB 3.31Å; Q41-K45 PolarHBondContact O-N 3.26Å; Y43-K45 VanDerWaalsContact C-N 3.33Å; Y43-K45 PolarHBondContact O-N 3.33Å; K45-S48 PolarHBondContact O-N 3.32Å; K45-Q49 VanDerWaalsContact O-CG 3.27Å; K45-Q49 WeakPolarHBondContact O-CG 3.1Å; K45-Q49 PolarHBondContact O-N 3.3Å; K45-W66 HydrophobicContact CB-CD2 3.62Å; K45-W66 HydrophobicContact CB-CE3 3.94Å; K45-W66 HydrophobicContact CB-CG 3.88Å; K45-W66 HydrophobicContact CB-CZ2 4.38Å; K45-W66 HydrophobicContact CB-CZ3 4.39Å; K45-W66 HydrophobicContact CD-CH2 4.41Å; K45-W66 HydrophobicContact CD-CZ2 3.85Å; K45-W66 HydrophobicContact CG-CD2 3.92Å; K45-W66 HydrophobicContact CG-CE3 4.09Å; K45-W66 HydrophobicContact CG-CH2 3.89Å; K45-W66 HydrophobicContact CG-CZ2 3.75Å; K45-W66 HydrophobicContact CG-CZ3 4.04Å
46	W	87.4	Confident	85.6	Confident	82 Å²	82	54.8 Å²	54.8	31%	0.311	28%	0.275	S	S	.	.	H	α-helix	trans	-59.5	-49.1	177.5	173.6	80	0	0	0	111.8	Q14 S42 Y43 S48 Q49 C50	Q14-W46 VanDerWaalsContact NE2-CH2 3.29Å; S42-W46 WeakPolarHBondContact O-CB 3.26Å; S42-W46 PolarHBondContact O-N 2.95Å; Y43-W46 HydrophobicContact CD2-CE3 4.13Å; Y43-W46 HydrophobicContact CE2-CE3 4.11Å; Y43-W46 HydrophobicContact CE2-CZ3 4.1Å; Y43-W46 PolarHBondContact O-N 2.9Å; W46-S48 VanDerWaalsContact C-N 3.34Å; W46-S48 PolarHBondContact O-N 2.79Å; W46-Q49 PolarHBondContact O-N 3.37Å; W46-Q49 VanDerWaalsContact O-N 3.17Å; W46-C50 PolarHBondContact NE1-SG 2.82Å; W46-C50 VanDerWaalsContact NE1-SG 3.38Å; W46-C50 PolarHBondContact O-N 2.84Å; W46-C50 PolarHBondContact O-SG 2.84Å; W46-C50 VanDerWaalsContact O-SG 3.39Å
47	R	89.4	Confident	85.7	Confident	5 Å²	5	49.9 Å²	49.9	2%	0.019	26%	0.258	C	S	.	.	H	α-helix	trans	-56	-48.2	176.8	-178.8	-176.1	178	87.1	0.1	111.3	C16 S17 L19 Y43 W44 Q49 C50 L51 E74	C16-R47 PolarHBondContact O-NH1 2.85Å; S17-R47 VanDerWaalsContact CA-NH1 3.29Å; S17-R47 PolarHBondContact O-NH1 2.78Å; L19-R47 PolarHBondContact O-NH2 2.93Å; Y43-R47 WeakPolarHBondContact O-CB 3.45Å; Y43-R47 PolarHBondContact O-N 2.78Å; Y43-R47 PolarHBondContact OH-NH1 2.72Å; W44-R47 PolarHBondContact O-N 2.97Å; R47-Q49 VanDerWaalsContact C-N 3.27Å; R47-Q49 PolarHBondContact O-N 3.29Å; R47-C50 PolarHBondContact O-N 2.79Å; R47-L51 HydrophobicContact CG-CD1 3.61Å; R47-L51 HydrophobicContact CG-CG 4.12Å; R47-L51 WeakPolarHBondContact O-CB 3.31Å; R47-L51 WeakPolarHBondContact O-CG 3.12Å; R47-L51 PolarHBondContact O-N 2.83Å; R47-E74 IonicContact CZ-OE2 3.71Å; R47-E74 IonicContact NE-OE2 3.55Å; R47-E74 PolarHBondContact NE-OE2 2.74Å; R47-E74 IonicContact NH2-OE1 3.86Å; R47-E74 IonicContact NH2-OE2 3.34Å; R47-E74 PolarHBondContact NH2-OE2 2.95Å
48	S	85.6	Confident	85.7	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-37	-179.7	-162.2	0	0	0	0	112.5	W44 K45 W46 W52 R73	W44-S48 VanDerWaalsContact O-CB 3.24Å; W44-S48 WeakPolarHBondContact O-CB 2.96Å; W44-S48 PolarHBondContact O-N 3.21Å; K45-S48 PolarHBondContact O-N 3.32Å; W46-S48 VanDerWaalsContact C-N 3.34Å; W46-S48 PolarHBondContact O-N 2.79Å; S48-W52 PolarHBondContact O-N 3.39Å; S48-R73 PolarHBondContact OG-NH1 2.84Å
49	Q	85.1	Confident	85.8	Confident	117 Å²	117	49.1 Å²	49.1	55%	0.547	26%	0.256	S	S	.	.	H	α-helix	trans	-75.7	-30.6	176.8	-70.4	176.3	-24.8	0	0	113.1	K45 W46 R47	K45-Q49 VanDerWaalsContact O-CG 3.27Å; K45-Q49 WeakPolarHBondContact O-CG 3.1Å; K45-Q49 PolarHBondContact O-N 3.3Å; W46-Q49 PolarHBondContact O-N 3.37Å; W46-Q49 VanDerWaalsContact O-N 3.17Å; R47-Q49 VanDerWaalsContact C-N 3.27Å; R47-Q49 PolarHBondContact O-N 3.29Å
50	C	84.4	Confident	85.9	Confident	76 Å²	76	47.8 Å²	47.8	51%	0.514	26%	0.26	S	S	.	.	H	α-helix	trans	-79.5	-39.3	177.9	-72.8	0	0	0	0	113.1	W46 R47	W46-C50 PolarHBondContact NE1-SG 2.82Å; W46-C50 VanDerWaalsContact NE1-SG 3.38Å; W46-C50 PolarHBondContact O-N 2.84Å; W46-C50 PolarHBondContact O-SG 2.84Å; W46-C50 VanDerWaalsContact O-SG 3.39Å; R47-C50 PolarHBondContact O-N 2.79Å
51	L	82.2	Confident	85.8	Confident	40 Å²	40	51.4 Å²	51.4	21%	0.209	28%	0.28	C	S	.	.	H	α-helix	trans	-79.7	-36.8	-174.2	-70.3	-178.8	0	0	0	113.1	R47	R47-L51 HydrophobicContact CG-CD1 3.61Å; R47-L51 HydrophobicContact CG-CG 4.12Å; R47-L51 WeakPolarHBondContact O-CB 3.31Å; R47-L51 WeakPolarHBondContact O-CG 3.12Å; R47-L51 PolarHBondContact O-N 2.83Å
52	W	83.7	Confident	85.7	Confident	29 Å²	29	48.3 Å²	48.3	11%	0.11	27%	0.266	C	S	.	.	S	Bend	trans	-126.7	134.7	-172.1	-54.8	-68.9	0	0	0	111.9	S48 R73 E74 C77 H451	S48-W52 PolarHBondContact O-N 3.39Å; W52-R73 HydrophobicContact CE3-CB 4.41Å; W52-R73 HydrophobicContact CH2-CB 4.31Å; W52-R73 HydrophobicContact CZ3-CB 4.2Å; W52-E74 HydrophobicContact CH2-CB 3.74Å; W52-E74 HydrophobicContact CH2-CG 4.34Å; W52-E74 HydrophobicContact CZ2-CB 3.71Å; W52-E74 HydrophobicContact CZ2-CG 4.02Å; W52-C77 PolarHBondContact NE1-SG 3.46Å; W52-H451 AromaticContact CD1-CE1 3.63Å
53	S	78.4	Confident	85.6	Confident	75 Å²	75	49.4 Å²	49.4	52%	0.524	27%	0.265	S	S	.	.			trans	-77.2	158.4	175.2	81.5	0	0	0	0	111.9	K457	S53-K457 WeakPolarHBondContact OG-CD 2.85Å; S53-K457 PolarHBondContact OG-NZ 3.29Å
54	G	83	Confident	85.4	Confident	31 Å²	31	50.3 Å²	50.3	32%	0.32	27%	0.27	S	S	.	.	S	Bend	trans	104.9	153.7	176.8	0	0	0	0	0	112.6	Y56 K457	G54-Y56 PolarHBondContact O-N 3.35Å; G54-K457 VanDerWaalsContact N-NZ 3.16Å
55	T	87.9	Confident	85.2	Confident	90 Å²	90	53.4 Å²	53.4	55%	0.552	29%	0.287	S	S	*	.	B	Isolated β-bridge	trans	-76.6	114.8	-179.2	-55.8	0	0	0	0	109.1	T453 N454	T55-T453 WeakPolarHBondContact O-CA 3.33Å; T55-N454 WeakPolarHBondContact CB-O 3.38Å; T55-N454 PolarHBondContact N-O 2.7Å; T55-N454 PolarHBondContact O-N 2.82Å; T55-N454 PolarHBondContact OG1-O 2.93Å
56	Y	87.7	Confident	85.1	Confident	23 Å²	23	50.5 Å²	50.5	9%	0.09	27%	0.273	C	S	.	.	S	Bend	trans	-127.6	135.2	173.6	-171.4	-95.1	0	0	0	109.7	G54 I64 W66 A69 P452	G54-Y56 PolarHBondContact O-N 3.35Å; Y56-I64 HydrophobicContact CD1-CD1 4.11Å; Y56-I64 HydrophobicContact CE1-CD1 3.52Å; Y56-I64 HydrophobicContact CE1-CG2 4.32Å; Y56-W66 HydrophobicContact CD1-CE3 4.42Å; Y56-W66 HydrophobicContact CD1-CH2 4.02Å; Y56-W66 AromaticContact CD1-CZ3 3.62Å; Y56-W66 HydrophobicContact CD1-CZ3 3.62Å; Y56-W66 HydrophobicContact CE1-CE3 4.48Å; Y56-W66 HydrophobicContact CE1-CZ3 4.08Å; Y56-A69 HydrophobicContact CE1-CB 3.92Å; Y56-A69 VanDerWaalsContact OH-CB 3.3Å; Y56-A69 WeakPolarHBondContact OH-CB 3.34Å; Y56-P452 HydrophobicContact CD2-CG 4.44Å; Y56-P452 VanDerWaalsContact CD2-O 3.26Å; Y56-P452 WeakPolarHBondContact CD2-O 3.38Å; Y56-P452 HydrophobicContact CE2-CG 4.02Å
57	P	87.4	Confident	85	Confident	22 Å²	22	46.8 Å²	46.8	14%	0.143	26%	0.26	C	S	.	.	S	Bend	cis	-56	160.1	-8.3	19.3	-28.6	0	0	0	113.1	L59 K62 I64	P57-L59 VanDerWaalsContact C-N 3.35Å; P57-L59 WeakPolarHBondContact CB-O 3.2Å; P57-L59 VanDerWaalsContact CG-O 3.28Å; P57-L59 WeakPolarHBondContact CG-O 3.43Å; P57-K62 HydrophobicContact CB-CB 4.01Å; P57-K62 HydrophobicContact CB-CD 4.18Å; P57-K62 HydrophobicContact CG-CB 4.06Å; P57-I64 HydrophobicContact CB-CD1 3.35Å; P57-I64 HydrophobicContact CB-CG1 4.35Å; P57-I64 HydrophobicContact CG-CD1 3.55Å
58	C	86	Confident	84.7	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.014	26%	0.263	C	S	.	.	S	Bend	trans	-62.5	-44.8	166.6	-169.3	0	0	0	0	110.8	Y417	C58-Y417 VanDerWaalsContact O-CE2 3.25Å; C58-Y417 WeakPolarHBondContact O-CE2 3.38Å
59	L	88.2	Confident	84.7	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	26%	0.263	C	S	.	.	S	Bend	trans	-83.4	129.3	-179.8	-58.9	-174.5	0	0	0	112.9	P57 K62 Y392 E393 V405 D407 V416	P57-L59 VanDerWaalsContact C-N 3.35Å; P57-L59 WeakPolarHBondContact CB-O 3.2Å; P57-L59 VanDerWaalsContact CG-O 3.28Å; P57-L59 WeakPolarHBondContact CG-O 3.43Å; L59-K62 HydrophobicContact CB-CB 4.03Å; L59-K62 HydrophobicContact CB-CD 4.21Å; L59-K62 HydrophobicContact CD1-CD 4.36Å; L59-K62 WeakPolarHBondContact O-CB 3.48Å; L59-K62 PolarHBondContact O-N 3.2Å; L59-Y392 WeakPolarHBondContact CD1-O 3.35Å; L59-E393 HydrophobicContact CD1-CB 3.7Å; L59-E393 HydrophobicContact CD1-CG 3.85Å; L59-E393 HydrophobicContact CD2-CG 4.46Å; L59-E393 HydrophobicContact CG-CB 4.36Å; L59-E393 HydrophobicContact CG-CG 4Å; L59-V405 HydrophobicContact CD2-CG1 4.04Å; L59-D407 HydrophobicContact CD1-CB 4.19Å; L59-D407 HydrophobicContact CD2-CB 4.02Å; L59-V416 HydrophobicContact CD2-CB 4.3Å; L59-V416 HydrophobicContact CD2-CG2 3.77Å
60	P	82.7	Confident	84.9	Confident	69 Å²	69	41.5 Å²	41.5	45%	0.448	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	143	172.3	-23.7	33.7	0	0	0	112.2	K62 R409	P60-K62 PolarHBondContact O-N 2.9Å; P60-R409 PolarHBondContact O-NH1 2.84Å; P60-R409 PolarHBondContact O-NH2 3.35Å
61	E	83.2	Confident	85	Confident	169 Å²	169	38 Å²	38	79%	0.79	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	16.8	176	-52.5	176.7	177.2	0	0	114.8	I63 R409	E61-I63 PolarHBondContact O-N 3.28Å; E61-R409 PolarHBondContact O-NH1 3.24Å
62	K	85.4	Confident	85.2	Confident	14 Å²	14	36.4 Å²	36.4	6%	0.061	20%	0.204	C	C	.	.			trans	-70.7	120.2	175	-171.1	-175.9	-175.7	-178.4	0	109.5	P57 L59 P60 I64 D390 E393 R409	P57-K62 HydrophobicContact CB-CB 4.01Å; P57-K62 HydrophobicContact CB-CD 4.18Å; P57-K62 HydrophobicContact CG-CB 4.06Å; L59-K62 HydrophobicContact CB-CB 4.03Å; L59-K62 HydrophobicContact CB-CD 4.21Å; L59-K62 HydrophobicContact CD1-CD 4.36Å; L59-K62 WeakPolarHBondContact O-CB 3.48Å; L59-K62 PolarHBondContact O-N 3.2Å; P60-K62 PolarHBondContact O-N 2.9Å; K62-I64 HydrophobicContact CD-CG1 4.25Å; K62-I64 HydrophobicContact CG-CG1 4.16Å; K62-I64 PolarHBondContact O-N 2.9Å; K62-D390 WeakPolarHBondContact CE-OD2 3.28Å; K62-D390 IonicContact NZ-OD1 3.32Å; K62-D390 IonicContact NZ-OD2 3.07Å; K62-D390 PolarHBondContact NZ-OD2 3.05Å; K62-E393 IonicContact NZ-OE2 2.81Å; K62-E393 PolarHBondContact NZ-OE2 2.9Å; K62-R409 VanDerWaalsContact CA-NH1 3.27Å
63	I	84.5	Confident	85.4	Confident	95 Å²	95	35.1 Å²	35.1	49%	0.487	20%	0.199	S	C	.	.			trans	-70.1	122.5	169.8	-56.6	173.4	0	0	0	107.1	E61 P344	E61-I63 PolarHBondContact O-N 3.28Å; I63-P344 HydrophobicContact CD1-CG 3.98Å
64	I	83.6	Confident	85.9	Confident	22 Å²	22	32.2 Å²	32.2	11%	0.113	18%	0.177	C	C	.	.			trans	-126.1	139.8	180	-62.7	164.6	0	0	0	108.1	Y56 P57 K62 W66 A69	Y56-I64 HydrophobicContact CD1-CD1 4.11Å; Y56-I64 HydrophobicContact CE1-CD1 3.52Å; Y56-I64 HydrophobicContact CE1-CG2 4.32Å; P57-I64 HydrophobicContact CB-CD1 3.35Å; P57-I64 HydrophobicContact CB-CG1 4.35Å; P57-I64 HydrophobicContact CG-CD1 3.55Å; K62-I64 HydrophobicContact CD-CG1 4.25Å; K62-I64 HydrophobicContact CG-CG1 4.16Å; K62-I64 PolarHBondContact O-N 2.9Å; I64-W66 HydrophobicContact CD1-CH2 4.48Å; I64-W66 HydrophobicContact CD1-CZ2 4.37Å; I64-W66 PolarHBondContact O-N 2.84Å; I64-A69 HydrophobicContact CG2-CB 3.5Å
65	D	85.5	Confident	86.1	Confident	69 Å²	69	32.3 Å²	32.3	37%	0.369	17%	0.169	S	C	.	.			trans	-74.3	98.6	156.8	177.9	11.4	0	0	0	108.7	Q41 A67 S68 A69	Q41-D65 PolarHBondContact NE2-OD1 2.98Å; D65-A67 PolarHBondContact O-N 3.42Å; D65-A67 WeakPolarHBondContact OD1-CB 3.48Å; D65-A67 PolarHBondContact OD1-N 3.49Å; D65-A67 VanDerWaalsContact OD1-N 3.14Å; D65-S68 PolarHBondContact O-N 3.21Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.32Å; D65-S68 PolarHBondContact OD2-OG 3Å; D65-A69 WeakPolarHBondContact O-CB 3.47Å; D65-A69 PolarHBondContact O-N 3.48Å
66	W	86.4	Confident	86.1	Confident	29 Å²	29	28 Å²	28	11%	0.11	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-27.3	-177.1	-69.6	94	0	0	0	112.4	Q41 W44 K45 Y56 I64 S70	Q41-W66 VanDerWaalsContact OE1-CB 3.26Å; W44-W66 HydrophobicContact CB-CB 3.56Å; K45-W66 HydrophobicContact CB-CD2 3.62Å; K45-W66 HydrophobicContact CB-CE3 3.94Å; K45-W66 HydrophobicContact CB-CG 3.88Å; K45-W66 HydrophobicContact CB-CZ2 4.38Å; K45-W66 HydrophobicContact CB-CZ3 4.39Å; K45-W66 HydrophobicContact CD-CH2 4.41Å; K45-W66 HydrophobicContact CD-CZ2 3.85Å; K45-W66 HydrophobicContact CG-CD2 3.92Å; K45-W66 HydrophobicContact CG-CE3 4.09Å; K45-W66 HydrophobicContact CG-CH2 3.89Å; K45-W66 HydrophobicContact CG-CZ2 3.75Å; K45-W66 HydrophobicContact CG-CZ3 4.04Å; Y56-W66 HydrophobicContact CD1-CE3 4.42Å; Y56-W66 HydrophobicContact CD1-CH2 4.02Å; Y56-W66 AromaticContact CD1-CZ3 3.62Å; Y56-W66 HydrophobicContact CD1-CZ3 3.62Å; Y56-W66 HydrophobicContact CE1-CE3 4.48Å; Y56-W66 HydrophobicContact CE1-CZ3 4.08Å; I64-W66 HydrophobicContact CD1-CH2 4.48Å; I64-W66 HydrophobicContact CD1-CZ2 4.37Å; I64-W66 PolarHBondContact O-N 2.84Å; W66-S70 WeakPolarHBondContact O-CB 3.48Å; W66-S70 PolarHBondContact O-N 2.82Å; W66-S70 PolarHBondContact O-OG 2.84Å
67	A	84.8	Confident	86.2	Confident	4 Å²	4	28.3 Å²	28.3	3%	0.033	15%	0.148	C	C	.	.	H	α-helix	trans	-66.3	-56.9	176.4	0	0	0	0	0	110	W44 D65 A69 S70 F71 M256	W44-A67 HydrophobicContact CD2-CB 4.15Å; W44-A67 HydrophobicContact CG-CB 3.96Å; D65-A67 PolarHBondContact O-N 3.42Å; D65-A67 WeakPolarHBondContact OD1-CB 3.48Å; D65-A67 PolarHBondContact OD1-N 3.49Å; D65-A67 VanDerWaalsContact OD1-N 3.14Å; A67-A69 PolarHBondContact O-N 3.44Å; A67-S70 PolarHBondContact O-N 2.8Å; A67-F71 WeakPolarHBondContact O-CB 3.35Å; A67-F71 PolarHBondContact O-N 3.44Å; A67-M256 HydrophobicContact CB-CE 4.25Å
68	S	83	Confident	86	Confident	12 Å²	12	29.5 Å²	29.5	8%	0.084	15%	0.153	C	C	.	.	H	α-helix	trans	-59.7	-44.1	177.6	-62.1	0	0	0	0	112.2	D65 S70 F71 E72	D65-S68 PolarHBondContact O-N 3.21Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.32Å; D65-S68 PolarHBondContact OD2-OG 3Å; S68-S70 PolarHBondContact O-N 2.78Å; S68-F71 WeakPolarHBondContact O-CB 3.26Å; S68-F71 PolarHBondContact O-N 3.47Å; S68-E72 WeakPolarHBondContact O-CG 3.47Å; S68-E72 PolarHBondContact O-N 2.84Å
69	A	86.8	Confident	86.1	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.5	-42.4	177.5	0	0	0	0	0	112.7	Y56 I64 D65 A67 F71 R73	Y56-A69 HydrophobicContact CE1-CB 3.92Å; Y56-A69 VanDerWaalsContact OH-CB 3.3Å; Y56-A69 WeakPolarHBondContact OH-CB 3.34Å; I64-A69 HydrophobicContact CG2-CB 3.5Å; D65-A69 WeakPolarHBondContact O-CB 3.47Å; D65-A69 PolarHBondContact O-N 3.48Å; A67-A69 PolarHBondContact O-N 3.44Å; A69-F71 VanDerWaalsContact C-N 3.31Å; A69-R73 WeakPolarHBondContact O-CB 3.45Å; A69-R73 WeakPolarHBondContact O-CG 3.33Å; A69-R73 PolarHBondContact O-N 3Å
70	S	88.3	Confident	86.1	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.7	-36.9	177	-58.6	0	0	0	0	111.3	W44 W66 A67 S68 E74	W44-S70 PolarHBondContact O-OG 2.91Å; W66-S70 WeakPolarHBondContact O-CB 3.48Å; W66-S70 PolarHBondContact O-N 2.82Å; W66-S70 PolarHBondContact O-OG 2.84Å; A67-S70 PolarHBondContact O-N 2.8Å; S68-S70 PolarHBondContact O-N 2.78Å; S70-E74 WeakPolarHBondContact O-CB 3.38Å; S70-E74 PolarHBondContact O-N 3.5Å
71	F	86.5	Confident	86.3	Confident	3 Å²	3	26.8 Å²	26.8	1%	0.013	14%	0.137	C	C	.	.	H	α-helix	trans	-60.4	-54.8	174.7	-174.1	-85.5	0	0	0	112.3	I21 I25 A67 S68 A69 R73 E74 K75 S249 N251 C252	I21-F71 HydrophobicContact CB-CD2 4.31Å; I21-F71 HydrophobicContact CD1-CB 3.6Å; I21-F71 HydrophobicContact CD1-CD2 3.81Å; I21-F71 HydrophobicContact CD1-CG 4.15Å; I21-F71 HydrophobicContact CG1-CD2 3.99Å; I21-F71 HydrophobicContact CG2-CD2 3.49Å; I21-F71 VanDerWaalsContact CG2-CD2 3.49Å; I21-F71 HydrophobicContact CG2-CE2 3.7Å; I21-F71 HydrophobicContact CG2-CG 4.34Å; I25-F71 HydrophobicContact CD1-CD2 3.4Å; I25-F71 HydrophobicContact CD1-CE2 3.38Å; A67-F71 WeakPolarHBondContact O-CB 3.35Å; A67-F71 PolarHBondContact O-N 3.44Å; S68-F71 WeakPolarHBondContact O-CB 3.26Å; S68-F71 PolarHBondContact O-N 3.47Å; A69-F71 VanDerWaalsContact C-N 3.31Å; F71-R73 VanDerWaalsContact C-N 3.29Å; F71-R73 PolarHBondContact O-N 3.2Å; F71-E74 PolarHBondContact O-N 2.71Å; F71-K75 HydrophobicContact CE1-CD 3.9Å; F71-K75 VanDerWaalsContact O-CB 3.28Å; F71-K75 WeakPolarHBondContact O-CB 3.36Å; F71-K75 PolarHBondContact O-N 3.43Å; F71-S249 WeakPolarHBondContact CE1-OG 3.48Å; F71-N251 HydrophobicContact CE2-CB 4.26Å; F71-N251 HydrophobicContact CZ-CB 3.84Å; F71-C252 HydrophobicContact CB-CB 4.09Å; F71-C252 HydrophobicContact CD1-CB 4.05Å; F71-C252 HydrophobicContact CD2-CB 3.96Å; F71-C252 HydrophobicContact CE2-CB 4.49Å; F71-C252 HydrophobicContact CG-CB 3.74Å
72	E	86.9	Confident	85.8	Confident	5 Å²	5	23.5 Å²	23.5	2%	0.023	12%	0.121	C	C	.	.	H	α-helix	trans	-62.9	-38.4	-179.1	-68.4	-53.6	139	0	0	111.6	S68 C76 S249 L435 G436	S68-E72 WeakPolarHBondContact O-CG 3.47Å; S68-E72 PolarHBondContact O-N 2.84Å; E72-C76 VanDerWaalsContact O-CB 3.26Å; E72-C76 WeakPolarHBondContact O-CB 3.45Å; E72-C76 PolarHBondContact O-N 3.15Å; E72-S249 WeakPolarHBondContact OE1-CB 3.44Å; E72-S249 PolarHBondContact OE1-N 3.21Å; E72-L435 HydrophobicContact CB-CB 3.88Å; E72-L435 HydrophobicContact CG-CB 4.06Å; E72-L435 HydrophobicContact CG-CD1 4.46Å; E72-G436 VanDerWaalsContact C-CA 3.46Å; E72-G436 WeakPolarHBondContact O-CA 3.5Å
73	R	88.5	Confident	84.8	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-65.6	-45.9	176.1	-72.5	-175.7	75.5	-157	4.8	112.3	S48 W52 A69 F71 C76 C77 L435	S48-R73 PolarHBondContact OG-NH1 2.84Å; W52-R73 HydrophobicContact CE3-CB 4.41Å; W52-R73 HydrophobicContact CH2-CB 4.31Å; W52-R73 HydrophobicContact CZ3-CB 4.2Å; A69-R73 WeakPolarHBondContact O-CB 3.45Å; A69-R73 WeakPolarHBondContact O-CG 3.33Å; A69-R73 PolarHBondContact O-N 3Å; F71-R73 VanDerWaalsContact C-N 3.29Å; F71-R73 PolarHBondContact O-N 3.2Å; R73-C76 WeakPolarHBondContact O-CB 3.2Å; R73-C76 PolarHBondContact O-N 2.82Å; R73-C77 PolarHBondContact O-N 2.75Å; R73-C77 PolarHBondContact O-SG 3.48Å; R73-L435 WeakPolarHBondContact CG-O 3.26Å
74	E	87.9	Confident	83.7	Confident	14 Å²	14	25 Å²	25	7%	0.065	13%	0.133	C	C	.	.	H	α-helix	trans	-62.4	-46.1	178.6	-165.8	167.9	140.6	0	0	111.1	R20 I21 R47 W52 S70 F71 C76 C77 I78	R20-E74 WeakPolarHBondContact CA-OE1 3.23Å; I21-E74 HydrophobicContact CG2-CB 4.24Å; I21-E74 HydrophobicContact CG2-CG 4.34Å; I21-E74 PolarHBondContact N-OE1 3.44Å; R47-E74 IonicContact CZ-OE2 3.71Å; R47-E74 IonicContact NE-OE2 3.55Å; R47-E74 PolarHBondContact NE-OE2 2.74Å; R47-E74 IonicContact NH2-OE1 3.86Å; R47-E74 IonicContact NH2-OE2 3.34Å; R47-E74 PolarHBondContact NH2-OE2 2.95Å; W52-E74 HydrophobicContact CH2-CB 3.74Å; W52-E74 HydrophobicContact CH2-CG 4.34Å; W52-E74 HydrophobicContact CZ2-CB 3.71Å; W52-E74 HydrophobicContact CZ2-CG 4.02Å; S70-E74 WeakPolarHBondContact O-CB 3.38Å; S70-E74 PolarHBondContact O-N 3.5Å; F71-E74 PolarHBondContact O-N 2.71Å; E74-C76 VanDerWaalsContact C-N 3.32Å; E74-C76 PolarHBondContact O-N 3.13Å; E74-C77 WeakPolarHBondContact O-CB 3.16Å; E74-C77 PolarHBondContact O-N 3.27Å; E74-C77 VanDerWaalsContact O-N 3.09Å; E74-I78 HydrophobicContact CG-CD1 4.08Å; E74-I78 WeakPolarHBondContact O-CG1 3.47Å; E74-I78 PolarHBondContact O-N 3.25Å
75	K	86.2	Confident	82.8	Confident	33 Å²	33	28 Å²	28	14%	0.143	16%	0.155	C	C	.	.	H	α-helix	trans	-57	-46.7	176.3	-167.1	-175.1	-160.2	-163.6	0	111.6	F71 C77 I78 N79 S249 D480	F71-K75 HydrophobicContact CE1-CD 3.9Å; F71-K75 VanDerWaalsContact O-CB 3.28Å; F71-K75 WeakPolarHBondContact O-CB 3.36Å; F71-K75 PolarHBondContact O-N 3.43Å; K75-C77 VanDerWaalsContact C-N 3.35Å; K75-C77 PolarHBondContact O-N 2.83Å; K75-I78 PolarHBondContact O-N 2.93Å; K75-N79 VanDerWaalsContact O-CB 3.29Å; K75-N79 WeakPolarHBondContact O-CB 3.32Å; K75-N79 PolarHBondContact O-N 3.1Å; K75-N79 PolarHBondContact O-OD1 2.68Å; K75-S249 PolarHBondContact NZ-OG 2.84Å; K75-D480 WeakPolarHBondContact CD-OD1 2.95Å; K75-D480 WeakPolarHBondContact CE-OD1 3.36Å; K75-D480 WeakPolarHBondContact CE-OD2 3.44Å; K75-D480 IonicContact NZ-OD1 2.71Å; K75-D480 PolarHBondContact NZ-OD1 3.19Å; K75-D480 IonicContact NZ-OD2 2.77Å; K75-D480 PolarHBondContact NZ-OD2 3.4Å
76	C	89.6	Confident	82.1	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.007	15%	0.151	C	C	.	.	H	α-helix	trans	-57.6	-44.4	174	-111	0	0	0	0	113.1	E72 R73 E74 I78 N79 F80 C437 L459	E72-C76 VanDerWaalsContact O-CB 3.26Å; E72-C76 WeakPolarHBondContact O-CB 3.45Å; E72-C76 PolarHBondContact O-N 3.15Å; R73-C76 WeakPolarHBondContact O-CB 3.2Å; R73-C76 PolarHBondContact O-N 2.82Å; E74-C76 VanDerWaalsContact C-N 3.32Å; E74-C76 PolarHBondContact O-N 3.13Å; C76-I78 VanDerWaalsContact C-N 3.35Å; C76-I78 PolarHBondContact O-N 3.12Å; C76-N79 PolarHBondContact O-N 3.46Å; C76-F80 WeakPolarHBondContact O-CB 3.47Å; C76-F80 PolarHBondContact O-N 2.75Å; C76-C437 HydrophobicContact CB-CB 4.31Å; C76-C437 WeakPolarHBondContact CB-SG 3.37Å; C76-C437 WeakPolarHBondContact SG-CB 3.39Å; C76-C437 PolarHBondContact SG-N 2.88Å; C76-C437 CovalentContact SG-SG 2.03Å; C76-C437 PolarHBondContact SG-SG 2.93Å; C76-L459 WeakPolarHBondContact O-CD2 3.39Å
77	C	88.3	Confident	82	Confident	29 Å²	29	27 Å²	27	20%	0.196	16%	0.155	C	C	.	.	H	α-helix	trans	-64.4	-39.7	178.6	-64	0	0	0	0	112.3	W52 R73 E74 K75 G81 H451 L459	W52-C77 PolarHBondContact NE1-SG 3.46Å; R73-C77 PolarHBondContact O-N 2.75Å; R73-C77 PolarHBondContact O-SG 3.48Å; E74-C77 WeakPolarHBondContact O-CB 3.16Å; E74-C77 PolarHBondContact O-N 3.27Å; E74-C77 VanDerWaalsContact O-N 3.09Å; K75-C77 VanDerWaalsContact C-N 3.35Å; K75-C77 PolarHBondContact O-N 2.83Å; C77-G81 VanDerWaalsContact O-CA 3.22Å; C77-G81 WeakPolarHBondContact O-CA 3.24Å; C77-G81 PolarHBondContact O-N 2.88Å; C77-H451 VanDerWaalsContact SG-CE1 3.55Å; C77-L459 HydrophobicContact CB-CD1 4.47Å; C77-L459 VanDerWaalsContact SG-CD1 3.6Å
78	I	84.1	Confident	81.9	Confident	46 Å²	46	29 Å²	29	24%	0.236	16%	0.164	C	C	.	.	H	α-helix	trans	-66.7	-43.6	176.4	-67.3	166.6	0	0	0	110	E74 K75 C76 S84 D86	E74-I78 HydrophobicContact CG-CD1 4.08Å; E74-I78 WeakPolarHBondContact O-CG1 3.47Å; E74-I78 PolarHBondContact O-N 3.25Å; K75-I78 PolarHBondContact O-N 2.93Å; C76-I78 VanDerWaalsContact C-N 3.35Å; C76-I78 PolarHBondContact O-N 3.12Å; I78-S84 WeakPolarHBondContact O-CB 3.43Å; I78-D86 HydrophobicContact CG2-CB 4.37Å
79	N	86.8	Confident	82	Confident	7 Å²	7	33.1 Å²	33.1	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-82.2	-26.3	-172.4	-66.4	-4.8	0	0	0	114.2	K75 C76 C87 S496	K75-N79 VanDerWaalsContact O-CB 3.29Å; K75-N79 WeakPolarHBondContact O-CB 3.32Å; K75-N79 PolarHBondContact O-N 3.1Å; K75-N79 PolarHBondContact O-OD1 2.68Å; C76-N79 PolarHBondContact O-N 3.46Å; N79-C87 WeakPolarHBondContact O-CB 3.29Å; N79-C87 PolarHBondContact O-SG 3.31Å; N79-S496 VanDerWaalsContact CG-CB 3.46Å; N79-S496 WeakPolarHBondContact OD1-CB 3.44Å
80	F	89.2	Confident	82	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-138.3	6.1	-170.1	-56.5	-69.8	0	0	0	113.8	C76 F439 A449 L459 L464 Y477 L482 W494	C76-F80 WeakPolarHBondContact O-CB 3.47Å; C76-F80 PolarHBondContact O-N 2.75Å; F80-F439 HydrophobicContact CD1-CE1 4.35Å; F80-F439 AromaticContact CD2-CE1 3.88Å; F80-F439 HydrophobicContact CD2-CE1 3.88Å; F80-F439 AromaticContact CD2-CZ 3.74Å; F80-F439 HydrophobicContact CD2-CZ 3.74Å; F80-F439 HydrophobicContact CE2-CE1 4.11Å; F80-F439 AromaticContact CE2-CZ 3.69Å; F80-F439 HydrophobicContact CE2-CZ 3.69Å; F80-F439 HydrophobicContact CG-CE1 4.02Å; F80-F439 HydrophobicContact CG-CZ 4.35Å; F80-F439 HydrophobicContact CZ-CE1 4.45Å; F80-F439 HydrophobicContact CZ-CZ 4.26Å; F80-A449 HydrophobicContact CB-CB 4.3Å; F80-L459 HydrophobicContact CB-CD2 3.65Å; F80-L464 HydrophobicContact CB-CD2 4.18Å; F80-L464 HydrophobicContact CD1-CD1 4.24Å; F80-L464 HydrophobicContact CD1-CD2 4.31Å; F80-Y477 AromaticContact CE2-CE2 3.69Å; F80-Y477 HydrophobicContact CE2-CE2 3.69Å; F80-Y477 HydrophobicContact CZ-CD2 4.38Å; F80-Y477 AromaticContact CZ-CE2 3.71Å; F80-Y477 HydrophobicContact CZ-CE2 3.71Å; F80-L482 HydrophobicContact CE1-CB 4.11Å; F80-L482 HydrophobicContact CZ-CB 4.31Å; F80-W494 HydrophobicContact CD1-CB 4.18Å; F80-W494 HydrophobicContact CE1-CB 3.75Å
81	G	87	Confident	81.9	Confident	9 Å²	9	36.6 Å²	36.6	9%	0.093	20%	0.2	C	C	.	.	S	Bend	trans	-87.4	-179.4	-178	0	0	0	0	0	114.9	C77 N83 S84	C77-G81 VanDerWaalsContact O-CA 3.22Å; C77-G81 WeakPolarHBondContact O-CA 3.24Å; C77-G81 PolarHBondContact O-N 2.88Å; G81-N83 VanDerWaalsContact C-N 3.33Å; G81-N83 PolarHBondContact O-N 2.76Å; G81-S84 WeakPolarHBondContact O-CB 3.37Å; G81-S84 PolarHBondContact O-N 3.08Å; G81-S84 PolarHBondContact O-OG 2.88Å
82	E	73.4	Confident	81.9	Confident	100 Å²	100	37.4 Å²	37.4	47%	0.467	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-34.6	-171.6	-169.7	179.3	177	0	0	114.3	K461	E82-K461 WeakPolarHBondContact OE1-CD 3.14Å; E82-K461 VanDerWaalsContact OE1-CE 3.25Å; E82-K461 WeakPolarHBondContact OE1-CE 3.38Å; E82-K461 IonicContact OE1-NZ 2.83Å; E82-K461 PolarHBondContact OE1-NZ 2.84Å; E82-K461 WeakPolarHBondContact OE2-CE 3.09Å; E82-K461 WeakPolarHBondContact OE2-CG 3.41Å; E82-K461 IonicContact OE2-NZ 3.75Å; E82-K461 PolarHBondContact OE2-NZ 3.43Å
83	N	63.3	Low	81.8	Confident	113 Å²	113	39.4 Å²	39.4	60%	0.604	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	21.1	-177.6	-67.5	-28	0	0	0	112.4	G81 S85	G81-N83 VanDerWaalsContact C-N 3.33Å; G81-N83 PolarHBondContact O-N 2.76Å; N83-S85 PolarHBondContact O-N 3.46Å
84	S	62.3	Low	81.6	Confident	26 Å²	26	43.1 Å²	43.1	18%	0.182	23%	0.234	C	C	.	.			trans	-72.4	79.7	176.5	67.2	0	0	0	0	109.5	I78 G81 D86 C87	I78-S84 WeakPolarHBondContact O-CB 3.43Å; G81-S84 WeakPolarHBondContact O-CB 3.37Å; G81-S84 PolarHBondContact O-N 3.08Å; G81-S84 PolarHBondContact O-OG 2.88Å; S84-D86 PolarHBondContact O-N 3.08Å; S84-D86 VanDerWaalsContact O-N 3.1Å; S84-C87 PolarHBondContact O-N 3.4Å; S84-C87 VanDerWaalsContact O-N 3.13Å; S84-C87 WeakPolarHBondContact OG-CB 3.4Å
85	S	63.9	Low	81.5	Confident	85 Å²	85	43.8 Å²	43.8	59%	0.594	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-22.1	153.9	49.5	0	0	0	0	110.9	N83	N83-S85 PolarHBondContact O-N 3.46Å
86	D	71.3	Confident	81.6	Confident	51 Å²	51	43.1 Å²	43.1	27%	0.273	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-5.1	-176	-50.7	-20	0	0	0	112.7	I78 S84 S496 V497	I78-D86 HydrophobicContact CG2-CB 4.37Å; S84-D86 PolarHBondContact O-N 3.08Å; S84-D86 VanDerWaalsContact O-N 3.1Å; D86-S496 CarbonylContact O-C 3.59Å; D86-S496 WeakPolarHBondContact O-CA 3.27Å; D86-V497 HydrophobicContact CB-CG2 4.48Å; D86-V497 WeakPolarHBondContact O-CG2 3.07Å; D86-V497 PolarHBondContact O-N 3.37Å
87	C	83.1	Confident	81.5	Confident	28 Å²	28	47.7 Å²	47.7	19%	0.189	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.6	172.5	-172.9	0	0	0	0	110.1	N79 S84	N79-C87 WeakPolarHBondContact O-CB 3.29Å; N79-C87 PolarHBondContact O-SG 3.31Å; S84-C87 PolarHBondContact O-N 3.4Å; S84-C87 VanDerWaalsContact O-N 3.13Å; S84-C87 WeakPolarHBondContact OG-CB 3.4Å
88	I	83.5	Confident	81.8	Confident	46 Å²	46	50.7 Å²	50.7	24%	0.236	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.1	170	-60.5	179.7	0	0	0	108.3	L90 W494 S495 V497 I500	I88-L90 HydrophobicContact CG2-CD2 3.83Å; I88-L90 HydrophobicContact CG2-CG 3.93Å; I88-W494 VanDerWaalsContact O-CA 3.3Å; I88-W494 WeakPolarHBondContact O-CA 3.49Å; I88-S495 PolarHBondContact N-O 3.49Å; I88-S495 PolarHBondContact O-N 3.46Å; I88-V497 HydrophobicContact CD1-CB 4.41Å; I88-V497 HydrophobicContact CD1-CG2 3.7Å; I88-V497 HydrophobicContact CG1-CG2 3.76Å; I88-I500 HydrophobicContact CB-CD1 3.44Å; I88-I500 VanDerWaalsContact CB-CD1 3.44Å; I88-I500 HydrophobicContact CD1-CB 4.28Å; I88-I500 HydrophobicContact CD1-CD1 3.37Å; I88-I500 HydrophobicContact CD1-CG1 4.4Å; I88-I500 HydrophobicContact CD1-CG2 4.07Å; I88-I500 HydrophobicContact CG1-CD1 3.82Å; I88-I500 HydrophobicContact CG2-CD1 3.77Å
89	R	85.9	Confident	82.3	Confident	97 Å²	97	48.7 Å²	48.7	37%	0.366	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.5	168.9	-179	-170.5	74.8	-177.1	5.1	109.1	E301 V493 W494	R89-E301 IonicContact CZ-OE2 3.27Å; R89-E301 IonicContact NH2-OE2 3.12Å; R89-E301 PolarHBondContact NH2-OE2 3.28Å; R89-V493 CarbonylContact C-O 3.59Å; R89-V493 WeakPolarHBondContact CA-O 3.31Å; R89-W494 HydrophobicContact CG-CZ2 4.46Å
90	L	86.7	Confident	82.8	Confident	25 Å²	25	48.4 Å²	48.4	13%	0.131	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.6	172.7	-58.2	175.4	0	0	0	109.5	I88 M131 F132 Y492 V493	I88-L90 HydrophobicContact CG2-CD2 3.83Å; I88-L90 HydrophobicContact CG2-CG 3.93Å; L90-M131 HydrophobicContact CD1-CE 4.21Å; L90-M131 HydrophobicContact CD1-CG 3.61Å; L90-M131 HydrophobicContact CD1-SD 4.08Å; L90-F132 HydrophobicContact CD1-CD1 4.25Å; L90-F132 HydrophobicContact CD1-CE1 3.77Å; L90-F132 HydrophobicContact CD1-CZ 4.13Å; L90-F132 HydrophobicContact CD2-CD1 4.19Å; L90-F132 HydrophobicContact CD2-CE1 3.99Å; L90-F132 HydrophobicContact CG-CE1 4.44Å; L90-Y492 WeakPolarHBondContact O-CA 3.38Å; L90-V493 HydrophobicContact CB-CB 4.35Å; L90-V493 PolarHBondContact N-O 3.21Å; L90-V493 PolarHBondContact O-N 3.41Å
91	S	86.1	Confident	83.2	Confident	49 Å²	49	48.8 Å²	48.8	34%	0.343	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	115.1	172.7	-60.9	0	0	0	0	108.6
92	K	86.6	Confident	83.7	Confident	20 Å²	20	48.6 Å²	48.6	9%	0.087	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	99.1	177.3	-58.9	-61.2	-174.6	-176.4	0	107.9	V95 M131 S133 W136 S490 I491	K92-V95 HydrophobicContact CB-CG2 3.44Å; K92-V95 VanDerWaalsContact CB-CG2 3.44Å; K92-V95 WeakPolarHBondContact O-CG2 3.4Å; K92-M131 WeakPolarHBondContact CE-O 3.4Å; K92-M131 PolarHBondContact NZ-O 2.65Å; K92-S133 PolarHBondContact NZ-O 3.22Å; K92-W136 HydrophobicContact CB-CE3 4.09Å; K92-W136 HydrophobicContact CD-CB 4.09Å; K92-W136 HydrophobicContact CG-CB 4.42Å; K92-W136 HydrophobicContact CG-CD2 4.48Å; K92-W136 HydrophobicContact CG-CE3 3.71Å; K92-W136 HydrophobicContact CG-CZ3 4.35Å; K92-S490 CarbonylContact O-C 3.33Å; K92-S490 VanDerWaalsContact O-CA 3.32Å; K92-S490 WeakPolarHBondContact O-CA 3.4Å; K92-I491 WeakPolarHBondContact CA-O 3.14Å; K92-I491 PolarHBondContact N-O 3.46Å; K92-I491 PolarHBondContact O-N 3.21Å
93	L	85.1	Confident	84.9	Confident	46 Å²	46	44.3 Å²	44.3	24%	0.241	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	135.4	-171.6	-59.6	-178.7	0	0	0	110.7	V95 P297 F298 S490 Y492	L93-V95 PolarHBondContact O-N 3.14Å; L93-V95 VanDerWaalsContact O-N 3.08Å; L93-P297 HydrophobicContact CB-CB 4.01Å; L93-P297 HydrophobicContact CB-CG 4.35Å; L93-F298 VanDerWaalsContact CD1-O 3.29Å; L93-F298 WeakPolarHBondContact CD1-O 3.24Å; L93-S490 WeakPolarHBondContact CA-OG 3.25Å; L93-Y492 HydrophobicContact CD2-CE1 4.4Å
94	N	84	Confident	86.5	Confident	80 Å²	80	39.8 Å²	39.8	43%	0.428	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	38.4	171.7	-64.9	87.9	0	0	0	113.7	V96 N488 S490	N94-V96 CarbonylContact C-O 3.55Å; N94-V96 PolarHBondContact O-N 3.32Å; N94-N488 PolarHBondContact ND2-O 3.3Å; N94-S490 PolarHBondContact N-OG 2.6Å; N94-S490 VanDerWaalsContact N-OG 3.1Å
95	V	84.6	Confident	88.1	Confident	28 Å²	28	38.9 Å²	38.9	17%	0.17	22%	0.219	C	C	.	.	S	Bend	trans	-58	-31.7	177.1	-174.3	0	0	0	0	110.5	K92 L93 F125 W136 G489 I491	K92-V95 HydrophobicContact CB-CG2 3.44Å; K92-V95 VanDerWaalsContact CB-CG2 3.44Å; K92-V95 WeakPolarHBondContact O-CG2 3.4Å; L93-V95 PolarHBondContact O-N 3.14Å; L93-V95 VanDerWaalsContact O-N 3.08Å; V95-F125 HydrophobicContact CG1-CD1 4.31Å; V95-F125 HydrophobicContact CG1-CE1 3.21Å; V95-F125 HydrophobicContact CG1-CE2 4.45Å; V95-F125 HydrophobicContact CG1-CZ 3.31Å; V95-W136 VanDerWaalsContact CG1-O 3.25Å; V95-W136 WeakPolarHBondContact CG1-O 3.46Å; V95-G489 PolarHBondContact N-O 2.79Å; V95-I491 HydrophobicContact CB-CD1 4.5Å
96	V	88.1	Confident	89.5	Confident	20 Å²	20	34.9 Å²	34.9	12%	0.121	19%	0.19	C	C	.	.	S	Bend	trans	-129.2	164.5	164.5	-66.7	0	0	0	0	110.8	N94 H98 I100 M115 G489	N94-V96 CarbonylContact C-O 3.55Å; N94-V96 PolarHBondContact O-N 3.32Å; V96-H98 VanDerWaalsContact C-N 3.33Å; V96-H98 WeakPolarHBondContact CG2-O 3.48Å; V96-H98 PolarHBondContact O-N 2.84Å; V96-I100 HydrophobicContact CG2-CD1 4.3Å; V96-I100 HydrophobicContact CG2-CG1 4.15Å; V96-M115 HydrophobicContact CB-CE 4.16Å; V96-M115 HydrophobicContact CG1-CE 3.49Å; V96-M115 VanDerWaalsContact CG1-CE 3.49Å; V96-M115 HydrophobicContact CG2-CE 3.62Å; V96-M115 HydrophobicContact CG2-SD 4.2Å; V96-G489 PolarHBondContact N-O 3.26Å; V96-G489 WeakPolarHBondContact O-CA 3.38Å
97	S	87.8	Confident	90.2	Very high	97 Å²	97	34.1 Å²	34.1	68%	0.678	19%	0.186	S	C	*	.	S	Bend	trans	-85.4	-0.9	-176.8	-54	0	0	0	0	114.4
98	H	94.1	Very high	90.4	Very high	91 Å²	91	35 Å²	35	42%	0.421	19%	0.187	S	C	.	.	S	Bend	trans	-131.2	154.1	-171.7	-62.7	-73.7	0	0	0	112.3	V96 D117 R118 G119 G489	V96-H98 VanDerWaalsContact C-N 3.33Å; V96-H98 WeakPolarHBondContact CG2-O 3.48Å; V96-H98 PolarHBondContact O-N 2.84Å; H98-D117 HydrophobicContact CB-CB 4.24Å; H98-R118 HydrophobicContact CB-CB 4.27Å; H98-G119 VanDerWaalsContact CB-N 3.29Å; H98-G119 WeakPolarHBondContact CD2-CA 3.47Å; H98-G119 VanDerWaalsContact CG-CA 3.46Å; H98-G489 WeakPolarHBondContact O-CA 3.5Å; H98-G489 PolarHBondContact O-N 2.78Å
99	G	95.5	Very high	90.7	Very high	5 Å²	5	32.9 Å²	32.9	5%	0.052	18%	0.176	C	C	.	.			trans	-64.8	142.8	-179.2	0	0	0	0	0	113.7	D117 R118 S486 G487	G99-D117 CarbonylContact O-C 3.51Å; G99-D117 VanDerWaalsContact O-CA 3.32Å; G99-D117 WeakPolarHBondContact O-CA 3.36Å; G99-D117 WeakPolarHBondContact O-CB 3.28Å; G99-R118 PolarHBondContact O-N 2.9Å; G99-S486 WeakPolarHBondContact CA-O 3.39Å; G99-G487 VanDerWaalsContact CA-C 3.42Å; G99-G487 WeakPolarHBondContact CA-O 3.3Å; G99-G487 PolarHBondContact N-O 2.71Å
100	I	97.8	Very high	90.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	107.5	-172.7	-57	164.1	0	0	0	110.4	V96 L103 M115 T473 S474 S486 I491	V96-I100 HydrophobicContact CG2-CD1 4.3Å; V96-I100 HydrophobicContact CG2-CG1 4.15Å; I100-L103 HydrophobicContact CG2-CD2 3.79Å; I100-L103 HydrophobicContact CG2-CG 3.89Å; I100-M115 HydrophobicContact CB-CG 4.44Å; I100-M115 HydrophobicContact CB-SD 4.4Å; I100-M115 HydrophobicContact CD1-CG 4.43Å; I100-M115 HydrophobicContact CD1-SD 3.43Å; I100-M115 WeakPolarHBondContact CD1-SD 3.2Å; I100-M115 HydrophobicContact CG1-CG 4.18Å; I100-M115 HydrophobicContact CG1-SD 3.56Å; I100-M115 VanDerWaalsContact CG1-SD 3.56Å; I100-M115 HydrophobicContact CG2-CG 3.47Å; I100-M115 VanDerWaalsContact CG2-CG 3.47Å; I100-M115 HydrophobicContact CG2-SD 3.95Å; I100-T473 WeakPolarHBondContact O-CB 3.35Å; I100-T473 PolarHBondContact O-OG1 3.22Å; I100-S474 PolarHBondContact O-OG 3.42Å; I100-S486 PolarHBondContact N-O 3.33Å; I100-I491 HydrophobicContact CD1-CD1 4.3Å; I100-I491 HydrophobicContact CD1-CG1 3.6Å
101	D	97.4	Very high	91	Very high	9 Å²	9	27.5 Å²	27.5	5%	0.048	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-18.3	-178.7	-71.7	-55.6	0	0	0	113.4	G116 R118 W151	D101-G116 PolarHBondContact N-O 2.98Å; D101-R118 IonicContact OD1-CZ 2.9Å; D101-R118 IonicContact OD1-NH2 3.99Å; D101-R118 PolarHBondContact OD1-NH2 2.85Å; D101-R118 WeakPolarHBondContact OD2-CG 3.44Å; D101-R118 IonicContact OD2-CZ 3.16Å; D101-R118 IonicContact OD2-NE 3.48Å; D101-R118 PolarHBondContact OD2-NE 3.25Å; D101-R118 IonicContact OD2-NH1 3.28Å; D101-R118 IonicContact OD2-NH2 3.49Å; D101-R118 PolarHBondContact OD2-NH2 2.83Å; D101-W151 HydrophobicContact CB-CD2 4.15Å; D101-W151 HydrophobicContact CB-CE3 3.77Å; D101-W151 HydrophobicContact CB-CZ3 4.03Å; D101-W151 WeakPolarHBondContact OD2-CZ3 3.49Å
102	A	98.2	Very high	91.3	Very high	5 Å²	5	25.2 Å²	25.2	4%	0.041	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.2	177.3	0	0	0	0	0	111.8	M115 G116 I150 I153	A102-M115 WeakPolarHBondContact O-CA 3.48Å; A102-G116 PolarHBondContact N-O 3.2Å; A102-G116 PolarHBondContact O-N 2.89Å; A102-I150 HydrophobicContact CB-CG2 4.21Å; A102-I153 HydrophobicContact CB-CB 4.2Å; A102-I153 HydrophobicContact CB-CD1 3.98Å; A102-I153 HydrophobicContact CB-CG1 3.64Å
103	L	98.2	Very high	91.8	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.052	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	140.7	171.3	-71.8	174.5	0	0	0	107.7	I100 L113 I114 M115 S474 E476 V483	I100-L103 HydrophobicContact CG2-CD2 3.79Å; I100-L103 HydrophobicContact CG2-CG 3.89Å; L103-L113 HydrophobicContact CD2-CD1 4.07Å; L103-L113 HydrophobicContact CD2-CD2 4.24Å; L103-L113 HydrophobicContact CD2-CG 4.31Å; L103-I114 CarbonylContact C-O 3.59Å; L103-I114 WeakPolarHBondContact CA-O 3.29Å; L103-M115 HydrophobicContact CD2-CB 4Å; L103-M115 HydrophobicContact CD2-CG 3.83Å; L103-S474 WeakPolarHBondContact CD1-OG 3.41Å; L103-E476 HydrophobicContact CB-CB 4Å; L103-V483 HydrophobicContact CD1-CB 4.41Å; L103-V483 HydrophobicContact CD1-CG1 3.85Å
104	H	97.1	Very high	92.4	Very high	18 Å²	18	22.1 Å²	22.1	8%	0.083	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	132.3	176.8	-174.8	59.3	0	0	0	110.4	I114 I153 S155	H104-I114 PolarHBondContact N-O 2.84Å; H104-I114 PolarHBondContact O-N 2.93Å; H104-I153 HydrophobicContact CB-CB 4.01Å; H104-I153 HydrophobicContact CB-CG2 3.62Å; H104-S155 VanDerWaalsContact NE2-CB 3.34Å; H104-S155 WeakPolarHBondContact NE2-CB 3.17Å; H104-S155 PolarHBondContact NE2-N 2.89Å; H104-S155 PolarHBondContact NE2-OG 2.95Å
105	I	95.3	Very high	93	Very high	7 Å²	7	18.3 Å²	18.3	4%	0.036	10%	0.103	C	C	.	.			trans	-106.2	110.3	171.6	-60.9	172.3	0	0	0	106.9	L113 F127 E476 H478 V483	I105-L113 HydrophobicContact CG1-CD1 3.84Å; I105-F127 HydrophobicContact CD1-CE2 4.09Å; I105-F127 HydrophobicContact CD1-CZ 4.06Å; I105-F127 HydrophobicContact CG1-CE2 4.24Å; I105-F127 HydrophobicContact CG1-CZ 4.32Å; I105-E476 HydrophobicContact CB-CG 4.36Å; I105-E476 HydrophobicContact CD1-CG 4.3Å; I105-E476 HydrophobicContact CG1-CG 4.05Å; I105-H478 HydrophobicContact CB-CB 3.85Å; I105-H478 HydrophobicContact CD1-CB 4.1Å; I105-H478 HydrophobicContact CG2-CB 3.82Å; I105-V483 HydrophobicContact CD1-CG2 4.15Å
106	P	92.8	Very high	93.7	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.			trans	-64.8	137.3	-178.1	-21.7	33.5	0	0	0	112.1	K108 H109 L112 I114 L174	P106-K108 PolarHBondContact O-N 3.43Å; P106-H109 HydrophobicContact CB-CB 4.22Å; P106-H109 CarbonylContact O-C 3.55Å; P106-H109 PolarHBondContact O-N 2.69Å; P106-H109 VanDerWaalsContact O-N 3.12Å; P106-L112 WeakPolarHBondContact CD-O 3.34Å; P106-I114 HydrophobicContact CG-CD1 3.62Å; P106-I114 HydrophobicContact CG-CG1 3.95Å; P106-L174 HydrophobicContact CG-CD2 4.33Å
107	L	87.2	Confident	94.1	Very high	35 Å²	35	16.1 Å²	16.1	18%	0.183	9%	0.09	C	C	.	.	S	Bend	trans	-59.8	-43.7	-177.4	-166.7	65.7	0	0	0	113.8	H109 S246 Y274 H478	L107-H109 VanDerWaalsContact C-N 3.31Å; L107-S246 WeakPolarHBondContact CD1-OG 3.48Å; L107-Y274 HydrophobicContact CD2-CD2 4.09Å; L107-Y274 HydrophobicContact CD2-CE2 3.51Å; L107-Y274 HydrophobicContact CG-CD2 4.14Å; L107-Y274 HydrophobicContact CG-CE2 3.98Å; L107-H478 WeakPolarHBondContact CD1-CE1 3.45Å
108	K	86.8	Confident	94.5	Very high	47 Å²	47	14.6 Å²	14.6	20%	0.204	7%	0.069	C	C	.	.	S	Bend	trans	-78	-18.3	179.6	-171.2	175.3	169.3	-156.9	0	112.6	P106 P110 D158 Y274	P106-K108 PolarHBondContact O-N 3.43Å; K108-P110 VanDerWaalsContact C-CD 3.48Å; K108-D158 VanDerWaalsContact CD-OD1 3.29Å; K108-D158 WeakPolarHBondContact CD-OD1 3.38Å; K108-D158 WeakPolarHBondContact CE-OD1 3.05Å; K108-D158 IonicContact NZ-OD1 3.99Å; K108-D158 PolarHBondContact NZ-OD1 3.23Å; K108-D158 IonicContact NZ-OD2 3.63Å; K108-D158 PolarHBondContact NZ-OD2 3.19Å; K108-Y274 HydrophobicContact CB-CD1 3.93Å; K108-Y274 HydrophobicContact CB-CE1 3.97Å; K108-Y274 HydrophobicContact CD-CD1 4.17Å; K108-Y274 HydrophobicContact CD-CE1 4.02Å; K108-Y274 HydrophobicContact CG-CD1 3.69Å; K108-Y274 HydrophobicContact CG-CE1 3.95Å
109	H	89.8	Confident	94.6	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	5%	0.053	C	C	.	.			trans	-131.4	64.7	-178.3	-51.5	-69.6	0	0	0	110.9	P106 L107 D111 L112 D158 L174 S278 L280	P106-H109 HydrophobicContact CB-CB 4.22Å; P106-H109 CarbonylContact O-C 3.55Å; P106-H109 PolarHBondContact O-N 2.69Å; P106-H109 VanDerWaalsContact O-N 3.12Å; L107-H109 VanDerWaalsContact C-N 3.31Å; H109-D111 PolarHBondContact O-N 2.83Å; H109-L112 HydrophobicContact CB-CB 4.47Å; H109-L112 HydrophobicContact CB-CD1 3.88Å; H109-L112 HydrophobicContact CB-CG 4.18Å; H109-L112 PolarHBondContact O-N 3.38Å; H109-D158 IonicContact CE1-OD1 3.5Å; H109-D158 IonicContact NE2-OD1 2.88Å; H109-D158 PolarHBondContact NE2-OD1 3.26Å; H109-L174 HydrophobicContact CB-CD2 4.39Å; H109-S278 PolarHBondContact ND1-OG 2.96Å; H109-L280 VanDerWaalsContact CE1-CD1 3.46Å; H109-L280 WeakPolarHBondContact CE1-CD1 3.48Å; H109-L280 VanDerWaalsContact CE1-CG 3.42Å; H109-L280 WeakPolarHBondContact CE1-CG 3.18Å
110	P	89.1	Confident	94.7	Very high	4 Å²	4	16.7 Å²	16.7	3%	0.026	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-0.5	-172.8	32.3	-38	0	0	0	113.7	K108 Y276 N479 R499	K108-P110 VanDerWaalsContact C-CD 3.48Å; P110-Y276 HydrophobicContact CB-CE1 4.47Å; P110-Y276 HydrophobicContact CG-CD1 3.65Å; P110-Y276 HydrophobicContact CG-CE1 3.7Å; P110-N479 HydrophobicContact CB-CB 3.97Å; P110-R499 PolarHBondContact O-NH2 2.97Å
111	D	89	Confident	94.6	Very high	6 Å²	6	17.6 Å²	17.6	3%	0.032	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-4.1	173.7	-57.3	-28.7	0	0	0	111.9	H109 F127 K128 R499 L503	H109-D111 PolarHBondContact O-N 2.83Å; D111-F127 WeakPolarHBondContact O-CD2 3.44Å; D111-F127 PolarHBondContact O-N 2.81Å; D111-K128 HydrophobicContact CB-CD 4.42Å; D111-K128 HydrophobicContact CB-CG 4.32Å; D111-K128 VanDerWaalsContact CG-CE 3.46Å; D111-K128 WeakPolarHBondContact OD2-CE 3.26Å; D111-K128 IonicContact OD2-NZ 3.33Å; D111-K128 PolarHBondContact OD2-NZ 2.85Å; D111-R499 IonicContact OD1-CZ 2.67Å; D111-R499 IonicContact OD1-NH1 2.65Å; D111-R499 IonicContact OD1-NH2 3.85Å; D111-R499 PolarHBondContact OD1-NH2 3.09Å; D111-L503 HydrophobicContact CB-CD2 4.22Å; D111-L503 VanDerWaalsContact OD1-CD2 3.26Å; D111-L503 WeakPolarHBondContact OD1-CD2 3.5Å
112	L	93.6	Very high	94.6	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	147.2	178.7	-59.2	-179.7	0	0	0	111.3	P106 H109 I124 F125 L174 V283 T284	P106-L112 WeakPolarHBondContact CD-O 3.34Å; H109-L112 HydrophobicContact CB-CB 4.47Å; H109-L112 HydrophobicContact CB-CD1 3.88Å; H109-L112 HydrophobicContact CB-CG 4.18Å; H109-L112 PolarHBondContact O-N 3.38Å; L112-I124 HydrophobicContact CB-CG2 4.33Å; L112-I124 HydrophobicContact CD1-CG2 4.41Å; L112-I124 HydrophobicContact CD2-CG2 4.16Å; L112-F125 CarbonylContact C-O 3.55Å; L112-F125 WeakPolarHBondContact CA-O 3.42Å; L112-L174 HydrophobicContact CD1-CD2 4.15Å; L112-V283 HydrophobicContact CD1-CG1 3.84Å; L112-V283 HydrophobicContact CD2-CG1 3.79Å; L112-V283 HydrophobicContact CG-CG1 4.46Å; L112-T284 HydrophobicContact CD2-CG2 3.76Å
113	L	95.6	Very high	94.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.5	169.2	177.9	67.1	0	0	0	108.8	L103 I105 I124 F125 F127 W136 V483 I491	L103-L113 HydrophobicContact CD2-CD1 4.07Å; L103-L113 HydrophobicContact CD2-CD2 4.24Å; L103-L113 HydrophobicContact CD2-CG 4.31Å; I105-L113 HydrophobicContact CG1-CD1 3.84Å; L113-I124 CarbonylContact O-C 3.55Å; L113-I124 WeakPolarHBondContact O-CA 3.5Å; L113-F125 HydrophobicContact CB-CB 4.29Å; L113-F125 PolarHBondContact N-O 2.85Å; L113-F125 PolarHBondContact O-N 2.8Å; L113-F127 HydrophobicContact CB-CE1 4.16Å; L113-F127 HydrophobicContact CB-CE2 4.14Å; L113-F127 HydrophobicContact CB-CZ 3.69Å; L113-F127 HydrophobicContact CD1-CZ 4.28Å; L113-F127 HydrophobicContact CD2-CE1 4.36Å; L113-F127 HydrophobicContact CD2-CZ 4.36Å; L113-F127 HydrophobicContact CG-CZ 4.34Å; L113-W136 HydrophobicContact CD2-CH2 3.95Å; L113-V483 HydrophobicContact CD1-CB 4.47Å; L113-V483 HydrophobicContact CD1-CG1 4.27Å; L113-V483 HydrophobicContact CD1-CG2 4.34Å; L113-V483 HydrophobicContact CD2-CG1 3.81Å; L113-I491 HydrophobicContact CD2-CD1 4.3Å
114	I	98	Very high	94.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.3	173	-47.5	-176	0	0	0	108.4	L103 H104 P106 V122 I124 I153 V160	L103-I114 CarbonylContact C-O 3.59Å; L103-I114 WeakPolarHBondContact CA-O 3.29Å; H104-I114 PolarHBondContact N-O 2.84Å; H104-I114 PolarHBondContact O-N 2.93Å; P106-I114 HydrophobicContact CG-CD1 3.62Å; P106-I114 HydrophobicContact CG-CG1 3.95Å; I114-V122 HydrophobicContact CG2-CG1 3.73Å; I114-I124 HydrophobicContact CG1-CG1 4.29Å; I114-I124 HydrophobicContact CG2-CG1 4.41Å; I114-I153 HydrophobicContact CB-CG2 4.31Å; I114-I153 HydrophobicContact CG2-CD1 4.04Å; I114-I153 HydrophobicContact CG2-CG2 4Å; I114-V160 HydrophobicContact CD1-CB 4.4Å; I114-V160 HydrophobicContact CD1-CG1 3.9Å; I114-V160 HydrophobicContact CD1-CG2 3.55Å
115	M	97.5	Very high	94.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.5	-175.1	-177.9	-169.9	78	0	0	110.5	V96 I100 A102 L103 D117 V122 S123 F125 I153 I491	V96-M115 HydrophobicContact CB-CE 4.16Å; V96-M115 HydrophobicContact CG1-CE 3.49Å; V96-M115 VanDerWaalsContact CG1-CE 3.49Å; V96-M115 HydrophobicContact CG2-CE 3.62Å; V96-M115 HydrophobicContact CG2-SD 4.2Å; I100-M115 HydrophobicContact CB-CG 4.44Å; I100-M115 HydrophobicContact CB-SD 4.4Å; I100-M115 HydrophobicContact CD1-CG 4.43Å; I100-M115 HydrophobicContact CD1-SD 3.43Å; I100-M115 WeakPolarHBondContact CD1-SD 3.2Å; I100-M115 HydrophobicContact CG1-CG 4.18Å; I100-M115 HydrophobicContact CG1-SD 3.56Å; I100-M115 VanDerWaalsContact CG1-SD 3.56Å; I100-M115 HydrophobicContact CG2-CG 3.47Å; I100-M115 VanDerWaalsContact CG2-CG 3.47Å; I100-M115 HydrophobicContact CG2-SD 3.95Å; A102-M115 WeakPolarHBondContact O-CA 3.48Å; L103-M115 HydrophobicContact CD2-CB 4Å; L103-M115 HydrophobicContact CD2-CG 3.83Å; M115-D117 HydrophobicContact CE-CB 4.49Å; M115-V122 CarbonylContact O-C 3.58Å; M115-V122 VanDerWaalsContact O-CA 3.28Å; M115-V122 WeakPolarHBondContact O-CA 3.47Å; M115-S123 PolarHBondContact N-O 3.35Å; M115-S123 PolarHBondContact O-N 3.4Å; M115-F125 HydrophobicContact CE-CE2 4.07Å; M115-F125 HydrophobicContact SD-CE2 4.27Å; M115-I153 VanDerWaalsContact C-CD1 3.48Å; M115-I491 HydrophobicContact SD-CD1 3.92Å; M115-I491 HydrophobicContact SD-CG1 4.49Å
116	G	98.3	Very high	94.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.5	170.6	0	0	0	0	0	110.9	D101 A102 I153	D101-G116 PolarHBondContact N-O 2.98Å; A102-G116 PolarHBondContact N-O 3.2Å; A102-G116 PolarHBondContact O-N 2.89Å; G116-I153 VanDerWaalsContact N-CD1 3.28Å
117	D	97.2	Very high	93.9	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.016	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	173.6	-174.6	67.1	50.5	0	0	0	114.1	H98 G99 M115 G119 R120 V121 I150	H98-D117 HydrophobicContact CB-CB 4.24Å; G99-D117 CarbonylContact O-C 3.51Å; G99-D117 VanDerWaalsContact O-CA 3.32Å; G99-D117 WeakPolarHBondContact O-CA 3.36Å; G99-D117 WeakPolarHBondContact O-CB 3.28Å; M115-D117 HydrophobicContact CE-CB 4.49Å; D117-G119 PolarHBondContact O-N 2.87Å; D117-G119 WeakPolarHBondContact OD1-CA 2.99Å; D117-G119 PolarHBondContact OD1-N 3.48Å; D117-R120 PolarHBondContact O-N 2.96Å; D117-R120 PolarHBondContact OD1-N 3.35Å; D117-V121 PolarHBondContact N-O 3.2Å; D117-V121 PolarHBondContact OD1-N 2.59Å; D117-I150 PolarHBondContact O-N 3.25Å
118	R	96.6	Very high	93.8	Very high	65 Å²	65	17.9 Å²	17.9	25%	0.245	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.4	176	-66.7	-170.5	-178.5	104.8	11.5	114.4	H98 G99 D101 R120 W149	H98-R118 HydrophobicContact CB-CB 4.27Å; G99-R118 PolarHBondContact O-N 2.9Å; D101-R118 IonicContact OD1-CZ 2.9Å; D101-R118 IonicContact OD1-NH2 3.99Å; D101-R118 PolarHBondContact OD1-NH2 2.85Å; D101-R118 WeakPolarHBondContact OD2-CG 3.44Å; D101-R118 IonicContact OD2-CZ 3.16Å; D101-R118 IonicContact OD2-NE 3.48Å; D101-R118 PolarHBondContact OD2-NE 3.25Å; D101-R118 IonicContact OD2-NH1 3.28Å; D101-R118 IonicContact OD2-NH2 3.49Å; D101-R118 PolarHBondContact OD2-NH2 2.83Å; R118-R120 PolarHBondContact O-N 2.77Å; R118-W149 HydrophobicContact CB-CD2 4.43Å; R118-W149 HydrophobicContact CB-CG 4.02Å; R118-W149 HydrophobicContact CG-CB 4.23Å; R118-W149 HydrophobicContact CG-CD2 4.01Å; R118-W149 HydrophobicContact CG-CG 3.84Å; R118-W149 PolarHBondContact O-NE1 2.9Å
119	G	96.3	Very high	93.4	Very high	9 Å²	9	16.9 Å²	16.9	9%	0.093	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-8.3	167.6	0	0	0	0	0	113	H98 D117	H98-G119 VanDerWaalsContact CB-N 3.29Å; H98-G119 WeakPolarHBondContact CD2-CA 3.47Å; H98-G119 VanDerWaalsContact CG-CA 3.46Å; D117-G119 PolarHBondContact O-N 2.87Å; D117-G119 WeakPolarHBondContact OD1-CA 2.99Å; D117-G119 PolarHBondContact OD1-N 3.48Å
120	R	96.6	Very high	92.3	Very high	131 Å²	131	18.4 Å²	18.4	49%	0.494	9%	0.094	S	C	.	.	S	Bend	trans	77	26.7	-179.2	-41.8	156.3	-77.9	-167.3	-2	112.3	D117 R118 S145 H146 G148	D117-R120 PolarHBondContact O-N 2.96Å; D117-R120 PolarHBondContact OD1-N 3.35Å; R118-R120 PolarHBondContact O-N 2.77Å; R120-S145 PolarHBondContact O-OG 2.9Å; R120-H146 VanDerWaalsContact CB-O 3.29Å; R120-H146 WeakPolarHBondContact CB-O 3.07Å; R120-H146 PolarHBondContact O-N 3.04Å; R120-G148 WeakPolarHBondContact CG-O 3.26Å
121	V	96.4	Very high	91.5	Very high	19 Å²	19	18.4 Å²	18.4	12%	0.115	9%	0.094	C	C	.	.			trans	-115.5	139.9	-172.6	178.2	0	0	0	0	110	D117 T141 Y143 I150	D117-V121 PolarHBondContact N-O 3.2Å; D117-V121 PolarHBondContact OD1-N 2.59Å; V121-T141 HydrophobicContact CG1-CG2 3.27Å; V121-Y143 HydrophobicContact CG2-CD1 4.21Å; V121-I150 VanDerWaalsContact C-CD1 3.42Å; V121-I150 WeakPolarHBondContact O-CD1 3.5Å
122	V	98	Very high	90.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.2	167.2	-179.9	0	0	0	0	108.3	I114 M115 T141 E142 S145 I150 T162 L179	I114-V122 HydrophobicContact CG2-CG1 3.73Å; M115-V122 CarbonylContact O-C 3.58Å; M115-V122 VanDerWaalsContact O-CA 3.28Å; M115-V122 WeakPolarHBondContact O-CA 3.47Å; V122-T141 WeakPolarHBondContact O-CA 3.41Å; V122-E142 PolarHBondContact N-O 2.86Å; V122-E142 PolarHBondContact O-N 2.82Å; V122-S145 PolarHBondContact N-OG 2.82Å; V122-I150 HydrophobicContact CG2-CD1 3.6Å; V122-T162 HydrophobicContact CG2-CG2 3.87Å; V122-L179 HydrophobicContact CB-CD1 4.26Å; V122-L179 HydrophobicContact CG1-CD1 3.5Å; V122-L179 VanDerWaalsContact CG1-CD1 3.5Å
123	S	96.5	Very high	89.3	Confident	3 Å²	3	25.4 Å²	25.4	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.5	175.9	-63.4	0	0	0	0	110.6	M115 F140 T141	M115-S123 PolarHBondContact N-O 3.35Å; M115-S123 PolarHBondContact O-N 3.4Å; S123-F140 WeakPolarHBondContact CA-O 3.24Å; S123-T141 PolarHBondContact OG-OG1 3.07Å
124	I	96.5	Very high	87.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.6	172.9	-59	179.7	0	0	0	108	L112 L113 I114 P138 V139 F140 L174 L179	L112-I124 HydrophobicContact CB-CG2 4.33Å; L112-I124 HydrophobicContact CD1-CG2 4.41Å; L112-I124 HydrophobicContact CD2-CG2 4.16Å; L113-I124 CarbonylContact O-C 3.55Å; L113-I124 WeakPolarHBondContact O-CA 3.5Å; I114-I124 HydrophobicContact CG1-CG1 4.29Å; I114-I124 HydrophobicContact CG2-CG1 4.41Å; I124-P138 CarbonylContact O-C 3.48Å; I124-P138 VanDerWaalsContact O-CA 3.29Å; I124-P138 WeakPolarHBondContact O-CA 3.3Å; I124-P138 WeakPolarHBondContact O-CB 3.31Å; I124-V139 HydrophobicContact CB-CG2 4.28Å; I124-V139 HydrophobicContact CG2-CG2 3.9Å; I124-V139 WeakPolarHBondContact O-CG2 3.19Å; I124-V139 PolarHBondContact O-N 2.84Å; I124-F140 HydrophobicContact CB-CB 4.22Å; I124-F140 HydrophobicContact CD1-CD1 4.02Å; I124-F140 HydrophobicContact CG1-CD1 4.21Å; I124-F140 PolarHBondContact N-O 3.44Å; I124-F140 PolarHBondContact O-N 3.12Å; I124-L174 HydrophobicContact CD1-CD1 3.53Å; I124-L179 HydrophobicContact CD1-CD1 4.31Å; I124-L179 HydrophobicContact CD1-CD2 4.01Å; I124-L179 HydrophobicContact CD1-CG 3.75Å
125	F	93.4	Very high	86.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	149.2	171.2	-64.8	-96.6	0	0	0	109.7	V95 L112 L113 M115 W136 L137 P138 I491	V95-F125 HydrophobicContact CG1-CD1 4.31Å; V95-F125 HydrophobicContact CG1-CE1 3.21Å; V95-F125 HydrophobicContact CG1-CE2 4.45Å; V95-F125 HydrophobicContact CG1-CZ 3.31Å; L112-F125 CarbonylContact C-O 3.55Å; L112-F125 WeakPolarHBondContact CA-O 3.42Å; L113-F125 HydrophobicContact CB-CB 4.29Å; L113-F125 PolarHBondContact N-O 2.85Å; L113-F125 PolarHBondContact O-N 2.8Å; M115-F125 HydrophobicContact CE-CE2 4.07Å; M115-F125 HydrophobicContact SD-CE2 4.27Å; F125-W136 HydrophobicContact CB-CH2 3.99Å; F125-W136 HydrophobicContact CB-CZ2 3.51Å; F125-W136 AromaticContact CD1-CD2 3.89Å; F125-W136 HydrophobicContact CD1-CD2 3.89Å; F125-W136 AromaticContact CD1-CE2 3.91Å; F125-W136 HydrophobicContact CD1-CE3 4.17Å; F125-W136 HydrophobicContact CD1-CG 4.3Å; F125-W136 HydrophobicContact CD1-CZ2 4.29Å; F125-W136 WeakPolarHBondContact CE1-O 3.19Å; F125-W136 HydrophobicContact CG-CH2 4.38Å; F125-W136 HydrophobicContact CG-CZ2 4.18Å; F125-L137 VanDerWaalsContact CE1-C 3.5Å; F125-P138 HydrophobicContact CD1-CB 4.29Å; F125-P138 HydrophobicContact CD2-CB 4.49Å; F125-P138 HydrophobicContact CE1-CB 3.83Å; F125-P138 HydrophobicContact CE1-CG 4.29Å; F125-P138 HydrophobicContact CE2-CB 4.07Å; F125-P138 HydrophobicContact CZ-CB 3.69Å; F125-P138 HydrophobicContact CZ-CG 4.12Å; F125-I491 HydrophobicContact CE2-CD1 4.42Å
126	S	91.1	Very high	86	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.1	169.4	170.5	0	0	0	0	108.9	K128 A129 W136 T284	S126-K128 PolarHBondContact O-N 3.47Å; S126-K128 PolarHBondContact OG-N 2.93Å; S126-K128 VanDerWaalsContact OG-N 3.1Å; S126-A129 PolarHBondContact OG-N 3.44Å; S126-A129 VanDerWaalsContact OG-N 3.08Å; S126-W136 PolarHBondContact O-NE1 3Å; S126-T284 WeakPolarHBondContact OG-CG2 3.4Å
127	F	88	Confident	85.5	Confident	1 Å²	1	39.8 Å²	39.8	0%	0.004	21%	0.213	C	C	.	.	S	Bend	trans	-72.8	-16.5	169.7	-63.4	-58.2	0	0	0	112.3	I105 D111 L113 M131 W136 V481 V483 L503	I105-F127 HydrophobicContact CD1-CE2 4.09Å; I105-F127 HydrophobicContact CD1-CZ 4.06Å; I105-F127 HydrophobicContact CG1-CE2 4.24Å; I105-F127 HydrophobicContact CG1-CZ 4.32Å; D111-F127 WeakPolarHBondContact O-CD2 3.44Å; D111-F127 PolarHBondContact O-N 2.81Å; L113-F127 HydrophobicContact CB-CE1 4.16Å; L113-F127 HydrophobicContact CB-CE2 4.14Å; L113-F127 HydrophobicContact CB-CZ 3.69Å; L113-F127 HydrophobicContact CD1-CZ 4.28Å; L113-F127 HydrophobicContact CD2-CE1 4.36Å; L113-F127 HydrophobicContact CD2-CZ 4.36Å; L113-F127 HydrophobicContact CG-CZ 4.34Å; F127-M131 HydrophobicContact CB-SD 4.01Å; F127-M131 HydrophobicContact CD1-SD 3.8Å; F127-M131 HydrophobicContact CG-SD 4.36Å; F127-M131 WeakPolarHBondContact O-CB 3.45Å; F127-M131 WeakPolarHBondContact O-CE 3.45Å; F127-W136 HydrophobicContact CD1-CH2 4.06Å; F127-W136 AromaticContact CD1-CZ2 3.86Å; F127-W136 HydrophobicContact CD1-CZ2 3.86Å; F127-W136 AromaticContact CE1-CH2 3.9Å; F127-W136 HydrophobicContact CE1-CH2 3.9Å; F127-W136 HydrophobicContact CE1-CZ2 4.15Å; F127-V481 HydrophobicContact CD1-CG1 4.44Å; F127-V481 HydrophobicContact CE1-CG1 3.92Å; F127-V481 HydrophobicContact CE2-CG1 4.26Å; F127-V481 HydrophobicContact CZ-CG1 3.81Å; F127-V483 HydrophobicContact CE1-CG2 3.97Å; F127-V483 HydrophobicContact CZ-CG2 3.74Å; F127-L503 HydrophobicContact CB-CD1 3.81Å; F127-L503 HydrophobicContact CB-CD2 4.06Å
128	K	85	Confident	85.2	Confident	86 Å²	86	41.1 Å²	41.1	37%	0.374	22%	0.222	S	C	.	.	S	Bend	trans	-82.5	-39.8	174.9	-60.3	-173.4	169.8	159.6	0	112	D111 S126 L503	D111-K128 HydrophobicContact CB-CD 4.42Å; D111-K128 HydrophobicContact CB-CG 4.32Å; D111-K128 VanDerWaalsContact CG-CE 3.46Å; D111-K128 WeakPolarHBondContact OD2-CE 3.26Å; D111-K128 IonicContact OD2-NZ 3.33Å; D111-K128 PolarHBondContact OD2-NZ 2.85Å; S126-K128 PolarHBondContact O-N 3.47Å; S126-K128 PolarHBondContact OG-N 2.93Å; S126-K128 VanDerWaalsContact OG-N 3.1Å; K128-L503 HydrophobicContact CG-CB 4.32Å; K128-L503 HydrophobicContact CG-CD2 3.77Å; K128-L503 WeakPolarHBondContact CG-O 3.29Å
129	A	78	Confident	85	Confident	26 Å²	26	38.7 Å²	38.7	22%	0.215	22%	0.215	C	C	.	.	S	Bend	trans	-94.9	125.5	-175.2	0	0	0	0	0	111.2	S126 M131 W136 V139	S126-A129 PolarHBondContact OG-N 3.44Å; S126-A129 VanDerWaalsContact OG-N 3.08Å; A129-M131 PolarHBondContact O-N 2.67Å; A129-W136 PolarHBondContact O-NE1 3Å; A129-W136 VanDerWaalsContact O-NE1 3.13Å; A129-V139 HydrophobicContact CB-CG1 4.38Å
130	G	68.3	Low	84.9	Confident	33 Å²	33	39.7 Å²	39.7	34%	0.34	22%	0.217	S	C	.	.	S	Bend	trans	67.5	0.3	169.1	0	0	0	0	0	116.6	F132 S133	G130-F132 PolarHBondContact O-N 2.91Å; G130-F132 VanDerWaalsContact O-N 3.12Å; G130-S133 WeakPolarHBondContact O-CA 3.46Å; G130-S133 VanDerWaalsContact O-CB 3.27Å; G130-S133 WeakPolarHBondContact O-CB 3.09Å; G130-S133 PolarHBondContact O-N 2.77Å
131	M	72.4	Confident	84.8	Confident	3 Å²	3	35 Å²	35	2%	0.015	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.5	-176.8	-170.9	175.8	66.6	0	0	112.8	L90 K92 F127 A129 I500 L503	L90-M131 HydrophobicContact CD1-CE 4.21Å; L90-M131 HydrophobicContact CD1-CG 3.61Å; L90-M131 HydrophobicContact CD1-SD 4.08Å; K92-M131 WeakPolarHBondContact CE-O 3.4Å; K92-M131 PolarHBondContact NZ-O 2.65Å; F127-M131 HydrophobicContact CB-SD 4.01Å; F127-M131 HydrophobicContact CD1-SD 3.8Å; F127-M131 HydrophobicContact CG-SD 4.36Å; F127-M131 WeakPolarHBondContact O-CB 3.45Å; F127-M131 WeakPolarHBondContact O-CE 3.45Å; A129-M131 PolarHBondContact O-N 2.67Å; M131-I500 HydrophobicContact CE-CG1 3.88Å; M131-L503 HydrophobicContact CE-CD1 4.19Å
132	F	69.2	Low	84.8	Confident	97 Å²	97	36.3 Å²	36.3	43%	0.425	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-5.1	173.4	-63.2	-75.9	0	0	0	114	L90 G130 I500 T504	L90-F132 HydrophobicContact CD1-CD1 4.25Å; L90-F132 HydrophobicContact CD1-CE1 3.77Å; L90-F132 HydrophobicContact CD1-CZ 4.13Å; L90-F132 HydrophobicContact CD2-CD1 4.19Å; L90-F132 HydrophobicContact CD2-CE1 3.99Å; L90-F132 HydrophobicContact CG-CE1 4.44Å; G130-F132 PolarHBondContact O-N 2.91Å; G130-F132 VanDerWaalsContact O-N 3.12Å; F132-I500 HydrophobicContact CE1-CD1 4.49Å; F132-I500 HydrophobicContact CE1-CG2 4.21Å; F132-I500 HydrophobicContact CE2-CG2 3.72Å; F132-I500 HydrophobicContact CZ-CB 4.16Å; F132-I500 HydrophobicContact CZ-CD1 3.96Å; F132-I500 HydrophobicContact CZ-CG1 3.94Å; F132-I500 HydrophobicContact CZ-CG2 3.23Å; F132-T504 HydrophobicContact CD2-CG2 4.16Å; F132-T504 HydrophobicContact CE2-CG2 3.85Å
133	S	66.4	Low	84.5	Confident	57 Å²	57	44.1 Å²	44.1	40%	0.399	24%	0.238	S	C	.	.	S	Bend	trans	-72.7	150.7	172.1	-176.3	0	0	0	0	110.3	K92 G130 S135	K92-S133 PolarHBondContact NZ-O 3.22Å; G130-S133 WeakPolarHBondContact O-CA 3.46Å; G130-S133 VanDerWaalsContact O-CB 3.27Å; G130-S133 WeakPolarHBondContact O-CB 3.09Å; G130-S133 PolarHBondContact O-N 2.77Å; S133-S135 PolarHBondContact O-N 3.12Å; S133-S135 PolarHBondContact OG-N 2.83Å
134	N	64.1	Low	84.1	Confident	144 Å²	144	51.4 Å²	51.4	77%	0.77	27%	0.271	S	S	*	.	S	Bend	trans	-61.9	-31	169.5	-71.2	-15	0	0	0	110.9
135	S	73	Confident	83.9	Confident	77 Å²	77	51.4 Å²	51.4	54%	0.538	27%	0.271	S	S	.	.			trans	-105.7	79.5	176.3	-53.7	0	0	0	0	109.9	S133 L137	S133-S135 PolarHBondContact O-N 3.12Å; S133-S135 PolarHBondContact OG-N 2.83Å; S135-L137 VanDerWaalsContact C-N 3.35Å; S135-L137 PolarHBondContact O-N 3.06Å; S135-L137 VanDerWaalsContact O-N 3.07Å
136	W	84.9	Confident	84.1	Confident	6 Å²	6	51.8 Å²	51.8	2%	0.023	27%	0.273	C	S	.	.			trans	-77.3	89.8	169.4	-172.6	38.3	0	0	0	108.9	K92 V95 L113 F125 S126 F127 A129 I491 V493	K92-W136 HydrophobicContact CB-CE3 4.09Å; K92-W136 HydrophobicContact CD-CB 4.09Å; K92-W136 HydrophobicContact CG-CB 4.42Å; K92-W136 HydrophobicContact CG-CD2 4.48Å; K92-W136 HydrophobicContact CG-CE3 3.71Å; K92-W136 HydrophobicContact CG-CZ3 4.35Å; V95-W136 VanDerWaalsContact CG1-O 3.25Å; V95-W136 WeakPolarHBondContact CG1-O 3.46Å; L113-W136 HydrophobicContact CD2-CH2 3.95Å; F125-W136 HydrophobicContact CB-CH2 3.99Å; F125-W136 HydrophobicContact CB-CZ2 3.51Å; F125-W136 AromaticContact CD1-CD2 3.89Å; F125-W136 HydrophobicContact CD1-CD2 3.89Å; F125-W136 AromaticContact CD1-CE2 3.91Å; F125-W136 HydrophobicContact CD1-CE3 4.17Å; F125-W136 HydrophobicContact CD1-CG 4.3Å; F125-W136 HydrophobicContact CD1-CZ2 4.29Å; F125-W136 WeakPolarHBondContact CE1-O 3.19Å; F125-W136 HydrophobicContact CG-CH2 4.38Å; F125-W136 HydrophobicContact CG-CZ2 4.18Å; S126-W136 PolarHBondContact O-NE1 3Å; F127-W136 HydrophobicContact CD1-CH2 4.06Å; F127-W136 AromaticContact CD1-CZ2 3.86Å; F127-W136 HydrophobicContact CD1-CZ2 3.86Å; F127-W136 AromaticContact CE1-CH2 3.9Å; F127-W136 HydrophobicContact CE1-CH2 3.9Å; F127-W136 HydrophobicContact CE1-CZ2 4.15Å; A129-W136 PolarHBondContact O-NE1 3Å; A129-W136 VanDerWaalsContact O-NE1 3.13Å; W136-I491 HydrophobicContact CZ3-CB 4.33Å; W136-I491 HydrophobicContact CZ3-CD1 4.06Å; W136-I491 HydrophobicContact CZ3-CG2 3.98Å; W136-V493 HydrophobicContact CH2-CG2 4.4Å; W136-V493 HydrophobicContact CZ3-CG2 4.3Å
137	L	87.5	Confident	84.4	Confident	75 Å²	75	56.4 Å²	56.4	39%	0.393	31%	0.306	S	S	.	.			trans	-89.6	153.9	-178.2	-66	176.7	0	0	0	111.4	F125 S135 F290	F125-L137 VanDerWaalsContact CE1-C 3.5Å; S135-L137 VanDerWaalsContact C-N 3.35Å; S135-L137 PolarHBondContact O-N 3.06Å; S135-L137 VanDerWaalsContact O-N 3.07Å; L137-F290 HydrophobicContact CD1-CD1 3.77Å; L137-F290 HydrophobicContact CD1-CE1 3.93Å
138	P	91.1	Very high	84.8	Confident	32 Å²	32	56.9 Å²	56.9	21%	0.208	31%	0.311	C	S	.	.			trans	-67	138.3	175.5	27.4	-33.4	0	0	0	110.6	I124 F125 F140 T141	I124-P138 CarbonylContact O-C 3.48Å; I124-P138 VanDerWaalsContact O-CA 3.29Å; I124-P138 WeakPolarHBondContact O-CA 3.3Å; I124-P138 WeakPolarHBondContact O-CB 3.31Å; F125-P138 HydrophobicContact CD1-CB 4.29Å; F125-P138 HydrophobicContact CD2-CB 4.49Å; F125-P138 HydrophobicContact CE1-CB 3.83Å; F125-P138 HydrophobicContact CE1-CG 4.29Å; F125-P138 HydrophobicContact CE2-CB 4.07Å; F125-P138 HydrophobicContact CZ-CB 3.69Å; F125-P138 HydrophobicContact CZ-CG 4.12Å; P138-F140 VanDerWaalsContact C-N 3.27Å; P138-T141 WeakPolarHBondContact CB-OG1 3.45Å; P138-T141 VanDerWaalsContact CG-OG1 3.23Å; P138-T141 WeakPolarHBondContact CG-OG1 3.48Å
139	V	91.4	Very high	85.4	Confident	14 Å²	14	58.4 Å²	58.4	9%	0.085	31%	0.314	C	S	.	.	S	Bend	trans	-74.5	-23.4	172.3	-64.1	0	0	0	0	111.7	I124 A129 V283	I124-V139 HydrophobicContact CB-CG2 4.28Å; I124-V139 HydrophobicContact CG2-CG2 3.9Å; I124-V139 WeakPolarHBondContact O-CG2 3.19Å; I124-V139 PolarHBondContact O-N 2.84Å; A129-V139 HydrophobicContact CB-CG1 4.38Å; V139-V283 WeakPolarHBondContact CB-O 3.5Å
140	F	94.7	Very high	86.4	Confident	30 Å²	30	57.2 Å²	57.2	13%	0.132	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	143.4	174.3	174	-92	0	0	0	110.7	S123 I124 P138 E142 S177 L179	S123-F140 WeakPolarHBondContact CA-O 3.24Å; I124-F140 HydrophobicContact CB-CB 4.22Å; I124-F140 HydrophobicContact CD1-CD1 4.02Å; I124-F140 HydrophobicContact CG1-CD1 4.21Å; I124-F140 PolarHBondContact N-O 3.44Å; I124-F140 PolarHBondContact O-N 3.12Å; P138-F140 VanDerWaalsContact C-N 3.27Å; F140-E142 HydrophobicContact CE1-CB 3.77Å; F140-E142 HydrophobicContact CZ-CB 4.05Å; F140-S177 VanDerWaalsContact CD2-O 3.23Å; F140-S177 WeakPolarHBondContact CD2-O 3.09Å; F140-L179 HydrophobicContact CD1-CG 4.4Å; F140-L179 HydrophobicContact CE1-CB 3.7Å; F140-L179 HydrophobicContact CE1-CD1 4.28Å; F140-L179 HydrophobicContact CE1-CG 3.97Å; F140-L179 HydrophobicContact CZ-CB 4.09Å
141	T	95.9	Very high	87.9	Confident	31 Å²	31	58.1 Å²	58.1	19%	0.19	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	126.9	175.7	-65.1	0	0	0	0	110.5	V121 V122 S123 P138 Y143	V121-T141 HydrophobicContact CG1-CG2 3.27Å; V122-T141 WeakPolarHBondContact O-CA 3.41Å; S123-T141 PolarHBondContact OG-OG1 3.07Å; P138-T141 WeakPolarHBondContact CB-OG1 3.45Å; P138-T141 VanDerWaalsContact CG-OG1 3.23Å; P138-T141 WeakPolarHBondContact CG-OG1 3.48Å; T141-Y143 HydrophobicContact CG2-CD1 4.2Å; T141-Y143 HydrophobicContact CG2-CD2 4.06Å; T141-Y143 HydrophobicContact CG2-CE1 3.9Å; T141-Y143 HydrophobicContact CG2-CE2 3.75Å; T141-Y143 HydrophobicContact CG2-CG 4.28Å
142	E	95.6	Very high	89.1	Confident	48 Å²	48	58.7 Å²	58.7	22%	0.224	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	99.7	173.8	178.3	49.5	-101	0	0	110.3	V122 F140 H144 S145 W172	V122-E142 PolarHBondContact N-O 2.86Å; V122-E142 PolarHBondContact O-N 2.82Å; F140-E142 HydrophobicContact CE1-CB 3.77Å; F140-E142 HydrophobicContact CZ-CB 4.05Å; E142-H144 WeakPolarHBondContact OE1-CA 3.45Å; E142-H144 PolarHBondContact OE1-N 2.91Å; E142-S145 WeakPolarHBondContact O-CB 3.32Å; E142-W172 HydrophobicContact CG-CH2 4.02Å; E142-W172 HydrophobicContact CG-CZ3 4.12Å
143	Y	91.7	Very high	90.5	Very high	164 Å²	164	54.4 Å²	54.4	64%	0.643	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-24.2	-176.6	-68.9	-80.9	0	0	0	114	V121 T141	V121-Y143 HydrophobicContact CG2-CD1 4.21Å; T141-Y143 HydrophobicContact CG2-CD1 4.2Å; T141-Y143 HydrophobicContact CG2-CD2 4.06Å; T141-Y143 HydrophobicContact CG2-CE1 3.9Å; T141-Y143 HydrophobicContact CG2-CE2 3.75Å; T141-Y143 HydrophobicContact CG2-CG 4.28Å
144	H	87.5	Confident	91.9	Very high	155 Å²	155	53.3 Å²	53.3	72%	0.718	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	27	-179.9	-58.3	91.1	0	0	0	111.5	E142 H146 R170	E142-H144 WeakPolarHBondContact OE1-CA 3.45Å; E142-H144 PolarHBondContact OE1-N 2.91Å; H144-H146 PolarHBondContact O-N 2.92Å; H144-R170 PolarHBondContact O-NH1 3.33Å
145	S	92.2	Very high	93.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-66	-36.5	-174.4	79.3	0	0	0	0	113.1	R120 V122 E142 R170	R120-S145 PolarHBondContact O-OG 2.9Å; V122-S145 PolarHBondContact N-OG 2.82Å; E142-S145 WeakPolarHBondContact O-CB 3.32Å; S145-R170 VanDerWaalsContact C-NH1 3.34Å; S145-R170 WeakPolarHBondContact O-CD 3.43Å; S145-R170 PolarHBondContact O-NE 2.9Å; S145-R170 PolarHBondContact O-NH1 2.86Å; S145-R170 PolarHBondContact O-NH2 2.92Å
146	H	97.7	Very high	94.2	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.037	22%	0.217	C	C	.	.			trans	-155.6	164.7	-180	-83.4	-79.5	0	0	0	111.3	R120 H144 I150 T162 S164 D166 A168	R120-H146 VanDerWaalsContact CB-O 3.29Å; R120-H146 WeakPolarHBondContact CB-O 3.07Å; R120-H146 PolarHBondContact O-N 3.04Å; H144-H146 PolarHBondContact O-N 2.92Å; H146-I150 HydrophobicContact CB-CG1 4.33Å; H146-T162 PolarHBondContact NE2-O 2.7Å; H146-T162 PolarHBondContact NE2-OG1 2.77Å; H146-S164 VanDerWaalsContact CG-CB 3.42Å; H146-S164 WeakPolarHBondContact ND1-CB 3.36Å; H146-D166 WeakPolarHBondContact CA-OD2 3.04Å; H146-D166 WeakPolarHBondContact CB-OD2 3.3Å; H146-D166 IonicContact CE1-OD1 3.55Å; H146-D166 IonicContact CG-OD2 2.71Å; H146-D166 IonicContact ND1-OD1 2.63Å; H146-D166 PolarHBondContact ND1-OD1 3.07Å; H146-D166 IonicContact ND1-OD2 3.82Å; H146-D166 PolarHBondContact ND1-OD2 3.11Å; H146-A168 PolarHBondContact CE1-O 2.94Å
147	S	97.1	Very high	94.4	Very high	98 Å²	98	46.3 Å²	46.3	69%	0.685	23%	0.23	S	C	*	.	S	Bend	trans	-99.1	2.3	172.2	-59.1	0	0	0	0	113.1	D166	S147-D166 PolarHBondContact N-OD2 2.89Å
148	G	97.4	Very high	94.6	Very high	11 Å²	11	44.6 Å²	44.6	11%	0.113	22%	0.222	C	C	.	.	S	Bend	trans	-142.9	175.4	178.7	0	0	0	0	0	112.1	R120 I150 S164	R120-G148 WeakPolarHBondContact CG-O 3.26Å; G148-I150 PolarHBondContact O-N 3.39Å; G148-S164 WeakPolarHBondContact CA-OG 3.48Å; G148-S164 PolarHBondContact O-OG 3.14Å
149	W	98.1	Very high	94.8	Very high	118 Å²	118	44.4 Å²	44.4	45%	0.447	22%	0.22	S	C	.	.			trans	-61.6	133.8	-178.7	-56	-21.2	0	0	0	111.7	R118 W151 S164 W165	R118-W149 HydrophobicContact CB-CD2 4.43Å; R118-W149 HydrophobicContact CB-CG 4.02Å; R118-W149 HydrophobicContact CG-CB 4.23Å; R118-W149 HydrophobicContact CG-CD2 4.01Å; R118-W149 HydrophobicContact CG-CG 3.84Å; R118-W149 PolarHBondContact O-NE1 2.9Å; W149-W151 HydrophobicContact CB-CE3 4.37Å; W149-W151 HydrophobicContact CE3-CE3 4.48Å; W149-W151 AromaticContact CE3-CZ3 3.84Å; W149-W151 HydrophobicContact CE3-CZ3 3.84Å; W149-W151 HydrophobicContact CZ3-CZ3 4.48Å; W149-S164 CarbonylContact O-C 3.44Å; W149-S164 WeakPolarHBondContact O-CA 3.32Å; W149-S164 WeakPolarHBondContact O-CB 3.27Å; W149-S164 PolarHBondContact O-OG 3.39Å; W149-S164 VanDerWaalsContact O-OG 3.05Å; W149-W165 HydrophobicContact CB-CB 4.38Å; W149-W165 HydrophobicContact CB-CG 4.31Å; W149-W165 HydrophobicContact CE3-CG 4.46Å; W149-W165 PolarHBondContact O-N 2.91Å
150	I	98.7	Very high	95.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	126.6	175.5	-60.2	153.1	0	0	0	108.3	A102 D117 V121 V122 H146 G148 I153	A102-I150 HydrophobicContact CB-CG2 4.21Å; D117-I150 PolarHBondContact O-N 3.25Å; V121-I150 VanDerWaalsContact C-CD1 3.42Å; V121-I150 WeakPolarHBondContact O-CD1 3.5Å; V122-I150 HydrophobicContact CG2-CD1 3.6Å; H146-I150 HydrophobicContact CB-CG1 4.33Å; G148-I150 PolarHBondContact O-N 3.39Å; I150-I153 HydrophobicContact CG2-CD1 4.15Å; I150-I153 HydrophobicContact CG2-CG1 3.92Å
151	W	98.3	Very high	95.2	Very high	53 Å²	53	42.3 Å²	42.3	20%	0.201	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	-14.8	-171.2	-147	-95	0	0	0	113.5	D101 W149 G163 W165 V191 L192	D101-W151 HydrophobicContact CB-CD2 4.15Å; D101-W151 HydrophobicContact CB-CE3 3.77Å; D101-W151 HydrophobicContact CB-CZ3 4.03Å; D101-W151 WeakPolarHBondContact OD2-CZ3 3.49Å; W149-W151 HydrophobicContact CB-CE3 4.37Å; W149-W151 HydrophobicContact CE3-CE3 4.48Å; W149-W151 AromaticContact CE3-CZ3 3.84Å; W149-W151 HydrophobicContact CE3-CZ3 3.84Å; W149-W151 HydrophobicContact CZ3-CZ3 4.48Å; W151-G163 PolarHBondContact N-O 3.05Å; W151-W165 AromaticContact CD2-NE1 3.42Å; W151-W165 AromaticContact CE3-CD1 3.69Å; W151-W165 AromaticContact CE3-NE1 3.23Å; W151-W165 AromaticContact CG-NE1 3.89Å; W151-W165 AromaticContact CZ3-NE1 3.72Å; W151-V191 WeakPolarHBondContact CB-O 3.42Å; W151-L192 VanDerWaalsContact CD1-O 3.22Å
152	T	98.6	Very high	95.3	Very high	14 Å²	14	40.8 Å²	40.8	9%	0.086	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	138.6	177.2	-170.9	0	0	0	0	110.6	T162 G163 V191 S194	T152-T162 WeakPolarHBondContact O-CA 3.23Å; T152-G163 PolarHBondContact N-O 2.7Å; T152-G163 PolarHBondContact O-N 2.68Å; T152-V191 HydrophobicContact CG2-CG1 3.77Å; T152-S194 PolarHBondContact OG1-N 3.08Å; T152-S194 VanDerWaalsContact OG1-N 3.08Å; T152-S194 PolarHBondContact OG1-OG 3.25Å; T152-S194 VanDerWaalsContact OG1-OG 3.08Å
153	I	98.6	Very high	95.5	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.036	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.7	171.1	-61.2	-178.5	0	0	0	106.6	A102 H104 I114 M115 G116 I150 V160 I161 T162	A102-I153 HydrophobicContact CB-CB 4.2Å; A102-I153 HydrophobicContact CB-CD1 3.98Å; A102-I153 HydrophobicContact CB-CG1 3.64Å; H104-I153 HydrophobicContact CB-CB 4.01Å; H104-I153 HydrophobicContact CB-CG2 3.62Å; I114-I153 HydrophobicContact CB-CG2 4.31Å; I114-I153 HydrophobicContact CG2-CD1 4.04Å; I114-I153 HydrophobicContact CG2-CG2 4Å; M115-I153 VanDerWaalsContact C-CD1 3.48Å; G116-I153 VanDerWaalsContact N-CD1 3.28Å; I150-I153 HydrophobicContact CG2-CD1 4.15Å; I150-I153 HydrophobicContact CG2-CG1 3.92Å; I153-V160 HydrophobicContact CG2-CG1 4.1Å; I153-I161 VanDerWaalsContact CA-O 3.29Å; I153-I161 WeakPolarHBondContact CA-O 3.28Å; I153-T162 HydrophobicContact CD1-CG2 4.37Å; I153-T162 HydrophobicContact CG1-CG2 4.07Å
154	N	96.3	Very high	95.8	Very high	34 Å²	34	30.7 Å²	30.7	18%	0.182	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	166.3	172	-80.6	-67.9	0	0	0	109.2	I161 S194 F196	N154-I161 HydrophobicContact CB-CD1 4.09Å; N154-I161 HydrophobicContact CB-CG1 3.9Å; N154-I161 PolarHBondContact N-O 2.67Å; N154-I161 WeakPolarHBondContact O-CG1 3.32Å; N154-I161 PolarHBondContact O-N 3.07Å; N154-S194 VanDerWaalsContact ND2-C 3.3Å; N154-S194 PolarHBondContact ND2-O 3.27Å; N154-S194 PolarHBondContact ND2-OG 3.1Å; N154-F196 HydrophobicContact CB-CD2 4.18Å; N154-F196 HydrophobicContact CB-CE2 4.17Å
155	S	94.6	Very high	96.3	Very high	17 Å²	17	27.9 Å²	27.9	12%	0.119	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	154.5	174.7	79.6	0	0	0	0	112.2	H104 V159	H104-S155 VanDerWaalsContact NE2-CB 3.34Å; H104-S155 WeakPolarHBondContact NE2-CB 3.17Å; H104-S155 PolarHBondContact NE2-N 2.89Å; H104-S155 PolarHBondContact NE2-OG 2.95Å; S155-V159 CarbonylContact C-O 3.58Å; S155-V159 WeakPolarHBondContact CA-O 3.41Å; S155-V159 WeakPolarHBondContact CB-O 3.22Å
156	T	91.3	Very high	96.6	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.037	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	128.2	162.6	-175.1	0	0	0	0	107.1	D158 V159 F196 Y240	T156-D158 PolarHBondContact O-N 2.93Å; T156-V159 HydrophobicContact CG2-CB 4.36Å; T156-V159 PolarHBondContact N-O 2.94Å; T156-V159 WeakPolarHBondContact O-CB 3.44Å; T156-V159 PolarHBondContact O-N 3.07Å; T156-F196 HydrophobicContact CG2-CD1 3.66Å; T156-F196 HydrophobicContact CG2-CD2 4.28Å; T156-F196 HydrophobicContact CG2-CE1 3.41Å; T156-F196 VanDerWaalsContact CG2-CE1 3.41Å; T156-F196 HydrophobicContact CG2-CE2 4.07Å; T156-F196 HydrophobicContact CG2-CG 4.09Å; T156-F196 HydrophobicContact CG2-CZ 3.63Å; T156-Y240 PolarHBondContact OG1-OH 2.89Å
157	D	87.8	Confident	96.6	Very high	57 Å²	57	30 Å²	30	31%	0.305	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	-125.3	-171.3	-53.6	-52.9	0	0	0	111.5	Y274	D157-Y274 PolarHBondContact OD1-OH 2.86Å
158	D	92.2	Very high	96.6	Very high	40 Å²	40	25.3 Å²	25.3	21%	0.214	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	2	177.6	-53.1	-31.8	0	0	0	112.7	K108 H109 T156 L174	K108-D158 VanDerWaalsContact CD-OD1 3.29Å; K108-D158 WeakPolarHBondContact CD-OD1 3.38Å; K108-D158 WeakPolarHBondContact CE-OD1 3.05Å; K108-D158 IonicContact NZ-OD1 3.99Å; K108-D158 PolarHBondContact NZ-OD1 3.23Å; K108-D158 IonicContact NZ-OD2 3.63Å; K108-D158 PolarHBondContact NZ-OD2 3.19Å; H109-D158 IonicContact CE1-OD1 3.5Å; H109-D158 IonicContact NE2-OD1 2.88Å; H109-D158 PolarHBondContact NE2-OD1 3.26Å; T156-D158 PolarHBondContact O-N 2.93Å; D158-L174 WeakPolarHBondContact O-CB 3.47Å; D158-L174 PolarHBondContact O-N 2.7Å
159	V	94.8	Very high	96.5	Very high	27 Å²	27	24.8 Å²	24.8	16%	0.164	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.8	179.1	179.7	0	0	0	0	109.3	S155 T156 V171 W172 I216	S155-V159 CarbonylContact C-O 3.58Å; S155-V159 WeakPolarHBondContact CA-O 3.41Å; S155-V159 WeakPolarHBondContact CB-O 3.22Å; T156-V159 HydrophobicContact CG2-CB 4.36Å; T156-V159 PolarHBondContact N-O 2.94Å; T156-V159 WeakPolarHBondContact O-CB 3.44Å; T156-V159 PolarHBondContact O-N 3.07Å; V159-V171 HydrophobicContact CG1-CG1 3.67Å; V159-W172 WeakPolarHBondContact CA-O 3.32Å; V159-I216 HydrophobicContact CG1-CD1 4.17Å; V159-I216 HydrophobicContact CG2-CD1 4.29Å
160	V	97.3	Very high	96.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.7	175.6	177	0	0	0	0	108.7	I114 I153 T162 W172 L174 L179	I114-V160 HydrophobicContact CD1-CB 4.4Å; I114-V160 HydrophobicContact CD1-CG1 3.9Å; I114-V160 HydrophobicContact CD1-CG2 3.55Å; I153-V160 HydrophobicContact CG2-CG1 4.1Å; V160-T162 HydrophobicContact CG1-CG2 4.48Å; V160-W172 HydrophobicContact CB-CB 4.33Å; V160-W172 PolarHBondContact N-O 3.25Å; V160-W172 PolarHBondContact O-N 2.81Å; V160-L174 HydrophobicContact CG2-CB 4Å; V160-L174 HydrophobicContact CG2-CD2 4.47Å; V160-L179 HydrophobicContact CB-CD2 4.17Å; V160-L179 HydrophobicContact CG1-CD2 4.43Å; V160-L179 HydrophobicContact CG2-CD2 4.17Å
161	I	97.5	Very high	96.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143.6	173.5	60	169.5	0	0	0	110.9	I153 N154 R170 V171 S194 F196 L202	I153-I161 VanDerWaalsContact CA-O 3.29Å; I153-I161 WeakPolarHBondContact CA-O 3.28Å; N154-I161 HydrophobicContact CB-CD1 4.09Å; N154-I161 HydrophobicContact CB-CG1 3.9Å; N154-I161 PolarHBondContact N-O 2.67Å; N154-I161 WeakPolarHBondContact O-CG1 3.32Å; N154-I161 PolarHBondContact O-N 3.07Å; I161-R170 CarbonylContact C-O 3.56Å; I161-R170 VanDerWaalsContact CA-O 3.28Å; I161-R170 WeakPolarHBondContact CA-O 3.17Å; I161-V171 HydrophobicContact CG2-CG1 4.5Å; I161-V171 HydrophobicContact CG2-CG2 4.15Å; I161-S194 WeakPolarHBondContact CD1-OG 3.5Å; I161-F196 HydrophobicContact CD1-CD2 4.43Å; I161-F196 HydrophobicContact CD1-CE2 3.78Å; I161-F196 HydrophobicContact CD1-CZ 3.99Å; I161-F196 HydrophobicContact CG1-CE2 3.82Å; I161-F196 HydrophobicContact CG1-CZ 4.09Å; I161-F196 HydrophobicContact CG2-CE2 4.43Å; I161-F196 HydrophobicContact CG2-CZ 3.84Å; I161-L202 HydrophobicContact CD1-CB 4.41Å; I161-L202 HydrophobicContact CD1-CD1 3.98Å; I161-L202 HydrophobicContact CD1-CD2 4.2Å; I161-L202 HydrophobicContact CD1-CG 4.43Å; I161-L202 HydrophobicContact CG2-CD2 4.21Å
162	T	98.7	Very high	96.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.2	176.5	63	0	0	0	0	109.3	V122 H146 T152 I153 V160 L169 R170 W172	V122-T162 HydrophobicContact CG2-CG2 3.87Å; H146-T162 PolarHBondContact NE2-O 2.7Å; H146-T162 PolarHBondContact NE2-OG1 2.77Å; T152-T162 WeakPolarHBondContact O-CA 3.23Å; I153-T162 HydrophobicContact CD1-CG2 4.37Å; I153-T162 HydrophobicContact CG1-CG2 4.07Å; V160-T162 HydrophobicContact CG1-CG2 4.48Å; T162-L169 CarbonylContact O-C 3.09Å; T162-L169 WeakPolarHBondContact O-CA 3.39Å; T162-R170 PolarHBondContact N-O 2.85Å; T162-R170 PolarHBondContact O-N 3.22Å; T162-W172 PolarHBondContact OG1-NE1 3.27Å
163	G	98.5	Very high	96.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.3	178	0	0	0	0	0	111.3	W151 T152	W151-G163 PolarHBondContact N-O 3.05Å; T152-G163 PolarHBondContact N-O 2.7Å; T152-G163 PolarHBondContact O-N 2.68Å
164	S	98.8	Very high	96.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	163.2	-171.5	174.3	0	0	0	0	114.3	H146 G148 W149 D166 G167 A168 V191	H146-S164 VanDerWaalsContact CG-CB 3.42Å; H146-S164 WeakPolarHBondContact ND1-CB 3.36Å; G148-S164 WeakPolarHBondContact CA-OG 3.48Å; G148-S164 PolarHBondContact O-OG 3.14Å; W149-S164 CarbonylContact O-C 3.44Å; W149-S164 WeakPolarHBondContact O-CA 3.32Å; W149-S164 WeakPolarHBondContact O-CB 3.27Å; W149-S164 PolarHBondContact O-OG 3.39Å; W149-S164 VanDerWaalsContact O-OG 3.05Å; S164-D166 VanDerWaalsContact CB-OD1 3.23Å; S164-D166 WeakPolarHBondContact CB-OD1 3.47Å; S164-D166 PolarHBondContact O-N 2.81Å; S164-D166 PolarHBondContact OG-N 2.99Å; S164-D166 PolarHBondContact OG-OD1 3.24Å; S164-G167 PolarHBondContact O-N 2.79Å; S164-G167 VanDerWaalsContact O-N 3.14Å; S164-A168 PolarHBondContact N-O 3.35Å; S164-V191 PolarHBondContact O-N 2.87Å
165	W	98.4	Very high	96	Very high	96 Å²	96	23.2 Å²	23.2	36%	0.364	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.9	169.4	-83.1	79	0	0	0	114.6	W149 W151 G167 P190 L192	W149-W165 HydrophobicContact CB-CB 4.38Å; W149-W165 HydrophobicContact CB-CG 4.31Å; W149-W165 HydrophobicContact CE3-CG 4.46Å; W149-W165 PolarHBondContact O-N 2.91Å; W151-W165 AromaticContact CD2-NE1 3.42Å; W151-W165 AromaticContact CE3-CD1 3.69Å; W151-W165 AromaticContact CE3-NE1 3.23Å; W151-W165 AromaticContact CG-NE1 3.89Å; W151-W165 AromaticContact CZ3-NE1 3.72Å; W165-G167 PolarHBondContact O-N 2.77Å; W165-P190 HydrophobicContact CB-CB 4.5Å; W165-P190 HydrophobicContact CD2-CB 3.83Å; W165-P190 HydrophobicContact CD2-CG 4.18Å; W165-P190 HydrophobicContact CE3-CB 3.65Å; W165-P190 HydrophobicContact CE3-CG 3.5Å; W165-P190 VanDerWaalsContact CE3-CG 3.5Å; W165-P190 HydrophobicContact CG-CB 4.22Å; W165-P190 HydrophobicContact CZ3-CB 4.12Å; W165-P190 HydrophobicContact CZ3-CG 3.88Å; W165-L192 HydrophobicContact CZ2-CD2 3.94Å
166	D	98.4	Very high	95.7	Very high	50 Å²	50	26.1 Å²	26.1	27%	0.267	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-7.8	168.6	63.9	11.8	0	0	0	113.4	H146 S147 S164 A168	H146-D166 WeakPolarHBondContact CA-OD2 3.04Å; H146-D166 WeakPolarHBondContact CB-OD2 3.3Å; H146-D166 IonicContact CE1-OD1 3.55Å; H146-D166 IonicContact CG-OD2 2.71Å; H146-D166 IonicContact ND1-OD1 2.63Å; H146-D166 PolarHBondContact ND1-OD1 3.07Å; H146-D166 IonicContact ND1-OD2 3.82Å; H146-D166 PolarHBondContact ND1-OD2 3.11Å; S147-D166 PolarHBondContact N-OD2 2.89Å; S164-D166 VanDerWaalsContact CB-OD1 3.23Å; S164-D166 WeakPolarHBondContact CB-OD1 3.47Å; S164-D166 PolarHBondContact O-N 2.81Å; S164-D166 PolarHBondContact OG-N 2.99Å; S164-D166 PolarHBondContact OG-OD1 3.24Å; D166-A168 VanDerWaalsContact C-N 3.33Å; D166-A168 VanDerWaalsContact OD1-CB 3.32Å; D166-A168 WeakPolarHBondContact OD1-CB 3.43Å; D166-A168 PolarHBondContact OD1-N 2.78Å
167	G	96.7	Very high	95.5	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.01	16%	0.155	C	C	.	.	S	Bend	trans	78.4	15.5	-179.7	0	0	0	0	0	115	S164 W165 L187 G188 T189	S164-G167 PolarHBondContact O-N 2.79Å; S164-G167 VanDerWaalsContact O-N 3.14Å; W165-G167 PolarHBondContact O-N 2.77Å; G167-L187 WeakPolarHBondContact O-CB 3.39Å; G167-L187 PolarHBondContact O-N 3.24Å; G167-G188 PolarHBondContact O-N 2.86Å; G167-T189 WeakPolarHBondContact CA-O 3.07Å
168	A	96.7	Very high	95.8	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	143.4	167.6	0	0	0	0	0	111.5	H146 S164 D166 I184 Y185	H146-A168 PolarHBondContact CE1-O 2.94Å; S164-A168 PolarHBondContact N-O 3.35Å; D166-A168 VanDerWaalsContact C-N 3.33Å; D166-A168 VanDerWaalsContact OD1-CB 3.32Å; D166-A168 WeakPolarHBondContact OD1-CB 3.43Å; D166-A168 PolarHBondContact OD1-N 2.78Å; A168-I184 HydrophobicContact CB-CD1 3.75Å; A168-I184 HydrophobicContact CB-CG1 3.99Å; A168-Y185 WeakPolarHBondContact CA-O 3.23Å
169	L	96.6	Very high	96	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119.9	156.4	-174	88.9	0	0	0	107.8	T162 I184 Y185 V191 L202 V204 L214	T162-L169 CarbonylContact O-C 3.09Å; T162-L169 WeakPolarHBondContact O-CA 3.39Å; L169-I184 WeakPolarHBondContact O-CA 3.28Å; L169-Y185 HydrophobicContact CD2-CD2 4.22Å; L169-Y185 PolarHBondContact N-O 3Å; L169-Y185 PolarHBondContact O-N 3.37Å; L169-V191 HydrophobicContact CD1-CG1 4.33Å; L169-L202 HydrophobicContact CD2-CD1 3.54Å; L169-L202 HydrophobicContact CD2-CD2 4.1Å; L169-L202 HydrophobicContact CD2-CG 4.44Å; L169-V204 HydrophobicContact CD1-CG2 4.29Å; L169-V204 HydrophobicContact CD2-CG2 3.92Å; L169-L214 HydrophobicContact CD2-CD1 3.82Å
170	R	97.3	Very high	96	Very high	45 Å²	45	27 Å²	27	17%	0.17	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	143.3	177	-70	-176	-176.6	-167.5	10.3	110.9	H144 S145 I161 T162 W172 F181 I184	H144-R170 PolarHBondContact O-NH1 3.33Å; S145-R170 VanDerWaalsContact C-NH1 3.34Å; S145-R170 WeakPolarHBondContact O-CD 3.43Å; S145-R170 PolarHBondContact O-NE 2.9Å; S145-R170 PolarHBondContact O-NH1 2.86Å; S145-R170 PolarHBondContact O-NH2 2.92Å; I161-R170 CarbonylContact C-O 3.56Å; I161-R170 VanDerWaalsContact CA-O 3.28Å; I161-R170 WeakPolarHBondContact CA-O 3.17Å; T162-R170 PolarHBondContact N-O 2.85Å; T162-R170 PolarHBondContact O-N 3.22Å; R170-W172 HydrophobicContact CB-CZ2 3.72Å; R170-W172 VanDerWaalsContact CD-CZ2 3.42Å; R170-W172 HydrophobicContact CG-CZ2 4.24Å; R170-F181 HydrophobicContact CB-CE2 4.44Å; R170-F181 HydrophobicContact CG-CE2 4.18Å; R170-I184 HydrophobicContact CG-CB 4.29Å; R170-I184 HydrophobicContact CG-CD1 3.83Å; R170-I184 HydrophobicContact CG-CG1 3.89Å
171	V	96.5	Very high	95.9	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.2	175.7	-175	0	0	0	0	108.1	V159 I161 Q182 S183 Y185 I216	V159-V171 HydrophobicContact CG1-CG1 3.67Å; I161-V171 HydrophobicContact CG2-CG1 4.5Å; I161-V171 HydrophobicContact CG2-CG2 4.15Å; V171-Q182 HydrophobicContact CG1-CB 4.4Å; V171-Q182 WeakPolarHBondContact O-CB 3.47Å; V171-Q182 PolarHBondContact O-N 2.86Å; V171-S183 WeakPolarHBondContact CB-OG 3.04Å; V171-S183 WeakPolarHBondContact CG2-OG 3.34Å; V171-S183 PolarHBondContact N-O 3.02Å; V171-S183 PolarHBondContact O-N 2.88Å; V171-Y185 HydrophobicContact CG2-CD2 4.22Å; V171-Y185 HydrophobicContact CG2-CE2 3.83Å; V171-I216 HydrophobicContact CG2-CG2 4.5Å
172	W	97.2	Very high	95.8	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	150.5	-177.4	-44.8	87	0	0	0	109.1	E142 V159 V160 T162 R170 L179 A180 F181	E142-W172 HydrophobicContact CG-CH2 4.02Å; E142-W172 HydrophobicContact CG-CZ3 4.12Å; V159-W172 WeakPolarHBondContact CA-O 3.32Å; V160-W172 HydrophobicContact CB-CB 4.33Å; V160-W172 PolarHBondContact N-O 3.25Å; V160-W172 PolarHBondContact O-N 2.81Å; T162-W172 PolarHBondContact OG1-NE1 3.27Å; R170-W172 HydrophobicContact CB-CZ2 3.72Å; R170-W172 VanDerWaalsContact CD-CZ2 3.42Å; R170-W172 HydrophobicContact CG-CZ2 4.24Å; W172-L179 HydrophobicContact CB-CB 4.26Å; W172-L179 HydrophobicContact CB-CD2 4.01Å; W172-L179 HydrophobicContact CD2-CB 4.46Å; W172-L179 HydrophobicContact CE3-CB 4.13Å; W172-L179 HydrophobicContact CG-CD1 4.45Å; W172-A180 CarbonylContact C-O 3.56Å; W172-A180 VanDerWaalsContact CA-O 3.32Å; W172-A180 WeakPolarHBondContact CA-O 3.14Å; W172-F181 HydrophobicContact CE3-CB 3.89Å; W172-F181 HydrophobicContact CE3-CD2 4.09Å; W172-F181 HydrophobicContact CH2-CD2 4.05Å; W172-F181 HydrophobicContact CZ3-CB 3.73Å; W172-F181 AromaticContact CZ3-CD2 3.81Å; W172-F181 HydrophobicContact CZ3-CD2 3.81Å; W172-F181 HydrophobicContact CZ3-CG 4.26Å
173	K	95.8	Very high	95.5	Very high	111 Å²	111	37.9 Å²	37.9	48%	0.483	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.2	162.9	-173.9	177	-179.1	178.3	0	108.7	T175 A180	K173-T175 HydrophobicContact CB-CG2 4.48Å; K173-T175 HydrophobicContact CD-CG2 4.29Å; K173-T175 HydrophobicContact CG-CG2 4.04Å; K173-A180 PolarHBondContact N-O 2.89Å; K173-A180 PolarHBondContact O-N 2.8Å
174	L	96.5	Very high	95.3	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	125.7	169.8	-172.4	63.6	0	0	0	108.9	P106 H109 L112 I124 D158 V160 L179 L280	P106-L174 HydrophobicContact CG-CD2 4.33Å; H109-L174 HydrophobicContact CB-CD2 4.39Å; L112-L174 HydrophobicContact CD1-CD2 4.15Å; I124-L174 HydrophobicContact CD1-CD1 3.53Å; D158-L174 WeakPolarHBondContact O-CB 3.47Å; D158-L174 PolarHBondContact O-N 2.7Å; V160-L174 HydrophobicContact CG2-CB 4Å; V160-L174 HydrophobicContact CG2-CD2 4.47Å; L174-L179 HydrophobicContact CB-CD2 4.38Å; L174-L179 HydrophobicContact CD1-CD2 3.79Å; L174-L280 HydrophobicContact CB-CD1 4.37Å; L174-L280 HydrophobicContact CD2-CD1 3.99Å; L174-L280 HydrophobicContact CG-CD1 3.63Å
175	T	95	Very high	95.1	Very high	30 Å²	30	40.9 Å²	40.9	18%	0.184	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	176.4	-176.7	74.2	0	0	0	0	110.6	K173 S177 G178 A180	K173-T175 HydrophobicContact CB-CG2 4.48Å; K173-T175 HydrophobicContact CD-CG2 4.29Å; K173-T175 HydrophobicContact CG-CG2 4.04Å; T175-S177 PolarHBondContact O-N 3.12Å; T175-S177 VanDerWaalsContact O-N 3.11Å; T175-S177 PolarHBondContact OG1-N 2.85Å; T175-S177 PolarHBondContact OG1-OG 3.49Å; T175-S177 VanDerWaalsContact OG1-OG 3.07Å; T175-G178 PolarHBondContact N-O 3.25Å; T175-G178 PolarHBondContact O-N 2.98Å; T175-G178 VanDerWaalsContact O-N 3.14Å; T175-G178 PolarHBondContact OG1-O 2.79Å; T175-A180 HydrophobicContact CG2-CB 4.19Å
176	N	88.7	Confident	94.9	Very high	77 Å²	77	41.7 Å²	41.7	41%	0.412	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.2	174.5	-79	-9.3	0	0	0	114	E279 L280 S282 V283	N176-E279 PolarHBondContact OD1-O 3.37Å; N176-L280 WeakPolarHBondContact OD1-CA 3.18Å; N176-L280 WeakPolarHBondContact OD1-CD2 3.38Å; N176-S282 WeakPolarHBondContact CB-OG 3.31Å; N176-S282 PolarHBondContact ND2-OG 2.96Å; N176-S282 PolarHBondContact OD1-OG 2.79Å; N176-V283 WeakPolarHBondContact O-CA 3.32Å; N176-V283 WeakPolarHBondContact O-CB 3.44Å; N176-V283 VanDerWaalsContact O-CG2 3.25Å; N176-V283 WeakPolarHBondContact O-CG2 3.47Å; N176-V283 PolarHBondContact O-N 3.44Å
177	S	86.6	Confident	94.6	Very high	92 Å²	92	40.1 Å²	40.1	64%	0.643	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.5	10.7	-177.8	65.2	0	0	0	0	112.6	F140 T175	F140-S177 VanDerWaalsContact CD2-O 3.23Å; F140-S177 WeakPolarHBondContact CD2-O 3.09Å; T175-S177 PolarHBondContact O-N 3.12Å; T175-S177 VanDerWaalsContact O-N 3.11Å; T175-S177 PolarHBondContact OG1-N 2.85Å; T175-S177 PolarHBondContact OG1-OG 3.49Å; T175-S177 VanDerWaalsContact OG1-OG 3.07Å
178	G	93.2	Very high	94.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	110.6	-133.8	-179.1	0	0	0	0	0	113.4	T175	T175-G178 PolarHBondContact N-O 3.25Å; T175-G178 PolarHBondContact O-N 2.98Å; T175-G178 VanDerWaalsContact O-N 3.14Å; T175-G178 PolarHBondContact OG1-O 2.79Å
179	L	96.5	Very high	94.4	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.063	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.6	179.8	-63.3	174.6	0	0	0	111.1	V122 I124 F140 V160 W172 L174	V122-L179 HydrophobicContact CB-CD1 4.26Å; V122-L179 HydrophobicContact CG1-CD1 3.5Å; V122-L179 VanDerWaalsContact CG1-CD1 3.5Å; I124-L179 HydrophobicContact CD1-CD1 4.31Å; I124-L179 HydrophobicContact CD1-CD2 4.01Å; I124-L179 HydrophobicContact CD1-CG 3.75Å; F140-L179 HydrophobicContact CD1-CG 4.4Å; F140-L179 HydrophobicContact CE1-CB 3.7Å; F140-L179 HydrophobicContact CE1-CD1 4.28Å; F140-L179 HydrophobicContact CE1-CG 3.97Å; F140-L179 HydrophobicContact CZ-CB 4.09Å; V160-L179 HydrophobicContact CB-CD2 4.17Å; V160-L179 HydrophobicContact CG1-CD2 4.43Å; V160-L179 HydrophobicContact CG2-CD2 4.17Å; W172-L179 HydrophobicContact CB-CB 4.26Å; W172-L179 HydrophobicContact CB-CD2 4.01Å; W172-L179 HydrophobicContact CD2-CB 4.46Å; W172-L179 HydrophobicContact CE3-CB 4.13Å; W172-L179 HydrophobicContact CG-CD1 4.45Å; L174-L179 HydrophobicContact CB-CD2 4.38Å; L174-L179 HydrophobicContact CD1-CD2 3.79Å
180	A	95.9	Very high	94.5	Very high	44 Å²	44	45.5 Å²	45.5	36%	0.364	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.1	167	0	0	0	0	0	109.4	W172 K173 T175 Q182	W172-A180 CarbonylContact C-O 3.56Å; W172-A180 VanDerWaalsContact CA-O 3.32Å; W172-A180 WeakPolarHBondContact CA-O 3.14Å; K173-A180 PolarHBondContact N-O 2.89Å; K173-A180 PolarHBondContact O-N 2.8Å; T175-A180 HydrophobicContact CG2-CB 4.19Å; A180-Q182 PolarHBondContact O-N 2.78Å
181	F	95.3	Very high	94.6	Very high	112 Å²	112	43.4 Å²	43.4	49%	0.491	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	132.5	175.2	178.7	-102.9	0	0	0	110.9	R170 W172 S183 I184	R170-F181 HydrophobicContact CB-CE2 4.44Å; R170-F181 HydrophobicContact CG-CE2 4.18Å; W172-F181 HydrophobicContact CE3-CB 3.89Å; W172-F181 HydrophobicContact CE3-CD2 4.09Å; W172-F181 HydrophobicContact CH2-CD2 4.05Å; W172-F181 HydrophobicContact CZ3-CB 3.73Å; W172-F181 AromaticContact CZ3-CD2 3.81Å; W172-F181 HydrophobicContact CZ3-CD2 3.81Å; W172-F181 HydrophobicContact CZ3-CG 4.26Å; F181-S183 VanDerWaalsContact CE2-O 3.26Å; F181-S183 WeakPolarHBondContact CE2-O 3.4Å; F181-I184 HydrophobicContact CE2-CB 4.24Å; F181-I184 HydrophobicContact CZ-CB 3.99Å; F181-I184 HydrophobicContact CZ-CG2 4.14Å
182	Q	93.6	Very high	94.7	Very high	107 Å²	107	43.9 Å²	43.9	50%	0.5	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-53.4	179.6	-171.7	174.5	8	0	0	111.7	V171 A180	V171-Q182 HydrophobicContact CG1-CB 4.4Å; V171-Q182 WeakPolarHBondContact O-CB 3.47Å; V171-Q182 PolarHBondContact O-N 2.86Å; A180-Q182 PolarHBondContact O-N 2.78Å
183	S	93.7	Very high	94.7	Very high	10 Å²	10	44.1 Å²	44.1	7%	0.07	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	174.1	-177.1	68	0	0	0	0	112.9	V171 F181	V171-S183 WeakPolarHBondContact CB-OG 3.04Å; V171-S183 WeakPolarHBondContact CG2-OG 3.34Å; V171-S183 PolarHBondContact N-O 3.02Å; V171-S183 PolarHBondContact O-N 2.88Å; F181-S183 VanDerWaalsContact CE2-O 3.26Å; F181-S183 WeakPolarHBondContact CE2-O 3.4Å
184	I	94.5	Very high	94.8	Very high	59 Å²	59	39 Å²	39	30%	0.303	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	136.2	-177.8	-173.4	165.9	0	0	0	111.1	A168 L169 R170 F181 Q186	A168-I184 HydrophobicContact CB-CD1 3.75Å; A168-I184 HydrophobicContact CB-CG1 3.99Å; L169-I184 WeakPolarHBondContact O-CA 3.28Å; R170-I184 HydrophobicContact CG-CB 4.29Å; R170-I184 HydrophobicContact CG-CD1 3.83Å; R170-I184 HydrophobicContact CG-CG1 3.89Å; F181-I184 HydrophobicContact CE2-CB 4.24Å; F181-I184 HydrophobicContact CZ-CB 3.99Å; F181-I184 HydrophobicContact CZ-CG2 4.14Å; I184-Q186 HydrophobicContact CG1-CG 4.46Å
185	Y	94.3	Very high	94.7	Very high	5 Å²	5	39.6 Å²	39.6	2%	0.02	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.9	168.1	-62	-91.3	0	0	0	109	A168 L169 V171 L187 L214 D215 I216 S218	A168-Y185 WeakPolarHBondContact CA-O 3.23Å; L169-Y185 HydrophobicContact CD2-CD2 4.22Å; L169-Y185 PolarHBondContact N-O 3Å; L169-Y185 PolarHBondContact O-N 3.37Å; V171-Y185 HydrophobicContact CG2-CD2 4.22Å; V171-Y185 HydrophobicContact CG2-CE2 3.83Å; Y185-L187 PolarHBondContact O-N 3.36Å; Y185-L214 HydrophobicContact CD1-CD1 4.1Å; Y185-L214 HydrophobicContact CD1-CD2 4.09Å; Y185-L214 HydrophobicContact CD1-CG 4.49Å; Y185-L214 HydrophobicContact CD2-CD1 4.18Å; Y185-L214 HydrophobicContact CE1-CB 4.37Å; Y185-L214 HydrophobicContact CE1-CD2 4.47Å; Y185-L214 HydrophobicContact CG-CD1 3.83Å; Y185-D215 PolarHBondContact OH-O 3.02Å; Y185-I216 VanDerWaalsContact OH-CA 3.31Å; Y185-I216 WeakPolarHBondContact OH-CA 3.29Å; Y185-S218 WeakPolarHBondContact CE1-O 3.35Å; Y185-S218 PolarHBondContact OH-O 3.4Å
186	Q	93.6	Very high	94.7	Very high	112 Å²	112	38.5 Å²	38.5	52%	0.523	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	101.4	176	-64.5	-67.7	6.5	0	0	109.6	I184 Q221	I184-Q186 HydrophobicContact CG1-CG 4.46Å; Q186-Q221 PolarHBondContact O-NE2 3.45Å
187	L	93.3	Very high	94.8	Very high	17 Å²	17	36 Å²	36	9%	0.089	22%	0.215	C	C	.	.			trans	-90.3	-18.3	-178.4	-58.5	179.4	0	0	0	112.4	G167 Y185 T189 V191 V204 T206 Y212 L214	G167-L187 WeakPolarHBondContact O-CB 3.39Å; G167-L187 PolarHBondContact O-N 3.24Å; Y185-L187 PolarHBondContact O-N 3.36Å; L187-T189 HydrophobicContact CB-CG2 4.29Å; L187-T189 PolarHBondContact O-N 2.6Å; L187-V191 HydrophobicContact CD1-CG2 3.85Å; L187-V204 HydrophobicContact CD1-CB 4.38Å; L187-V204 HydrophobicContact CD1-CG1 3.92Å; L187-T206 HydrophobicContact CD1-CG2 4.04Å; L187-Y212 HydrophobicContact CD1-CD2 4.13Å; L187-Y212 HydrophobicContact CD1-CG 4.49Å; L187-Y212 HydrophobicContact CD2-CD1 4.16Å; L187-Y212 HydrophobicContact CD2-CD2 4.34Å; L187-Y212 HydrophobicContact CD2-CE1 4.48Å; L187-Y212 HydrophobicContact CD2-CG 4.1Å; L187-L214 HydrophobicContact CD2-CD1 4.4Å
188	G	92.8	Very high	94.8	Very high	77 Å²	77	34.3 Å²	34.3	79%	0.794	20%	0.199	S	C	*	.	S	Bend	trans	72.2	10.8	177.2	0	0	0	0	0	114.7	G167	G167-G188 PolarHBondContact O-N 2.86Å
189	T	96.4	Very high	94.6	Very high	13 Å²	13	36.5 Å²	36.5	8%	0.08	21%	0.214	C	C	.	.	S	Bend	trans	-145.1	145.8	178.3	168.7	0	0	0	0	109.6	G167 L187 V191 T206 D208 Y212	G167-T189 WeakPolarHBondContact CA-O 3.07Å; L187-T189 HydrophobicContact CB-CG2 4.29Å; L187-T189 PolarHBondContact O-N 2.6Å; T189-V191 PolarHBondContact O-N 3.39Å; T189-T206 HydrophobicContact CG2-CG2 3.83Å; T189-D208 HydrophobicContact CG2-CB 3.98Å; T189-D208 WeakPolarHBondContact OG1-CB 3.32Å; T189-D208 PolarHBondContact OG1-N 3.15Å; T189-D208 VanDerWaalsContact OG1-N 3.13Å; T189-Y212 HydrophobicContact CG2-CE2 4.45Å
190	P	98.6	Very high	94.3	Very high	26 Å²	26	36.4 Å²	36.4	17%	0.169	21%	0.214	C	C	.	.			trans	-48.6	130.2	175.8	-29.7	34.9	0	0	0	113.4	W165 L192 T206 H207	W165-P190 HydrophobicContact CB-CB 4.5Å; W165-P190 HydrophobicContact CD2-CB 3.83Å; W165-P190 HydrophobicContact CD2-CG 4.18Å; W165-P190 HydrophobicContact CE3-CB 3.65Å; W165-P190 HydrophobicContact CE3-CG 3.5Å; W165-P190 VanDerWaalsContact CE3-CG 3.5Å; W165-P190 HydrophobicContact CG-CB 4.22Å; W165-P190 HydrophobicContact CZ3-CB 4.12Å; W165-P190 HydrophobicContact CZ3-CG 3.88Å; P190-L192 HydrophobicContact CB-CD2 4.45Å; P190-T206 WeakPolarHBondContact O-CA 3.36Å; P190-H207 HydrophobicContact CB-CB 3.87Å; P190-H207 HydrophobicContact CG-CB 4.14Å; P190-H207 PolarHBondContact O-N 2.82Å
191	V	98.4	Very high	94.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.1	174.2	176.6	0	0	0	0	109.1	W151 T152 S164 L169 L187 T189 V204 T206	W151-V191 WeakPolarHBondContact CB-O 3.42Å; T152-V191 HydrophobicContact CG2-CG1 3.77Å; S164-V191 PolarHBondContact O-N 2.87Å; L169-V191 HydrophobicContact CD1-CG1 4.33Å; L187-V191 HydrophobicContact CD1-CG2 3.85Å; T189-V191 PolarHBondContact O-N 3.39Å; V191-V204 HydrophobicContact CB-CG1 4.29Å; V191-V204 HydrophobicContact CG1-CG1 3.38Å; V191-V204 HydrophobicContact CG2-CG1 4.07Å; V191-T206 HydrophobicContact CG2-CG2 4.34Å
192	L	98.6	Very high	93.9	Very high	11 Å²	11	30.5 Å²	30.5	6%	0.058	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-24.2	-171.6	-60.9	-178.1	0	0	0	113.1	W151 W165 P190 G205 H207 A232 V233 L234	W151-L192 VanDerWaalsContact CD1-O 3.22Å; W165-L192 HydrophobicContact CZ2-CD2 3.94Å; P190-L192 HydrophobicContact CB-CD2 4.45Å; L192-G205 PolarHBondContact N-O 2.82Å; L192-H207 HydrophobicContact CD1-CB 3.99Å; L192-H207 HydrophobicContact CG-CB 4.34Å; L192-A232 HydrophobicContact CD1-CB 3.98Å; L192-V233 VanDerWaalsContact CB-O 3.26Å; L192-V233 WeakPolarHBondContact CB-O 3.48Å; L192-V233 WeakPolarHBondContact CD1-O 3.42Å; L192-L234 HydrophobicContact CD1-CD2 4.35Å
193	C	98.3	Very high	94	Very high	9 Å²	9	25.4 Å²	25.4	6%	0.061	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	150.9	177	54.2	0	0	0	0	110	V204 G205 C235 I236	C193-V204 CarbonylContact O-C 3.58Å; C193-V204 WeakPolarHBondContact O-CA 3.15Å; C193-G205 PolarHBondContact N-O 3.35Å; C193-G205 PolarHBondContact O-N 2.85Å; C193-C235 VanDerWaalsContact SG-C 3.51Å; C193-I236 HydrophobicContact CB-CB 4.25Å; C193-I236 HydrophobicContact CB-CG2 3.68Å
194	S	97.1	Very high	94.1	Very high	5 Å²	5	24.9 Å²	24.9	4%	0.035	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	161.4	171.4	65.7	0	0	0	0	110.6	T152 N154 I161 A203 I236	T152-S194 PolarHBondContact OG1-N 3.08Å; T152-S194 VanDerWaalsContact OG1-N 3.08Å; T152-S194 PolarHBondContact OG1-OG 3.25Å; T152-S194 VanDerWaalsContact OG1-OG 3.08Å; N154-S194 VanDerWaalsContact ND2-C 3.3Å; N154-S194 PolarHBondContact ND2-O 3.27Å; N154-S194 PolarHBondContact ND2-OG 3.1Å; I161-S194 WeakPolarHBondContact CD1-OG 3.5Å; S194-A203 CarbonylContact C-O 3.59Å; S194-A203 WeakPolarHBondContact CA-O 3.3Å; S194-I236 VanDerWaalsContact O-CG2 3.31Å; S194-I236 WeakPolarHBondContact O-CG2 3.19Å
195	S	95.4	Very high	94.2	Very high	13 Å²	13	22.1 Å²	22.1	9%	0.091	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	147.3	167.4	-171.9	0	0	0	0	109.9	L202 A203 A238	S195-L202 WeakPolarHBondContact O-CA 3.41Å; S195-A203 PolarHBondContact N-O 3.19Å; S195-A203 PolarHBondContact O-N 3.35Å; S195-A238 WeakPolarHBondContact OG-CB 3.47Å; S195-A238 PolarHBondContact OG-N 3.42Å
196	F	93.5	Very high	94.4	Very high	7 Å²	7	21.9 Å²	21.9	3%	0.031	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	130.4	176.4	-80.8	-80.9	0	0	0	110.5	N154 T156 I161 D198 L202 I216 A238 Y240	N154-F196 HydrophobicContact CB-CD2 4.18Å; N154-F196 HydrophobicContact CB-CE2 4.17Å; T156-F196 HydrophobicContact CG2-CD1 3.66Å; T156-F196 HydrophobicContact CG2-CD2 4.28Å; T156-F196 HydrophobicContact CG2-CE1 3.41Å; T156-F196 VanDerWaalsContact CG2-CE1 3.41Å; T156-F196 HydrophobicContact CG2-CE2 4.07Å; T156-F196 HydrophobicContact CG2-CG 4.09Å; T156-F196 HydrophobicContact CG2-CZ 3.63Å; I161-F196 HydrophobicContact CD1-CD2 4.43Å; I161-F196 HydrophobicContact CD1-CE2 3.78Å; I161-F196 HydrophobicContact CD1-CZ 3.99Å; I161-F196 HydrophobicContact CG1-CE2 3.82Å; I161-F196 HydrophobicContact CG1-CZ 4.09Å; I161-F196 HydrophobicContact CG2-CE2 4.43Å; I161-F196 HydrophobicContact CG2-CZ 3.84Å; F196-D198 WeakPolarHBondContact CD1-O 3.41Å; F196-L202 HydrophobicContact CD1-CB 3.82Å; F196-L202 HydrophobicContact CE1-CB 3.97Å; F196-L202 HydrophobicContact CE1-CD2 4.18Å; F196-L202 HydrophobicContact CG-CB 4.36Å; F196-I216 HydrophobicContact CE1-CG2 4.42Å; F196-A238 WeakPolarHBondContact O-CB 3.42Å; F196-Y240 WeakPolarHBondContact O-CB 3.24Å
197	L	90.3	Very high	94.6	Very high	24 Å²	24	21.2 Å²	21.2	13%	0.126	14%	0.137	C	C	.	.	S	Bend	trans	-84.8	-38.8	170.8	-75.6	164.6	0	0	0	111.3	T201 A203 L213 A238 Y240 H352 L353 V367	L197-T201 HydrophobicContact CB-CG2 4.45Å; L197-T201 HydrophobicContact CD1-CG2 3.94Å; L197-T201 PolarHBondContact N-O 2.98Å; L197-A203 HydrophobicContact CD1-CB 4.29Å; L197-A203 HydrophobicContact CG-CB 4.49Å; L197-L213 HydrophobicContact CD1-CD2 3.54Å; L197-A238 HydrophobicContact CD2-CB 3.95Å; L197-A238 HydrophobicContact CG-CB 4.41Å; L197-Y240 VanDerWaalsContact O-CD2 3.24Å; L197-Y240 WeakPolarHBondContact O-CD2 3.4Å; L197-H352 HydrophobicContact CD2-CB 4.31Å; L197-L353 HydrophobicContact CD2-CB 4.11Å; L197-L353 HydrophobicContact CD2-CD1 4.11Å; L197-V367 HydrophobicContact CD1-CG1 3.68Å; L197-V367 HydrophobicContact CD2-CG1 3.91Å; L197-V367 HydrophobicContact CG-CG1 4.48Å
198	D	88.7	Confident	94.8	Very high	58 Å²	58	22.1 Å²	22.1	31%	0.31	14%	0.142	S	C	.	.	S	Bend	trans	-147.1	-171.7	173.9	64.1	63.6	0	0	0	110.2	F196 S200 T201 Y240	F196-D198 WeakPolarHBondContact CD1-O 3.41Å; D198-S200 PolarHBondContact O-N 3.3Å; D198-S200 VanDerWaalsContact O-N 3.15Å; D198-S200 WeakPolarHBondContact OD1-CA 3.42Å; D198-S200 WeakPolarHBondContact OD1-CB 3.39Å; D198-S200 PolarHBondContact OD1-N 3.31Å; D198-S200 PolarHBondContact OD1-OG 2.84Å; D198-T201 PolarHBondContact N-O 3.48Å; D198-T201 PolarHBondContact OD1-N 2.86Å; D198-T201 PolarHBondContact OD1-OG1 2.88Å; D198-T201 WeakPolarHBondContact OD2-CB 2.9Å; D198-T201 PolarHBondContact OD2-OG1 2.85Å; D198-Y240 HydrophobicContact CB-CE2 4.4Å
199	S	88.5	Confident	94.9	Very high	46 Å²	46	24.2 Å²	24.2	32%	0.322	13%	0.126	S	C	.	.	S	Bend	trans	-68.1	-9	-179.7	60.3	0	0	0	0	114.7	I216 Y240	S199-I216 WeakPolarHBondContact O-CD1 3.35Å; S199-Y240 PolarHBondContact N-OH 2.71Å
200	S	89.6	Confident	94.8	Very high	10 Å²	10	24.1 Å²	24.1	7%	0.07	13%	0.125	C	C	.	.	S	Bend	trans	-124.5	-34.1	-180	27.1	0	0	0	0	113.9	D198 D215 I216 R217	D198-S200 PolarHBondContact O-N 3.3Å; D198-S200 VanDerWaalsContact O-N 3.15Å; D198-S200 WeakPolarHBondContact OD1-CA 3.42Å; D198-S200 WeakPolarHBondContact OD1-CB 3.39Å; D198-S200 PolarHBondContact OD1-N 3.31Å; D198-S200 PolarHBondContact OD1-OG 2.84Å; S200-D215 CarbonylContact O-C 3.56Å; S200-D215 WeakPolarHBondContact O-CA 3.47Å; S200-I216 WeakPolarHBondContact O-CG1 3.25Å; S200-I216 PolarHBondContact O-N 2.63Å; S200-R217 PolarHBondContact OG-NH1 2.89Å; S200-R217 PolarHBondContact OG-NH2 2.69Å; S200-R217 VanDerWaalsContact OG-NH2 3.13Å
201	T	91.3	Very high	94.7	Very high	31 Å²	31	23 Å²	23	19%	0.19	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.5	-173.6	-44.9	0	0	0	0	109.9	L197 D198 L214	L197-T201 HydrophobicContact CB-CG2 4.45Å; L197-T201 HydrophobicContact CD1-CG2 3.94Å; L197-T201 PolarHBondContact N-O 2.98Å; D198-T201 PolarHBondContact N-O 3.48Å; D198-T201 PolarHBondContact OD1-N 2.86Å; D198-T201 PolarHBondContact OD1-OG1 2.88Å; D198-T201 WeakPolarHBondContact OD2-CB 2.9Å; D198-T201 PolarHBondContact OD2-OG1 2.85Å; T201-L214 CarbonylContact C-O 3.51Å; T201-L214 WeakPolarHBondContact CA-O 3.48Å
202	L	92.3	Very high	94.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	149.9	174.1	73.4	103.3	0	0	0	110.8	I161 L169 S195 F196 V204 L214 I216	I161-L202 HydrophobicContact CD1-CB 4.41Å; I161-L202 HydrophobicContact CD1-CD1 3.98Å; I161-L202 HydrophobicContact CD1-CD2 4.2Å; I161-L202 HydrophobicContact CD1-CG 4.43Å; I161-L202 HydrophobicContact CG2-CD2 4.21Å; L169-L202 HydrophobicContact CD2-CD1 3.54Å; L169-L202 HydrophobicContact CD2-CD2 4.1Å; L169-L202 HydrophobicContact CD2-CG 4.44Å; S195-L202 WeakPolarHBondContact O-CA 3.41Å; F196-L202 HydrophobicContact CD1-CB 3.82Å; F196-L202 HydrophobicContact CE1-CB 3.97Å; F196-L202 HydrophobicContact CE1-CD2 4.18Å; F196-L202 HydrophobicContact CG-CB 4.36Å; L202-V204 HydrophobicContact CD1-CG2 3.2Å; L202-L214 HydrophobicContact CD1-CB 4.46Å; L202-L214 HydrophobicContact CD1-CD1 4.38Å; L202-L214 HydrophobicContact CG-CB 4.19Å; L202-L214 PolarHBondContact N-O 3.43Å; L202-L214 PolarHBondContact O-N 3.39Å; L202-I216 HydrophobicContact CD2-CG2 3.44Å; L202-I216 VanDerWaalsContact CD2-CG2 3.44Å
203	A	94.3	Very high	94.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.6	173.2	0	0	0	0	0	110.1	S194 S195 L197 V211 Y212 L213 I236 L353	S194-A203 CarbonylContact C-O 3.59Å; S194-A203 WeakPolarHBondContact CA-O 3.3Å; S195-A203 PolarHBondContact N-O 3.19Å; S195-A203 PolarHBondContact O-N 3.35Å; L197-A203 HydrophobicContact CD1-CB 4.29Å; L197-A203 HydrophobicContact CG-CB 4.49Å; A203-V211 HydrophobicContact CB-CG1 4.38Å; A203-Y212 CarbonylContact C-O 3.1Å; A203-Y212 VanDerWaalsContact CA-O 3.29Å; A203-Y212 WeakPolarHBondContact CA-O 3.46Å; A203-L213 HydrophobicContact CB-CD2 3.79Å; A203-I236 HydrophobicContact CB-CD1 3.56Å; A203-L353 HydrophobicContact CB-CD1 3.64Å; A203-L353 HydrophobicContact CB-CD2 3.6Å; A203-L353 HydrophobicContact CB-CG 4.27Å
204	V	96.6	Very high	93.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	119.3	-178.9	-170.4	0	0	0	0	110.1	L169 L187 V191 C193 L202 T206 V211 Y212 L214	L169-V204 HydrophobicContact CD1-CG2 4.29Å; L169-V204 HydrophobicContact CD2-CG2 3.92Å; L187-V204 HydrophobicContact CD1-CB 4.38Å; L187-V204 HydrophobicContact CD1-CG1 3.92Å; V191-V204 HydrophobicContact CB-CG1 4.29Å; V191-V204 HydrophobicContact CG1-CG1 3.38Å; V191-V204 HydrophobicContact CG2-CG1 4.07Å; C193-V204 CarbonylContact O-C 3.58Å; C193-V204 WeakPolarHBondContact O-CA 3.15Å; L202-V204 HydrophobicContact CD1-CG2 3.2Å; V204-T206 HydrophobicContact CG1-CG2 4.16Å; V204-V211 CarbonylContact O-C 3.57Å; V204-V211 VanDerWaalsContact O-CA 3.23Å; V204-V211 WeakPolarHBondContact O-CA 3.16Å; V204-Y212 PolarHBondContact N-O 3.46Å; V204-Y212 PolarHBondContact O-N 3.26Å; V204-L214 HydrophobicContact CG2-CD1 3.78Å; V204-L214 HydrophobicContact CG2-CG 4.45Å
205	G	97.3	Very high	93.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132.4	170.9	0	0	0	0	0	111.8	L192 C193	L192-G205 PolarHBondContact N-O 2.82Å; C193-G205 PolarHBondContact N-O 3.35Å; C193-G205 PolarHBondContact O-N 2.85Å
206	T	98	Very high	93.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	163.4	-172	48.1	0	0	0	0	113.1	L187 T189 P190 V191 V204 D208 R209 N210 Y212 V233	L187-T206 HydrophobicContact CD1-CG2 4.04Å; T189-T206 HydrophobicContact CG2-CG2 3.83Å; P190-T206 WeakPolarHBondContact O-CA 3.36Å; V191-T206 HydrophobicContact CG2-CG2 4.34Å; V204-T206 HydrophobicContact CG1-CG2 4.16Å; T206-D208 VanDerWaalsContact C-N 3.3Å; T206-D208 WeakPolarHBondContact CB-OD1 3.17Å; T206-D208 PolarHBondContact O-N 3.4Å; T206-D208 PolarHBondContact OG1-OD1 3.09Å; T206-R209 PolarHBondContact O-N 3.03Å; T206-N210 PolarHBondContact N-O 2.86Å; T206-N210 VanDerWaalsContact N-O 3.12Å; T206-N210 PolarHBondContact OG1-O 2.96Å; T206-Y212 HydrophobicContact CG2-CD2 3.8Å; T206-Y212 HydrophobicContact CG2-CE2 3.78Å; T206-Y212 WeakPolarHBondContact OG1-CE2 3.42Å; T206-V233 PolarHBondContact O-N 3.35Å
207	H	98.1	Very high	93	Very high	98 Å²	98	36.2 Å²	36.2	45%	0.454	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-31.6	177.4	-178.7	-90.1	0	0	0	113	P190 L192 R209 A232	P190-H207 HydrophobicContact CB-CB 3.87Å; P190-H207 HydrophobicContact CG-CB 4.14Å; P190-H207 PolarHBondContact O-N 2.82Å; L192-H207 HydrophobicContact CD1-CB 3.99Å; L192-H207 HydrophobicContact CG-CB 4.34Å; H207-R209 PolarHBondContact O-N 3.01Å; H207-A232 WeakPolarHBondContact O-CA 3.32Å; H207-A232 WeakPolarHBondContact O-CB 3.49Å
208	D	96.2	Very high	92.5	Very high	37 Å²	37	37.1 Å²	37.1	20%	0.198	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	1.4	179	74.8	-14	0	0	0	114.8	T189 T206 N210 Y212	T189-D208 HydrophobicContact CG2-CB 3.98Å; T189-D208 WeakPolarHBondContact OG1-CB 3.32Å; T189-D208 PolarHBondContact OG1-N 3.15Å; T189-D208 VanDerWaalsContact OG1-N 3.13Å; T206-D208 VanDerWaalsContact C-N 3.3Å; T206-D208 WeakPolarHBondContact CB-OD1 3.17Å; T206-D208 PolarHBondContact O-N 3.4Å; T206-D208 PolarHBondContact OG1-OD1 3.09Å; D208-N210 VanDerWaalsContact CG-ND2 3.28Å; D208-N210 WeakPolarHBondContact OD1-CB 3.25Å; D208-N210 PolarHBondContact OD1-N 3.12Å; D208-N210 PolarHBondContact OD1-ND2 3.49Å; D208-N210 PolarHBondContact OD2-ND2 2.97Å; D208-Y212 PolarHBondContact OD2-OH 3.37Å
209	R	95.5	Very high	91.6	Very high	120 Å²	120	40.8 Å²	40.8	45%	0.453	19%	0.194	S	C	.	.	S	Bend	trans	88.8	-4.8	-178.5	88.3	-144	165.3	-104.8	6.6	116.6	T206 H207 C228 H229 K231	T206-R209 PolarHBondContact O-N 3.03Å; H207-R209 PolarHBondContact O-N 3.01Å; R209-C228 VanDerWaalsContact CG-SG 3.51Å; R209-H229 VanDerWaalsContact CG-O 3.27Å; R209-H229 WeakPolarHBondContact CG-O 3.05Å; R209-H229 PolarHBondContact O-N 2.83Å; R209-K231 WeakPolarHBondContact CA-O 2.92Å; R209-K231 WeakPolarHBondContact CB-O 3.32Å
210	N	94.7	Very high	90.4	Very high	12 Å²	12	45.4 Å²	45.4	6%	0.064	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	158.4	-175.6	-65.5	-46.5	0	0	0	112	T206 D208 Y212	T206-N210 PolarHBondContact N-O 2.86Å; T206-N210 VanDerWaalsContact N-O 3.12Å; T206-N210 PolarHBondContact OG1-O 2.96Å; D208-N210 VanDerWaalsContact CG-ND2 3.28Å; D208-N210 WeakPolarHBondContact OD1-CB 3.25Å; D208-N210 PolarHBondContact OD1-N 3.12Å; D208-N210 PolarHBondContact OD1-ND2 3.49Å; D208-N210 PolarHBondContact OD2-ND2 2.97Å; N210-Y212 HydrophobicContact CB-CD2 4.25Å; N210-Y212 HydrophobicContact CB-CE2 3.63Å; N210-Y212 PolarHBondContact ND2-OH 2.84Å
211	V	95.4	Very high	89	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	116.2	164.2	-176.2	0	0	0	0	107.6	A203 V204 M227 V233 I236 L353 T355	A203-V211 HydrophobicContact CB-CG1 4.38Å; V204-V211 CarbonylContact O-C 3.57Å; V204-V211 VanDerWaalsContact O-CA 3.23Å; V204-V211 WeakPolarHBondContact O-CA 3.16Å; V211-M227 HydrophobicContact CB-CB 3.86Å; V211-M227 HydrophobicContact CG1-SD 4.39Å; V211-M227 PolarHBondContact N-O 3.31Å; V211-V233 HydrophobicContact CG2-CB 4.38Å; V211-V233 HydrophobicContact CG2-CG1 4.04Å; V211-V233 HydrophobicContact CG2-CG2 3.77Å; V211-I236 HydrophobicContact CG1-CD1 3.86Å; V211-L353 HydrophobicContact CG1-CD2 3.99Å; V211-T355 HydrophobicContact CG1-CG2 4.26Å; V211-T355 HydrophobicContact CG2-CG2 3.82Å
212	Y	93.5	Very high	87.3	Confident	20 Å²	20	52.9 Å²	52.9	8%	0.078	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	136	-178.9	-64.6	-89.3	0	0	0	109.9	L187 T189 A203 V204 T206 D208 N210 R226	L187-Y212 HydrophobicContact CD1-CD2 4.13Å; L187-Y212 HydrophobicContact CD1-CG 4.49Å; L187-Y212 HydrophobicContact CD2-CD1 4.16Å; L187-Y212 HydrophobicContact CD2-CD2 4.34Å; L187-Y212 HydrophobicContact CD2-CE1 4.48Å; L187-Y212 HydrophobicContact CD2-CG 4.1Å; T189-Y212 HydrophobicContact CG2-CE2 4.45Å; A203-Y212 CarbonylContact C-O 3.1Å; A203-Y212 VanDerWaalsContact CA-O 3.29Å; A203-Y212 WeakPolarHBondContact CA-O 3.46Å; V204-Y212 PolarHBondContact N-O 3.46Å; V204-Y212 PolarHBondContact O-N 3.26Å; T206-Y212 HydrophobicContact CG2-CD2 3.8Å; T206-Y212 HydrophobicContact CG2-CE2 3.78Å; T206-Y212 WeakPolarHBondContact OG1-CE2 3.42Å; D208-Y212 PolarHBondContact OD2-OH 3.37Å; N210-Y212 HydrophobicContact CB-CD2 4.25Å; N210-Y212 HydrophobicContact CB-CE2 3.63Å; N210-Y212 PolarHBondContact ND2-OH 2.84Å; Y212-R226 PolarHBondContact OH-NH1 2.79Å
213	L	92.3	Very high	85.4	Confident	51 Å²	51	56.1 Å²	56.1	27%	0.267	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.9	167.1	-63.6	-174.4	0	0	0	108.1	L197 A203 M227 L353 V367 V370	L197-L213 HydrophobicContact CD1-CD2 3.54Å; A203-L213 HydrophobicContact CB-CD2 3.79Å; L213-M227 HydrophobicContact CD1-CE 4.06Å; L213-L353 HydrophobicContact CD2-CD2 4.36Å; L213-V367 HydrophobicContact CD1-CB 4Å; L213-V367 HydrophobicContact CD1-CG1 4.1Å; L213-V367 HydrophobicContact CD2-CG1 4.39Å; L213-V370 HydrophobicContact CD1-CG1 4.18Å
214	L	92.2	Very high	83.3	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.7	-176.4	-53	175.8	0	0	0	108.5	L169 Y185 L187 T201 L202 V204	L169-L214 HydrophobicContact CD2-CD1 3.82Å; Y185-L214 HydrophobicContact CD1-CD1 4.1Å; Y185-L214 HydrophobicContact CD1-CD2 4.09Å; Y185-L214 HydrophobicContact CD1-CG 4.49Å; Y185-L214 HydrophobicContact CD2-CD1 4.18Å; Y185-L214 HydrophobicContact CE1-CB 4.37Å; Y185-L214 HydrophobicContact CE1-CD2 4.47Å; Y185-L214 HydrophobicContact CG-CD1 3.83Å; L187-L214 HydrophobicContact CD2-CD1 4.4Å; T201-L214 CarbonylContact C-O 3.51Å; T201-L214 WeakPolarHBondContact CA-O 3.48Å; L202-L214 HydrophobicContact CD1-CB 4.46Å; L202-L214 HydrophobicContact CD1-CD1 4.38Å; L202-L214 HydrophobicContact CG-CB 4.19Å; L202-L214 PolarHBondContact N-O 3.43Å; L202-L214 PolarHBondContact O-N 3.39Å; V204-L214 HydrophobicContact CG2-CD1 3.78Å; V204-L214 HydrophobicContact CG2-CG 4.45Å
215	D	90.5	Very high	81.4	Confident	57 Å²	57	65.4 Å²	65.4	31%	0.305	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.9	171.1	178.1	-13.2	0	0	0	107.8	Y185 S200 R217 S218	Y185-D215 PolarHBondContact OH-O 3.02Å; S200-D215 CarbonylContact O-C 3.56Å; S200-D215 WeakPolarHBondContact O-CA 3.47Å; D215-R217 PolarHBondContact O-N 3.2Å; D215-R217 VanDerWaalsContact OD1-CB 3.24Å; D215-R217 WeakPolarHBondContact OD1-CB 3.5Å; D215-R217 WeakPolarHBondContact OD1-CG 3.43Å; D215-R217 PolarHBondContact OD1-N 3.36Å; D215-S218 CarbonylContact O-C 3.5Å; D215-S218 PolarHBondContact O-N 3.45Å
216	I	89.7	Confident	80.4	Confident	21 Å²	21	69.9 Å²	69.9	11%	0.108	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-17.7	-178.7	68.2	-173.4	0	0	0	113.7	V159 V171 Y185 F196 S199 S200 L202	V159-I216 HydrophobicContact CG1-CD1 4.17Å; V159-I216 HydrophobicContact CG2-CD1 4.29Å; V171-I216 HydrophobicContact CG2-CG2 4.5Å; Y185-I216 VanDerWaalsContact OH-CA 3.31Å; Y185-I216 WeakPolarHBondContact OH-CA 3.29Å; F196-I216 HydrophobicContact CE1-CG2 4.42Å; S199-I216 WeakPolarHBondContact O-CD1 3.35Å; S200-I216 WeakPolarHBondContact O-CG1 3.25Å; S200-I216 PolarHBondContact O-N 2.63Å; L202-I216 HydrophobicContact CD2-CG2 3.44Å; L202-I216 VanDerWaalsContact CD2-CG2 3.44Å
217	R	87.7	Confident	80.1	Confident	169 Å²	169	70 Å²	70	64%	0.638	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-18.8	176.4	-53.3	175.2	-176.8	146.4	10.4	111.9	S200 D215	S200-R217 PolarHBondContact OG-NH1 2.89Å; S200-R217 PolarHBondContact OG-NH2 2.69Å; S200-R217 VanDerWaalsContact OG-NH2 3.13Å; D215-R217 PolarHBondContact O-N 3.2Å; D215-R217 VanDerWaalsContact OD1-CB 3.24Å; D215-R217 WeakPolarHBondContact OD1-CB 3.5Å; D215-R217 WeakPolarHBondContact OD1-CG 3.43Å; D215-R217 PolarHBondContact OD1-N 3.36Å
218	S	81.3	Confident	79.9	Confident	43 Å²	43	67.9 Å²	67.9	30%	0.301	35%	0.347	S	S	.	.			trans	-119.7	128.9	-178.7	-178.6	0	0	0	0	111.4	Y185 D215 E220	Y185-S218 WeakPolarHBondContact CE1-O 3.35Å; Y185-S218 PolarHBondContact OH-O 3.4Å; D215-S218 CarbonylContact O-C 3.5Å; D215-S218 PolarHBondContact O-N 3.45Å; S218-E220 VanDerWaalsContact C-N 3.27Å; S218-E220 PolarHBondContact O-N 3.39Å; S218-E220 PolarHBondContact OG-N 3.2Å
219	F	67.7	Low	79.9	Confident	135 Å²	135	66.6 Å²	66.6	59%	0.592	34%	0.339	S	S	*	.			trans	-89.9	6.2	178.6	-52.7	-65.4	0	0	0	112.9
220	E	63.7	Low	79.9	Confident	143 Å²	143	69.1 Å²	69.1	67%	0.668	35%	0.354	S	S	*	.			trans	-84.1	120.5	177.8	-65.4	-169	168.1	0	0	111.3	S218 N222	S218-E220 VanDerWaalsContact C-N 3.27Å; S218-E220 PolarHBondContact O-N 3.39Å; S218-E220 PolarHBondContact OG-N 3.2Å; E220-N222 PolarHBondContact O-N 3.27Å
221	Q	60.9	Low	80.1	Confident	78 Å²	78	74.3 Å²	74.3	36%	0.364	38%	0.376	S	S	.	.			trans	-79.4	103.3	169.8	-66	-179.1	13.4	0	0	109	Q186 S223	Q186-Q221 PolarHBondContact O-NE2 3.45Å; Q221-S223 PolarHBondContact O-N 3.24Å
222	N	55.7	Low	80.2	Confident	120 Å²	120	74.7 Å²	74.7	64%	0.642	38%	0.379	S	S	*	.			trans	-62.9	97.2	174.2	-76.9	-38	0	0	0	110.1	E220 S224	E220-N222 PolarHBondContact O-N 3.27Å; N222-S224 VanDerWaalsContact C-N 3.3Å; N222-S224 PolarHBondContact O-N 2.8Å
223	S	53.1	Low	80.5	Confident	67 Å²	67	73.8 Å²	73.8	47%	0.469	38%	0.376	S	S	.	.			trans	-75.7	-16.6	-178.2	-93.4	0	0	0	0	114.2	Q221 S225 R226	Q221-S223 PolarHBondContact O-N 3.24Å; S223-S225 PolarHBondContact O-N 2.86Å; S223-R226 PolarHBondContact O-NE 3.02Å; S223-R226 PolarHBondContact OG-NH2 2.91Å
224	S	50	Low	80.8	Confident	118 Å²	118	73.5 Å²	73.5	83%	0.825	37%	0.374	S	S	*	.	S	Bend	trans	-75.7	-29	-156.9	-39.8	0	0	0	0	114.8	N222	N222-S224 VanDerWaalsContact C-N 3.3Å; N222-S224 PolarHBondContact O-N 2.8Å
225	S	56.2	Low	81.1	Confident	77 Å²	77	73.6 Å²	73.6	54%	0.538	38%	0.375	S	S	.	.	S	Bend	trans	-144.2	113.3	-177.5	63.4	0	0	0	0	109.6	S223 V370	S223-S225 PolarHBondContact O-N 2.86Å; S225-V370 WeakPolarHBondContact O-CG2 3.39Å; S225-V370 WeakPolarHBondContact OG-CG2 3.02Å
226	R	76.7	Confident	81.4	Confident	94 Å²	94	71.6 Å²	71.6	36%	0.355	36%	0.364	S	S	.	.			trans	-121	126.3	-171.1	-60.5	-175.6	-172.8	-161.1	-1.1	110.8	Y212 S223 C228	Y212-R226 PolarHBondContact OH-NH1 2.79Å; S223-R226 PolarHBondContact O-NE 3.02Å; S223-R226 PolarHBondContact OG-NH2 2.91Å; R226-C228 PolarHBondContact O-N 2.85Å
227	M	91.6	Very high	81.7	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.01	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	123.8	166.1	-64.5	-178	-176.3	0	0	108.2	V211 L213 L353 W365 V367 V370	V211-M227 HydrophobicContact CB-CB 3.86Å; V211-M227 HydrophobicContact CG1-SD 4.39Å; V211-M227 PolarHBondContact N-O 3.31Å; L213-M227 HydrophobicContact CD1-CE 4.06Å; M227-L353 HydrophobicContact CE-CD2 4.36Å; M227-L353 HydrophobicContact SD-CD2 3.79Å; M227-W365 HydrophobicContact CB-CD2 4.11Å; M227-W365 HydrophobicContact CB-CE3 3.85Å; M227-W365 HydrophobicContact CB-CH2 4.02Å; M227-W365 HydrophobicContact CB-CZ2 4.27Å; M227-W365 HydrophobicContact CB-CZ3 3.8Å; M227-W365 HydrophobicContact CE-CB 3.65Å; M227-W365 HydrophobicContact CE-CG 4.2Å; M227-W365 HydrophobicContact CG-CD2 3.9Å; M227-W365 HydrophobicContact CG-CE3 3.54Å; M227-W365 HydrophobicContact CG-CG 4.43Å; M227-W365 HydrophobicContact CG-CZ3 3.92Å; M227-W365 HydrophobicContact SD-CB 3.72Å; M227-W365 HydrophobicContact SD-CD2 3.68Å; M227-W365 HydrophobicContact SD-CE3 3.91Å; M227-W365 HydrophobicContact SD-CG 3.6Å; M227-W365 VanDerWaalsContact SD-CG 3.6Å; M227-V367 HydrophobicContact CE-CB 4.27Å; M227-V367 HydrophobicContact CE-CG1 3.84Å; M227-V370 HydrophobicContact CE-CB 3.99Å; M227-V370 HydrophobicContact CE-CG1 3.41Å; M227-V370 VanDerWaalsContact CE-CG1 3.41Å; M227-V370 HydrophobicContact CG-CB 3.67Å; M227-V370 HydrophobicContact CG-CG1 4.1Å
228	C	92.8	Very high	81.9	Confident	54 Å²	54	64.2 Å²	64.2	37%	0.365	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	129	-169.2	-173.2	0	0	0	0	111.3	R209 R226	R209-C228 VanDerWaalsContact CG-SG 3.51Å; R226-C228 PolarHBondContact O-N 2.85Å
229	H	96.2	Very high	82.2	Confident	10 Å²	10	63.6 Å²	63.6	5%	0.046	33%	0.331	C	S	.	.			trans	-91.6	178.5	167.4	-83.2	-90.9	0	0	0	111.3	R209 K231 V233 T355 S357 D359 W365	R209-H229 VanDerWaalsContact CG-O 3.27Å; R209-H229 WeakPolarHBondContact CG-O 3.05Å; R209-H229 PolarHBondContact O-N 2.83Å; H229-K231 WeakPolarHBondContact CB-O 3.45Å; H229-V233 HydrophobicContact CB-CG2 4.27Å; H229-T355 PolarHBondContact NE2-OG1 3.47Å; H229-S357 VanDerWaalsContact CG-CB 3.49Å; H229-S357 WeakPolarHBondContact ND1-CB 3.37Å; H229-D359 WeakPolarHBondContact CB-OD2 3.3Å; H229-D359 IonicContact CG-OD2 2.91Å; H229-D359 IonicContact ND1-OD1 3.18Å; H229-D359 IonicContact ND1-OD2 3.23Å; H229-D359 PolarHBondContact ND1-OD2 2.64Å; H229-W365 AromaticContact NE2-CZ2 3.78Å
230	K	96.5	Very high	82.4	Confident	173 Å²	173	58.6 Å²	58.6	75%	0.752	31%	0.309	S	S	*	.	S	Bend	trans	-85.5	-17.1	171.6	-68.1	-175.6	177.2	-177.2	0	112.9	D359	K230-D359 HydrophobicContact CB-CB 3.9Å; K230-D359 PolarHBondContact N-OD2 2.72Å
231	K	98.3	Very high	82.3	Confident	122 Å²	122	55.5 Å²	55.5	53%	0.53	29%	0.294	S	S	.	.	S	Bend	trans	-147.4	177.6	178.4	-58.3	-173.5	177	179.7	0	111.1	R209 H229 S357 S358 D359	R209-K231 WeakPolarHBondContact CA-O 2.92Å; R209-K231 WeakPolarHBondContact CB-O 3.32Å; H229-K231 WeakPolarHBondContact CB-O 3.45Å; K231-S357 PolarHBondContact O-OG 3.27Å; K231-S358 WeakPolarHBondContact CB-OG 3.5Å; K231-D359 HydrophobicContact CB-CB 3.95Å; K231-D359 HydrophobicContact CD-CB 4.36Å; K231-D359 HydrophobicContact CG-CB 3.96Å
232	A	98.6	Very high	81.8	Confident	11 Å²	11	54.6 Å²	54.6	9%	0.091	29%	0.292	C	S	.	.			trans	-45.1	135.4	-179.5	0	0	0	0	0	113.8	L192 H207 L234 S357 S358	L192-A232 HydrophobicContact CD1-CB 3.98Å; H207-A232 WeakPolarHBondContact O-CA 3.32Å; H207-A232 WeakPolarHBondContact O-CB 3.49Å; A232-L234 HydrophobicContact CB-CD2 4.46Å; A232-S357 WeakPolarHBondContact O-CA 3.32Å; A232-S357 WeakPolarHBondContact O-CB 3.32Å; A232-S357 PolarHBondContact O-OG 3.28Å; A232-S358 PolarHBondContact N-OG 2.84Å; A232-S358 PolarHBondContact O-N 3.14Å; A232-S358 PolarHBondContact O-OG 3.01Å; A232-S358 VanDerWaalsContact O-OG 3.1Å
233	V	98.6	Very high	81.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	112.6	178.5	-174.3	0	0	0	0	108.7	L192 T206 V211 H229 T355 G356	L192-V233 VanDerWaalsContact CB-O 3.26Å; L192-V233 WeakPolarHBondContact CB-O 3.48Å; L192-V233 WeakPolarHBondContact CD1-O 3.42Å; T206-V233 PolarHBondContact O-N 3.35Å; V211-V233 HydrophobicContact CG2-CB 4.38Å; V211-V233 HydrophobicContact CG2-CG1 4.04Å; V211-V233 HydrophobicContact CG2-CG2 3.77Å; H229-V233 HydrophobicContact CB-CG2 4.27Å; V233-T355 HydrophobicContact CG1-CG2 4.42Å; V233-G356 CarbonylContact C-O 3.51Å
234	L	98.7	Very high	81.1	Confident	45 Å²	45	49.2 Å²	49.2	24%	0.236	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-29.4	-167.8	-59.4	179.8	0	0	0	113.5	L192 A232 G356 Y382	L192-L234 HydrophobicContact CD1-CD2 4.35Å; A232-L234 HydrophobicContact CB-CD2 4.46Å; L234-G356 PolarHBondContact N-O 3.04Å; L234-Y382 HydrophobicContact CD1-CD2 3.36Å; L234-Y382 HydrophobicContact CD1-CE2 3.95Å; L234-Y382 HydrophobicContact CD1-CG 4.02Å
235	C	98.5	Very high	80.7	Confident	7 Å²	7	46.6 Å²	46.6	5%	0.047	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	151.7	-176.7	47.4	0	0	0	0	110	C193 T355 G356 P383 L386	C193-C235 VanDerWaalsContact SG-C 3.51Å; C235-T355 WeakPolarHBondContact O-CA 3.4Å; C235-G356 PolarHBondContact N-O 3.12Å; C235-G356 PolarHBondContact O-N 3.07Å; C235-P383 PolarHBondContact SG-O 2.83Å; C235-L386 HydrophobicContact CB-CD1 4.31Å; C235-L386 HydrophobicContact CB-CG 4.08Å
236	I	97.8	Very high	79.9	Confident	14 Å²	14	44.6 Å²	44.6	7%	0.072	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	145.7	-178.6	-162.2	167.3	0	0	0	108.1	C193 S194 A203 V211 L353 I354 T355	C193-I236 HydrophobicContact CB-CB 4.25Å; C193-I236 HydrophobicContact CB-CG2 3.68Å; S194-I236 VanDerWaalsContact O-CG2 3.31Å; S194-I236 WeakPolarHBondContact O-CG2 3.19Å; A203-I236 HydrophobicContact CB-CD1 3.56Å; V211-I236 HydrophobicContact CG1-CD1 3.86Å; I236-L353 HydrophobicContact CD1-CD1 3.77Å; I236-L353 HydrophobicContact CD1-CD2 4.14Å; I236-L353 HydrophobicContact CD1-CG 4.23Å; I236-L353 HydrophobicContact CG1-CD1 3.64Å; I236-L353 HydrophobicContact CG1-CG 4.21Å; I236-I354 CarbonylContact C-O 3.59Å; I236-I354 VanDerWaalsContact CA-O 3.3Å; I236-I354 WeakPolarHBondContact CA-O 3.25Å; I236-I354 WeakPolarHBondContact CG1-O 3.43Å; I236-T355 HydrophobicContact CD1-CG2 3.91Å; I236-T355 HydrophobicContact CG1-CG2 3.77Å
237	D	95.2	Very high	78.2	Confident	34 Å²	34	42 Å²	42	18%	0.182	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	139.4	167.9	-154.2	-4.3	0	0	0	109.4	I354 L386 S387 L388	D237-I354 PolarHBondContact N-O 2.88Å; D237-I354 PolarHBondContact O-N 3.12Å; D237-L386 HydrophobicContact CB-CB 4.26Å; D237-S387 WeakPolarHBondContact OD2-CA 3.28Å; D237-L388 HydrophobicContact CB-CD1 4.08Å; D237-L388 HydrophobicContact CB-CG 4.22Å; D237-L388 WeakPolarHBondContact OD2-CB 3.49Å; D237-L388 PolarHBondContact OD2-N 3.2Å
238	A	92.9	Very high	75.9	Confident	2 Å²	2	43.5 Å²	43.5	2%	0.017	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.1	-173.8	0	0	0	0	0	109.5	S195 F196 L197 Y240 L353 L388	S195-A238 WeakPolarHBondContact OG-CB 3.47Å; S195-A238 PolarHBondContact OG-N 3.42Å; F196-A238 WeakPolarHBondContact O-CB 3.42Å; L197-A238 HydrophobicContact CD2-CB 3.95Å; L197-A238 HydrophobicContact CG-CB 4.41Å; A238-Y240 PolarHBondContact O-N 2.78Å; A238-L353 HydrophobicContact CB-CD1 3.88Å; A238-L388 VanDerWaalsContact O-CD1 3.27Å; A238-L388 WeakPolarHBondContact O-CD1 3.41Å
239	I	87.2	Confident	73.4	Confident	30 Å²	30	41.5 Å²	41.5	15%	0.154	22%	0.218	C	C	.	.			trans	-78.6	74.3	174.6	-50.9	-172.4	0	0	0	107.7	L244 V351 H352 L388 K391 I408	I239-L244 HydrophobicContact CG2-CD1 3.82Å; I239-V351 VanDerWaalsContact CD1-O 3.24Å; I239-V351 WeakPolarHBondContact CD1-O 3.26Å; I239-H352 PolarHBondContact N-O 3.13Å; I239-L388 HydrophobicContact CG1-CD1 3.92Å; I239-K391 HydrophobicContact CG2-CB 3.78Å; I239-I408 HydrophobicContact CD1-CD1 3.86Å
240	Y	72.5	Confident	70.7	Confident	30 Å²	30	42.9 Å²	42.9	12%	0.118	22%	0.222	C	C	.	.			trans	-88.5	110.9	179.9	-175.9	-142.9	0	0	0	110.5	T156 F196 L197 D198 S199 A238 N242 G243 L244	T156-Y240 PolarHBondContact OG1-OH 2.89Å; F196-Y240 WeakPolarHBondContact O-CB 3.24Å; L197-Y240 VanDerWaalsContact O-CD2 3.24Å; L197-Y240 WeakPolarHBondContact O-CD2 3.4Å; D198-Y240 HydrophobicContact CB-CE2 4.4Å; S199-Y240 PolarHBondContact N-OH 2.71Å; A238-Y240 PolarHBondContact O-N 2.78Å; Y240-N242 VanDerWaalsContact C-N 3.29Å; Y240-N242 HydrophobicContact CD1-CB 4.44Å; Y240-N242 HydrophobicContact CE1-CB 3.89Å; Y240-N242 HydrophobicContact CE2-CB 3.94Å; Y240-N242 PolarHBondContact O-N 3.1Å; Y240-N242 PolarHBondContact OH-ND2 2.97Å; Y240-G243 PolarHBondContact O-N 2.84Å; Y240-L244 WeakPolarHBondContact O-CG 3.43Å; Y240-L244 PolarHBondContact O-N 2.85Å; Y240-L244 VanDerWaalsContact O-N 3.07Å
241	E	60.1	Low	68.2	Low	77 Å²	77	39 Å²	39	36%	0.36	21%	0.21	S	C	.	.	H	α-helix	trans	-58.5	-36.3	-175	-80	-73.8	155.5	0	0	113.1	R245	E241-R245 WeakPolarHBondContact O-CD 3.15Å; E241-R245 WeakPolarHBondContact O-CG 3.33Å; E241-R245 PolarHBondContact O-NE 2.91Å; E241-R245 IonicContact OE2-CZ 2.61Å; E241-R245 IonicContact OE2-NE 2.73Å; E241-R245 PolarHBondContact OE2-NE 2.94Å; E241-R245 IonicContact OE2-NH2 3.61Å; E241-R245 PolarHBondContact OE2-NH2 3.21Å
242	N	51.1	Low	65.5	Low	60 Å²	60	33.4 Å²	33.4	32%	0.321	19%	0.186	S	C	.	.	H	α-helix	trans	-74.4	-40.5	179.4	-67.2	-15.2	0	0	0	112.2	Y240	Y240-N242 VanDerWaalsContact C-N 3.29Å; Y240-N242 HydrophobicContact CD1-CB 4.44Å; Y240-N242 HydrophobicContact CE1-CB 3.89Å; Y240-N242 HydrophobicContact CE2-CB 3.94Å; Y240-N242 PolarHBondContact O-N 3.1Å; Y240-N242 PolarHBondContact OH-ND2 2.97Å
243	G	44	Very low	62.7	Low	31 Å²	31	33.8 Å²	33.8	32%	0.32	19%	0.187	S	C	.	.	H	α-helix	trans	-74.3	-38.7	-175.4	0	0	0	0	0	114.1	Y240 R245 S246	Y240-G243 PolarHBondContact O-N 2.84Å; G243-R245 PolarHBondContact O-N 3.04Å; G243-S246 PolarHBondContact O-N 3.3Å
244	L	49.2	Very low	60	Low	43 Å²	43	35.5 Å²	35.5	23%	0.225	20%	0.199	C	C	.	.	H	α-helix	trans	-63.9	-22.8	179.2	-71.2	169.8	0	0	0	112.8	I239 Y240 L388 K391	I239-L244 HydrophobicContact CG2-CD1 3.82Å; Y240-L244 WeakPolarHBondContact O-CG 3.43Å; Y240-L244 PolarHBondContact O-N 2.85Å; Y240-L244 VanDerWaalsContact O-N 3.07Å; L244-L388 HydrophobicContact CD2-CB 3.92Å; L244-K391 HydrophobicContact CD1-CB 4.36Å
245	R	41.5	Very low	57.2	Low	62 Å²	62	35.4 Å²	35.4	23%	0.234	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-80.4	-18.6	-173.8	-71.2	172.4	-175.1	-92.5	2.7	114.2	E241 G243 I270	E241-R245 WeakPolarHBondContact O-CD 3.15Å; E241-R245 WeakPolarHBondContact O-CG 3.33Å; E241-R245 PolarHBondContact O-NE 2.91Å; E241-R245 IonicContact OE2-CZ 2.61Å; E241-R245 IonicContact OE2-NE 2.73Å; E241-R245 PolarHBondContact OE2-NE 2.94Å; E241-R245 IonicContact OE2-NH2 3.61Å; E241-R245 PolarHBondContact OE2-NH2 3.21Å; G243-R245 PolarHBondContact O-N 3.04Å; R245-I270 WeakPolarHBondContact CD-O 3.21Å
246	S	39.3	Very low	54.5	Low	36 Å²	36	35.7 Å²	35.7	25%	0.252	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-93	-4.4	-174.9	-169	0	0	0	0	115.2	L107 G243 V248	L107-S246 WeakPolarHBondContact CD1-OG 3.48Å; G243-S246 PolarHBondContact O-N 3.3Å; S246-V248 PolarHBondContact O-N 3.39Å; S246-V248 VanDerWaalsContact O-N 3.14Å
247	A	42	Very low	51.7	Low	40 Å²	40	37.4 Å²	37.4	33%	0.331	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-67.6	-4.4	167.7	0	0	0	0	0	112.1
248	V	42.4	Very low	49	Very low	33 Å²	33	42.3 Å²	42.3	20%	0.2	24%	0.235	C	C	.	.	S	Bend	trans	-96.5	120.4	172.3	-167.1	0	0	0	0	109.2	S246 T253 L435	S246-V248 PolarHBondContact O-N 3.39Å; S246-V248 VanDerWaalsContact O-N 3.14Å; V248-T253 HydrophobicContact CG1-CG2 3.74Å; V248-L435 HydrophobicContact CG2-CD1 3.82Å
249	S	41.5	Very low	46.3	Very low	12 Å²	12	43.6 Å²	43.6	8%	0.084	24%	0.243	C	C	.	.			trans	-60.9	134.5	174.6	177.6	0	0	0	0	112	F71 E72 K75 N251 C252	F71-S249 WeakPolarHBondContact CE1-OG 3.48Å; E72-S249 WeakPolarHBondContact OE1-CB 3.44Å; E72-S249 PolarHBondContact OE1-N 3.21Å; K75-S249 PolarHBondContact NZ-OG 2.84Å; S249-N251 PolarHBondContact O-N 2.82Å; S249-N251 VanDerWaalsContact O-N 3.14Å; S249-C252 PolarHBondContact O-N 2.82Å
250	R	39.7	Very low	43.9	Very low	39 Å²	39	45.8 Å²	45.8	15%	0.147	25%	0.254	C	S	.	.	H	α-helix	trans	-51.8	-34.7	174.4	-94.2	-160.3	175.4	107.3	-12.3	114.3	C252 T253 S254 Y274 D275 Y276	R250-C252 PolarHBondContact O-N 2.84Å; R250-C252 VanDerWaalsContact O-N 3.12Å; R250-T253 PolarHBondContact O-N 3.2Å; R250-S254 PolarHBondContact O-N 3.11Å; R250-Y274 PolarHBondContact NH1-O 2.85Å; R250-Y274 PolarHBondContact NH2-O 3.07Å; R250-D275 IonicContact CZ-OD1 2.94Å; R250-D275 IonicContact NH2-OD1 3.53Å; R250-D275 PolarHBondContact NH2-OD1 3.31Å; R250-Y276 HydrophobicContact CG-CE2 4.48Å; R250-Y276 VanDerWaalsContact NH1-CE2 3.33Å
251	N	42.4	Very low	41.7	Very low	91 Å²	91	51.2 Å²	51.2	49%	0.487	29%	0.285	S	S	.	.	H	α-helix	trans	-59.8	-30.2	-172.9	-77.7	2.4	0	0	0	112.1	F71 S249 T255	F71-N251 HydrophobicContact CE2-CB 4.26Å; F71-N251 HydrophobicContact CZ-CB 3.84Å; S249-N251 PolarHBondContact O-N 2.82Å; S249-N251 VanDerWaalsContact O-N 3.14Å; N251-T255 PolarHBondContact O-OG1 2.86Å
252	C	42	Very low	40.2	Very low	5 Å²	5	51 Å²	51	3%	0.034	30%	0.303	C	S	.	.	H	α-helix	trans	-81.4	-47.2	171.6	-168.8	0	0	0	0	111.1	I25 F71 S249 R250 M256	I25-C252 HydrophobicContact CD1-CB 4.36Å; F71-C252 HydrophobicContact CB-CB 4.09Å; F71-C252 HydrophobicContact CD1-CB 4.05Å; F71-C252 HydrophobicContact CD2-CB 3.96Å; F71-C252 HydrophobicContact CE2-CB 4.49Å; F71-C252 HydrophobicContact CG-CB 3.74Å; S249-C252 PolarHBondContact O-N 2.82Å; R250-C252 PolarHBondContact O-N 2.84Å; R250-C252 VanDerWaalsContact O-N 3.12Å; C252-M256 WeakPolarHBondContact O-CB 3.33Å; C252-M256 VanDerWaalsContact O-CG 3.29Å; C252-M256 WeakPolarHBondContact O-CG 3.29Å; C252-M256 PolarHBondContact O-N 3.35Å
253	T	40.1	Very low	39.1	Very low	19 Å²	19	52 Å²	52	12%	0.117	32%	0.315	C	S	.	.	H	α-helix	trans	-74.1	-39.5	-171.5	54.3	0	0	0	0	114.3	V248 R250 K257	V248-T253 HydrophobicContact CG1-CG2 3.74Å; R250-T253 PolarHBondContact O-N 3.2Å; T253-K257 VanDerWaalsContact O-CA 3.29Å; T253-K257 WeakPolarHBondContact O-CA 3.46Å; T253-K257 WeakPolarHBondContact O-CB 3.23Å; T253-K257 WeakPolarHBondContact O-CG 3.47Å; T253-K257 PolarHBondContact O-N 3.08Å
254	S	42.2	Very low	38.2	Very low	36 Å²	36	54.8 Å²	54.8	25%	0.252	34%	0.344	S	S	.	.	H	α-helix	trans	-73.9	-43.4	-175	78.7	0	0	0	0	112	R250 N258	R250-S254 PolarHBondContact O-N 3.11Å; S254-N258 VanDerWaalsContact O-CB 3.26Å; S254-N258 WeakPolarHBondContact O-CB 3.34Å; S254-N258 PolarHBondContact O-N 3.07Å
255	T	40	Very low	37.2	Very low	43 Å²	43	55.8 Å²	55.8	26%	0.264	35%	0.35	S	S	.	.	H	α-helix	trans	-70.5	-44.3	178.2	51.8	0	0	0	0	111.2	I25 N251 C259	I25-T255 HydrophobicContact CG2-CG2 3.94Å; I25-T255 WeakPolarHBondContact CG2-OG1 3.36Å; N251-T255 PolarHBondContact O-OG1 2.86Å; T255-C259 WeakPolarHBondContact O-CB 3.48Å; T255-C259 PolarHBondContact O-N 3.01Å; T255-C259 PolarHBondContact O-SG 3.18Å
256	M	40.7	Very low	36.3	Very low	12 Å²	12	59.4 Å²	59.4	6%	0.059	37%	0.374	C	S	.	.	H	α-helix	trans	-72	-36.4	174.7	-63.3	-77	-87.5	0	0	110.7	A67 C252 C259 I260	A67-M256 HydrophobicContact CB-CE 4.25Å; C252-M256 WeakPolarHBondContact O-CB 3.33Å; C252-M256 VanDerWaalsContact O-CG 3.29Å; C252-M256 WeakPolarHBondContact O-CG 3.29Å; C252-M256 PolarHBondContact O-N 3.35Å; M256-C259 CarbonylContact O-C 3.36Å; M256-C259 WeakPolarHBondContact O-CA 3.25Å; M256-C259 VanDerWaalsContact O-CB 3.28Å; M256-C259 WeakPolarHBondContact O-CB 3.46Å; M256-C259 PolarHBondContact O-N 2.6Å; M256-C259 VanDerWaalsContact O-N 3.13Å; M256-I260 VanDerWaalsContact C-CD1 3.5Å; M256-I260 HydrophobicContact CB-CD1 3.75Å; M256-I260 HydrophobicContact CB-CG1 4.48Å; M256-I260 VanDerWaalsContact O-CB 3.28Å; M256-I260 WeakPolarHBondContact O-CB 3.42Å; M256-I260 WeakPolarHBondContact O-CD1 3.2Å; M256-I260 WeakPolarHBondContact O-CG1 2.98Å; M256-I260 PolarHBondContact O-N 2.83Å
257	K	40.2	Very low	35.7	Very low	50 Å²	50	61.3 Å²	61.3	22%	0.217	39%	0.386	C	S	.	.	H	α-helix	trans	-69.4	-43.5	177.5	-75.8	-179.7	173.4	-169.7	0	113.8	T253 C259 I260 N261 C271	T253-K257 VanDerWaalsContact O-CA 3.29Å; T253-K257 WeakPolarHBondContact O-CA 3.46Å; T253-K257 WeakPolarHBondContact O-CB 3.23Å; T253-K257 WeakPolarHBondContact O-CG 3.47Å; T253-K257 PolarHBondContact O-N 3.08Å; K257-C259 PolarHBondContact O-N 3.14Å; K257-C259 VanDerWaalsContact O-N 3.12Å; K257-I260 PolarHBondContact O-N 2.85Å; K257-N261 PolarHBondContact O-N 3.2Å; K257-C271 PolarHBondContact NZ-SG 3.23Å
258	N	37.7	Very low	34.7	Very low	138 Å²	138	64.8 Å²	64.8	74%	0.738	40%	0.399	S	S	*	.	H	α-helix	trans	-60.1	-23.6	171.6	-78.7	-16	0	0	0	111.2	S254	S254-N258 VanDerWaalsContact O-CB 3.26Å; S254-N258 WeakPolarHBondContact O-CB 3.34Å; S254-N258 PolarHBondContact O-N 3.07Å
259	C	37.6	Very low	33.9	Very low	29 Å²	29	68.9 Å²	68.9	20%	0.196	42%	0.416	C	S	.	.	H	α-helix	trans	-84.4	-35.8	167.7	-70.8	0	0	0	0	113.6	R39 T255 M256 K257 N261	R39-C259 PolarHBondContact NH1-O 3.33Å; R39-C259 VanDerWaalsContact NH2-C 3.31Å; R39-C259 VanDerWaalsContact NH2-CB 3.28Å; R39-C259 PolarHBondContact NH2-O 3.25Å; T255-C259 WeakPolarHBondContact O-CB 3.48Å; T255-C259 PolarHBondContact O-N 3.01Å; T255-C259 PolarHBondContact O-SG 3.18Å; M256-C259 CarbonylContact O-C 3.36Å; M256-C259 WeakPolarHBondContact O-CA 3.25Å; M256-C259 VanDerWaalsContact O-CB 3.28Å; M256-C259 WeakPolarHBondContact O-CB 3.46Å; M256-C259 PolarHBondContact O-N 2.6Å; M256-C259 VanDerWaalsContact O-N 3.13Å; K257-C259 PolarHBondContact O-N 3.14Å; K257-C259 VanDerWaalsContact O-N 3.12Å; C259-N261 PolarHBondContact O-N 3.43Å
260	I	35.2	Very low	33	Very low	76 Å²	76	74.2 Å²	74.2	39%	0.39	44%	0.442	S	S	.	.	H	α-helix	trans	-76.4	-16.4	-171.4	-71.1	155.2	0	0	0	113.2	M256 K257 G262	M256-I260 VanDerWaalsContact C-CD1 3.5Å; M256-I260 HydrophobicContact CB-CD1 3.75Å; M256-I260 HydrophobicContact CB-CG1 4.48Å; M256-I260 VanDerWaalsContact O-CB 3.28Å; M256-I260 WeakPolarHBondContact O-CB 3.42Å; M256-I260 WeakPolarHBondContact O-CD1 3.2Å; M256-I260 WeakPolarHBondContact O-CG1 2.98Å; M256-I260 PolarHBondContact O-N 2.83Å; K257-I260 PolarHBondContact O-N 2.85Å; I260-G262 PolarHBondContact O-N 3.07Å
261	N	27.8	Very low	32.3	Very low	143 Å²	143	74.6 Å²	74.6	77%	0.765	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	45.1	-179.7	-77.9	-7.2	0	0	0	115.7	K257 C259	K257-N261 PolarHBondContact O-N 3.2Å; C259-N261 PolarHBondContact O-N 3.43Å
262	G	27.5	Very low	31.5	Very low	72 Å²	72	73.5 Å²	73.5	74%	0.742	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.3	1.1	175.1	0	0	0	0	0	115.8	I260	I260-G262 PolarHBondContact O-N 3.07Å
263	S	28.9	Very low	30.8	Very low	82 Å²	82	78 Å²	78	57%	0.573	47%	0.468	S	S	*	.	S	Bend	trans	-123.1	116.5	176.2	62.7	0	0	0	0	111.3	D265	S263-D265 PolarHBondContact O-N 3.12Å
264	G	25	Very low	30.5	Very low	89 Å²	89	79.3 Å²	79.3	92%	0.918	47%	0.471	S	S	*	.			trans	-72.5	50.8	-174.7	0	0	0	0	0	115.7
265	D	26.7	Very low	29.9	Very low	64 Å²	64	83.2 Å²	83.2	34%	0.342	49%	0.489	S	S	.	.			trans	-103.5	121.3	168.8	-89.8	-21.5	0	0	0	110.2	S263 C267	S263-D265 PolarHBondContact O-N 3.12Å; D265-C267 PolarHBondContact O-N 3.45Å
266	N	23.3	Very low	30	Very low	139 Å²	139	85.2 Å²	85.2	74%	0.743	49%	0.492	S	S	*	.			trans	-64	57.6	177.5	-150.6	44.6	0	0	0	111.6	D268	N266-D268 VanDerWaalsContact C-N 3.34Å; N266-D268 PolarHBondContact O-N 3.13Å; N266-D268 PolarHBondContact OD1-OD1 2.69Å
267	C	26.3	Very low	30.2	Very low	76 Å²	76	91.8 Å²	91.8	51%	0.514	52%	0.522	S	S	.	.			trans	-77.9	92.9	158.6	-71.5	0	0	0	0	105.5	D265 Q269	D265-C267 PolarHBondContact O-N 3.45Å; C267-Q269 HydrophobicContact CB-CG 4.28Å; C267-Q269 PolarHBondContact O-N 3.1Å
268	D	22.5	Very low	30.5	Very low	113 Å²	113	90.1 Å²	90.1	60%	0.604	52%	0.517	S	S	*	.			trans	-66.1	51.9	172	-68.5	-34.8	0	0	0	111.3	N266 I270	N266-D268 VanDerWaalsContact C-N 3.34Å; N266-D268 PolarHBondContact O-N 3.13Å; N266-D268 PolarHBondContact OD1-OD1 2.69Å; D268-I270 PolarHBondContact O-N 3.08Å
269	Q	25.2	Very low	31.4	Very low	119 Å²	119	90.6 Å²	90.6	56%	0.556	52%	0.515	S	S	*	.			trans	-81.6	71.8	171	-66.8	-174.4	26.8	0	0	108.5	C267 C271	C267-Q269 HydrophobicContact CB-CG 4.28Å; C267-Q269 PolarHBondContact O-N 3.1Å; Q269-C271 PolarHBondContact O-N 3.14Å
270	I	23	Very low	32.4	Very low	123 Å²	123	90 Å²	90	63%	0.631	51%	0.509	S	S	*	.			trans	-60.8	106	170	-57.3	173.9	0	0	0	106.7	R245 D268	R245-I270 WeakPolarHBondContact CD-O 3.21Å; D268-I270 PolarHBondContact O-N 3.08Å
271	C	23.4	Very low	33.4	Very low	47 Å²	47	89.9 Å²	89.9	32%	0.318	52%	0.515	S	S	.	.			trans	-80.5	122.7	164.8	-115.1	0	0	0	0	106.1	K257 Q269 E273	K257-C271 PolarHBondContact NZ-SG 3.23Å; Q269-C271 PolarHBondContact O-N 3.14Å; C271-E273 PolarHBondContact O-N 2.7Å
272	V	26.7	Very low	34.8	Very low	68 Å²	68	85.4 Å²	85.4	41%	0.412	50%	0.496	S	S	.	.			trans	-84.8	109.7	158.6	-168.2	0	0	0	0	105.9	Y274	V272-Y274 HydrophobicContact CB-CE2 4.45Å; V272-Y274 HydrophobicContact CG1-CD2 4.5Å; V272-Y274 HydrophobicContact CG1-CE2 4.07Å
273	E	26.2	Very low	36.2	Very low	101 Å²	101	82 Å²	82	47%	0.472	46%	0.461	S	S	.	.			trans	-85.6	113.8	171.8	-81.4	-172.8	176.5	0	0	108.2	C271	C271-E273 PolarHBondContact O-N 2.7Å
274	Y	33.7	Very low	37.4	Very low	45 Å²	45	79.4 Å²	79.4	18%	0.176	44%	0.441	C	S	.	.			trans	-92.2	101.8	170.3	-72.5	-79.5	0	0	0	109	L107 K108 D157 R250 V272 Y276	L107-Y274 HydrophobicContact CD2-CD2 4.09Å; L107-Y274 HydrophobicContact CD2-CE2 3.51Å; L107-Y274 HydrophobicContact CG-CD2 4.14Å; L107-Y274 HydrophobicContact CG-CE2 3.98Å; K108-Y274 HydrophobicContact CB-CD1 3.93Å; K108-Y274 HydrophobicContact CB-CE1 3.97Å; K108-Y274 HydrophobicContact CD-CD1 4.17Å; K108-Y274 HydrophobicContact CD-CE1 4.02Å; K108-Y274 HydrophobicContact CG-CD1 3.69Å; K108-Y274 HydrophobicContact CG-CE1 3.95Å; D157-Y274 PolarHBondContact OD1-OH 2.86Å; R250-Y274 PolarHBondContact NH1-O 2.85Å; R250-Y274 PolarHBondContact NH2-O 3.07Å; V272-Y274 HydrophobicContact CB-CE2 4.45Å; V272-Y274 HydrophobicContact CG1-CD2 4.5Å; V272-Y274 HydrophobicContact CG1-CE2 4.07Å; Y274-Y276 PolarHBondContact O-N 2.62Å
275	D	30.5	Very low	38.7	Very low	118 Å²	118	78.7 Å²	78.7	63%	0.631	43%	0.427	S	S	*	.			trans	-49.9	128.8	176.4	-84.8	-25.7	0	0	0	110	R250 H277	R250-D275 IonicContact CZ-OD1 2.94Å; R250-D275 IonicContact NH2-OD1 3.53Å; R250-D275 PolarHBondContact NH2-OD1 3.31Å; D275-H277 CarbonylContact O-C 3.59Å; D275-H277 PolarHBondContact O-N 2.87Å
276	Y	41.5	Very low	39.5	Very low	85 Å²	85	77.9 Å²	77.9	33%	0.333	43%	0.426	S	S	.	.	S	Bend	trans	-65.2	2.6	-175.5	-79.4	-74.1	0	0	0	113.1	P110 R250 Y274 S278 N479	P110-Y276 HydrophobicContact CB-CE1 4.47Å; P110-Y276 HydrophobicContact CG-CD1 3.65Å; P110-Y276 HydrophobicContact CG-CE1 3.7Å; R250-Y276 HydrophobicContact CG-CE2 4.48Å; R250-Y276 VanDerWaalsContact NH1-CE2 3.33Å; Y274-Y276 PolarHBondContact O-N 2.62Å; Y276-S278 PolarHBondContact O-N 3.19Å; Y276-N479 WeakPolarHBondContact CE1-ND2 3.13Å; Y276-N479 PolarHBondContact OH-OD1 3.33Å
277	H	44.5	Very low	40.5	Very low	151 Å²	151	78 Å²	78	70%	0.699	42%	0.422	S	S	*	.			trans	-75.9	80.7	163.3	-61.4	-66.8	0	0	0	108.4	D275 E279	D275-H277 CarbonylContact O-C 3.59Å; D275-H277 PolarHBondContact O-N 2.87Å; H277-E279 PolarHBondContact O-N 2.98Å
278	S	47.6	Very low	41.1	Very low	15 Å²	15	83.2 Å²	83.2	11%	0.105	44%	0.439	C	S	.	.			trans	-48.8	113.6	162.7	171	0	0	0	0	107.9	H109 Y276 L280 S281	H109-S278 PolarHBondContact ND1-OG 2.96Å; Y276-S278 PolarHBondContact O-N 3.19Å; S278-L280 PolarHBondContact O-N 2.61Å; S278-L280 PolarHBondContact OG-N 3.29Å; S278-S281 PolarHBondContact O-N 3.3Å
279	E	55.6	Low	41.6	Very low	148 Å²	148	83.5 Å²	83.5	69%	0.692	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-15.7	173.1	-65.9	-176.2	163.4	0	0	111.5	N176 H277 S281	N176-E279 PolarHBondContact OD1-O 3.37Å; H277-E279 PolarHBondContact O-N 2.98Å; E279-S281 VanDerWaalsContact C-N 3.26Å; E279-S281 PolarHBondContact O-N 3.26Å
280	L	59.6	Low	42.3	Very low	15 Å²	15	84.2 Å²	84.2	8%	0.079	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	37.7	176.6	-48	-176.8	0	0	0	114	H109 L174 N176 S278 S282 V283	H109-L280 VanDerWaalsContact CE1-CD1 3.46Å; H109-L280 WeakPolarHBondContact CE1-CD1 3.48Å; H109-L280 VanDerWaalsContact CE1-CG 3.42Å; H109-L280 WeakPolarHBondContact CE1-CG 3.18Å; L174-L280 HydrophobicContact CB-CD1 4.37Å; L174-L280 HydrophobicContact CD2-CD1 3.99Å; L174-L280 HydrophobicContact CG-CD1 3.63Å; N176-L280 WeakPolarHBondContact OD1-CA 3.18Å; N176-L280 WeakPolarHBondContact OD1-CD2 3.38Å; S278-L280 PolarHBondContact O-N 2.61Å; S278-L280 PolarHBondContact OG-N 3.29Å; L280-S282 VanDerWaalsContact C-N 3.27Å; L280-S282 PolarHBondContact O-N 3.2Å; L280-V283 HydrophobicContact CB-CG1 4.47Å; L280-V283 WeakPolarHBondContact O-CG1 3.12Å; L280-V283 PolarHBondContact O-N 3.1Å
281	S	56.2	Low	42.6	Very low	74 Å²	74	81.4 Å²	81.4	52%	0.517	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-32.2	177.6	59	0	0	0	0	112.5	S278 E279 V283 T284 A285	S278-S281 PolarHBondContact O-N 3.3Å; E279-S281 VanDerWaalsContact C-N 3.26Å; E279-S281 PolarHBondContact O-N 3.26Å; S281-V283 PolarHBondContact O-N 3.14Å; S281-T284 WeakPolarHBondContact O-CB 3.39Å; S281-T284 PolarHBondContact O-N 3.25Å; S281-T284 VanDerWaalsContact O-N 3.1Å; S281-T284 PolarHBondContact O-OG1 2.8Å; S281-A285 PolarHBondContact O-N 3.49Å
282	S	57.5	Low	42.7	Very low	50 Å²	50	87.2 Å²	87.2	35%	0.35	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-71.8	-26.7	-178.8	53.7	0	0	0	0	114	N176 L280 T284 A285 S286	N176-S282 WeakPolarHBondContact CB-OG 3.31Å; N176-S282 PolarHBondContact ND2-OG 2.96Å; N176-S282 PolarHBondContact OD1-OG 2.79Å; L280-S282 VanDerWaalsContact C-N 3.27Å; L280-S282 PolarHBondContact O-N 3.2Å; S282-T284 PolarHBondContact O-N 3.07Å; S282-A285 PolarHBondContact O-N 2.86Å; S282-S286 PolarHBondContact O-N 3.09Å
283	V	56.9	Low	42.7	Very low	1 Å²	1	89.1 Å²	89.1	1%	0.006	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-63.5	-24.1	171.8	97.3	0	0	0	0	111.2	L112 V139 N176 L280 S281 S286	L112-V283 HydrophobicContact CD1-CG1 3.84Å; L112-V283 HydrophobicContact CD2-CG1 3.79Å; L112-V283 HydrophobicContact CG-CG1 4.46Å; V139-V283 WeakPolarHBondContact CB-O 3.5Å; N176-V283 WeakPolarHBondContact O-CA 3.32Å; N176-V283 WeakPolarHBondContact O-CB 3.44Å; N176-V283 VanDerWaalsContact O-CG2 3.25Å; N176-V283 WeakPolarHBondContact O-CG2 3.47Å; N176-V283 PolarHBondContact O-N 3.44Å; L280-V283 HydrophobicContact CB-CG1 4.47Å; L280-V283 WeakPolarHBondContact O-CG1 3.12Å; L280-V283 PolarHBondContact O-N 3.1Å; S281-V283 PolarHBondContact O-N 3.14Å; V283-S286 PolarHBondContact O-OG 3.3Å
284	T	53.5	Low	42.6	Very low	26 Å²	26	93 Å²	93	16%	0.16	51%	0.507	C	S	.	.	G	3₁₀ helix	trans	-86.7	-14.9	175.3	72	0	0	0	0	113.4	L112 S126 S281 S282	L112-T284 HydrophobicContact CD2-CG2 3.76Å; S126-T284 WeakPolarHBondContact OG-CG2 3.4Å; S281-T284 WeakPolarHBondContact O-CB 3.39Å; S281-T284 PolarHBondContact O-N 3.25Å; S281-T284 VanDerWaalsContact O-N 3.1Å; S281-T284 PolarHBondContact O-OG1 2.8Å; S282-T284 PolarHBondContact O-N 3.07Å
285	A	51.9	Low	42.3	Very low	75 Å²	75	96.5 Å²	96.5	62%	0.62	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-13.1	-176.7	0	0	0	0	0	113.5	S281 S282 E287	S281-A285 PolarHBondContact O-N 3.49Å; S282-A285 PolarHBondContact O-N 2.86Å; A285-E287 PolarHBondContact O-N 3.49Å; A285-E287 VanDerWaalsContact O-N 3.09Å
286	S	44.3	Very low	42.2	Very low	47 Å²	47	97.4 Å²	97.4	33%	0.329	53%	0.532	S	S	.	.			trans	-77.4	95.2	-179.6	59.3	0	0	0	0	111	S282 V283	S282-S286 PolarHBondContact O-N 3.09Å; V283-S286 PolarHBondContact O-OG 3.3Å
287	E	43.2	Very low	41.7	Very low	140 Å²	140	96 Å²	96	65%	0.654	53%	0.534	S	S	*	.			trans	-80.3	-0.5	164.9	-69.7	-160.1	166.8	0	0	112.3	A285 N289 F290	A285-E287 PolarHBondContact O-N 3.49Å; A285-E287 VanDerWaalsContact O-N 3.09Å; E287-N289 VanDerWaalsContact C-N 3.32Å; E287-N289 PolarHBondContact O-N 2.95Å; E287-N289 VanDerWaalsContact O-N 3.14Å; E287-F290 HydrophobicContact CB-CE2 3.82Å; E287-F290 HydrophobicContact CB-CZ 3.92Å; E287-F290 HydrophobicContact CG-CZ 4.34Å; E287-F290 WeakPolarHBondContact O-CD2 3.27Å; E287-F290 WeakPolarHBondContact O-CE2 3.26Å; E287-F290 VanDerWaalsContact O-CZ 3.29Å; E287-F290 WeakPolarHBondContact O-CZ 3.18Å
288	E	39	Very low	40.9	Very low	186 Å²	186	96.9 Å²	96.9	87%	0.869	54%	0.536	S	S	*	.			trans	-80	6.6	-166.9	-63.5	-166	160.5	0	0	117
289	N	34.2	Very low	40.2	Very low	120 Å²	120	103.9 Å²	103.9	64%	0.642	57%	0.566	S	S	*	*			trans	-108.7	56.2	179.7	-85.7	-19.9	0	0	0	112.8	E287	E287-N289 VanDerWaalsContact C-N 3.32Å; E287-N289 PolarHBondContact O-N 2.95Å; E287-N289 VanDerWaalsContact O-N 3.14Å
290	F	38.8	Very low	38.8	Very low	133 Å²	133	104.5 Å²	104.5	58%	0.583	57%	0.571	S	S	*	*			trans	-96.3	103.1	175	-60.5	-53.5	0	0	0	111.5	L137 E287	L137-F290 HydrophobicContact CD1-CD1 3.77Å; L137-F290 HydrophobicContact CD1-CE1 3.93Å; E287-F290 HydrophobicContact CB-CE2 3.82Å; E287-F290 HydrophobicContact CB-CZ 3.92Å; E287-F290 HydrophobicContact CG-CZ 4.34Å; E287-F290 WeakPolarHBondContact O-CD2 3.27Å; E287-F290 WeakPolarHBondContact O-CE2 3.26Å; E287-F290 VanDerWaalsContact O-CZ 3.29Å; E287-F290 WeakPolarHBondContact O-CZ 3.18Å
291	G	30.2	Very low	37.3	Very low	64 Å²	64	110 Å²	110	66%	0.66	60%	0.597	S	S	*	*			trans	-88.8	126.1	155.8	0	0	0	0	0	109.1	C293	G291-C293 PolarHBondContact O-N 3.07Å
292	D	25.6	Very low	35.8	Very low	169 Å²	169	110.4 Å²	110.4	90%	0.904	60%	0.599	S	S	*	*			trans	-51.8	106.4	178.1	-76	-37.4	0	0	0	111.5
293	C	27	Very low	34.3	Very low	108 Å²	108	113.7 Å²	113.7	73%	0.73	61%	0.612	S	S	*	*			trans	-126	93.6	166	-132.9	0	0	0	0	109.2	G291 I295	G291-C293 PolarHBondContact O-N 3.07Å; C293-I295 PolarHBondContact O-N 2.93Å
294	M	22.5	Very low	32.8	Very low	184 Å²	184	119 Å²	119	91%	0.906	64%	0.644	S	S	*	*			trans	-76	94.5	172	-69.1	-76.5	-75.3	0	0	108.9
295	I	29.2	Very low	31.6	Very low	117 Å²	117	124 Å²	124	60%	0.6	67%	0.669	S	S	*	*			trans	-134.2	121.1	157.7	-55.5	178.1	0	0	0	106.5	C293 P297	C293-I295 PolarHBondContact O-N 2.93Å; I295-P297 WeakPolarHBondContact O-CD 3.28Å
296	D	27.3	Very low	30.3	Very low	137 Å²	137	127 Å²	127	73%	0.733	68%	0.675	S	S	*	*			trans	-96.3	105.9	176.8	-176.9	5.3	0	0	0	108.6
297	P	30.2	Very low	29.4	Very low	57 Å²	57	130.8 Å²	130.8	37%	0.37	70%	0.701	S	S	.	*			trans	-105.4	114.6	173.3	22.5	-2.1	0	0	0	110.1	L93 I295	L93-P297 HydrophobicContact CB-CB 4.01Å; L93-P297 HydrophobicContact CB-CG 4.35Å; I295-P297 WeakPolarHBondContact O-CD 3.28Å
298	F	29.3	Very low	28.6	Very low	169 Å²	169	135 Å²	135	74%	0.741	71%	0.711	S	S	*	*			trans	-46.1	163.7	172.5	-84.7	-97	0	0	0	116.9	L93	L93-F298 VanDerWaalsContact CD1-O 3.29Å; L93-F298 WeakPolarHBondContact CD1-O 3.24Å
299	E	32.3	Very low	27.9	Very low	161 Å²	161	134.4 Å²	134.4	75%	0.752	71%	0.708	S	S	*	*			trans	77.6	73	165.4	-72.5	-172	169.9	0	0	117.6	E301	E299-E301 PolarHBondContact O-N 2.88Å
300	M	25.9	Very low	27.5	Very low	161 Å²	161	135 Å²	135	79%	0.793	72%	0.719	S	S	*	*			trans	-70.9	97.9	142.5	-166.5	-178.9	-153.9	0	0	107.8	S302	M300-S302 PolarHBondContact O-N 3.09Å
301	E	27.6	Very low	27	Very low	132 Å²	132	133.2 Å²	133.2	62%	0.617	72%	0.723	S	S	*	*			trans	-66.2	89.8	154.3	-84	-172.6	152	0	0	106.8	R89 E299 I303	R89-E301 IonicContact CZ-OE2 3.27Å; R89-E301 IonicContact NH2-OE2 3.12Å; R89-E301 PolarHBondContact NH2-OE2 3.28Å; E299-E301 PolarHBondContact O-N 2.88Å; E301-I303 PolarHBondContact O-N 3.28Å
302	S	25.9	Very low	26.9	Very low	81 Å²	81	135.9 Å²	135.9	57%	0.566	73%	0.729	S	S	*	*			trans	-64.7	97.2	156.2	54.6	0	0	0	0	105.8	M300 V304	M300-S302 PolarHBondContact O-N 3.09Å; S302-V304 PolarHBondContact O-N 3.24Å
303	I	25.8	Very low	27.2	Very low	120 Å²	120	133 Å²	133	62%	0.615	72%	0.717	S	S	*	*			trans	-65.6	89.2	156.5	-59	174.4	0	0	0	103.7	E301 L305	E301-I303 PolarHBondContact O-N 3.28Å; I303-L305 HydrophobicContact CG2-CG 4.27Å; I303-L305 PolarHBondContact O-N 2.75Å
304	V	24.9	Very low	27.4	Very low	111 Å²	111	132.3 Å²	132.3	67%	0.673	71%	0.713	S	S	*	*			trans	-63.1	89.8	164.4	179	0	0	0	0	104.3	S302 N306	S302-V304 PolarHBondContact O-N 3.24Å; V304-N306 VanDerWaalsContact C-N 3.26Å; V304-N306 PolarHBondContact O-N 2.94Å
305	L	27.7	Very low	28.1	Very low	131 Å²	131	128.1 Å²	128.1	69%	0.686	69%	0.69	S	S	*	*			trans	-58	103.1	162.9	-79	161.6	0	0	0	104.3	I303 S307	I303-L305 HydrophobicContact CG2-CG 4.27Å; I303-L305 PolarHBondContact O-N 2.75Å; L305-S307 PolarHBondContact O-N 3.46Å
306	N	25.8	Very low	28.1	Very low	139 Å²	139	127.2 Å²	127.2	74%	0.743	69%	0.691	S	S	*	*			trans	-41.2	124	164.3	-86.3	-27.4	0	0	0	106.3	V304 R308	V304-N306 VanDerWaalsContact C-N 3.26Å; V304-N306 PolarHBondContact O-N 2.94Å; N306-R308 PolarHBondContact O-N 2.03Å
307	S	25.9	Very low	28.4	Very low	127 Å²	127	127.3 Å²	127.3	89%	0.888	70%	0.697	S	S	*	*			trans	-57.4	77.7	173	54.5	0	0	0	0	108.7	L305	L305-S307 PolarHBondContact O-N 3.46Å
308	R	25	Very low	28.5	Very low	228 Å²	228	133.5 Å²	133.5	86%	0.86	72%	0.718	S	S	*	*			trans	-89	121.7	161.9	-93.7	-177.7	169.2	170.9	-2.6	104.6	N306	N306-R308 PolarHBondContact O-N 2.03Å
309	E	25.1	Very low	28.3	Very low	174 Å²	174	131.6 Å²	131.6	81%	0.813	72%	0.724	S	S	*	*			trans	-38.7	142.1	164.7	-70	176.6	146.6	0	0	109.6	S311	E309-S311 VanDerWaalsContact C-N 3.28Å; E309-S311 PolarHBondContact O-N 2.84Å
310	P	25.9	Very low	28.1	Very low	132 Å²	132	131.3 Å²	131.3	86%	0.857	73%	0.728	S	S	*	*			trans	-58	95.6	-179.7	23.9	-31.9	0	0	0	108.6
311	S	28.1	Very low	28.3	Very low	95 Å²	95	128.8 Å²	128.8	66%	0.664	73%	0.726	S	S	*	*			trans	-62.4	132.3	169.1	54.5	0	0	0	0	106.1	E309 V313	E309-S311 VanDerWaalsContact C-N 3.28Å; E309-S311 PolarHBondContact O-N 2.84Å; S311-V313 PolarHBondContact O-N 2.87Å; S311-V313 VanDerWaalsContact O-N 3.09Å
312	P	27.5	Very low	28.3	Very low	121 Å²	121	129.6 Å²	129.6	79%	0.786	74%	0.735	S	S	*	*			trans	-50.8	125.8	179.6	19.8	-30.4	0	0	0	108.3	S314	P312-S314 PolarHBondContact O-N 2.81Å
313	V	31.9	Very low	28.3	Very low	108 Å²	108	135.8 Å²	135.8	66%	0.655	75%	0.751	S	S	*	*			trans	-51.2	111.4	177.2	177.8	0	0	0	0	106.6	S311 F315	S311-V313 PolarHBondContact O-N 2.87Å; S311-V313 VanDerWaalsContact O-N 3.09Å; V313-F315 PolarHBondContact O-N 3.22Å
314	S	31.4	Very low	28.4	Very low	93 Å²	93	137.3 Å²	137.3	65%	0.65	76%	0.759	S	S	*	*			trans	-70.3	107.2	178.4	45.3	0	0	0	0	107	P312	P312-S314 PolarHBondContact O-N 2.81Å
315	F	36.8	Very low	28.3	Very low	97 Å²	97	136.1 Å²	136.1	43%	0.425	76%	0.756	S	S	.	*			trans	-55.3	141.4	166.7	-68	-85.2	0	0	0	108.3	Y18 V313 V317	Y18-F315 HydrophobicContact CD1-CD2 4.14Å; Y18-F315 HydrophobicContact CD1-CE2 4.12Å; Y18-F315 HydrophobicContact CD1-CZ 4.46Å; Y18-F315 VanDerWaalsContact O-CZ 3.27Å; Y18-F315 WeakPolarHBondContact O-CZ 3.08Å; V313-F315 PolarHBondContact O-N 3.22Å; F315-V317 PolarHBondContact O-N 2.96Å
316	P	29.9	Very low	28.2	Very low	97 Å²	97	135.8 Å²	135.8	63%	0.63	76%	0.763	S	S	*	*			trans	-54.6	113.9	173.2	20.3	-29	0	0	0	108.6	K318	P316-K318 PolarHBondContact O-N 3.46Å
317	V	33.3	Very low	28.3	Very low	140 Å²	140	135.4 Å²	135.4	85%	0.848	76%	0.761	S	S	*	*			trans	-56	125.9	168.7	176.3	0	0	0	0	106.2	F315 C319	F315-V317 PolarHBondContact O-N 2.96Å; V317-C319 PolarHBondContact O-N 3.44Å
318	K	31.9	Very low	28.4	Very low	186 Å²	186	138.4 Å²	138.4	81%	0.809	76%	0.758	S	S	*	*			trans	-32.5	127.7	179.3	-89.4	177.7	172.1	175	0	111.7	P316 N320	P316-K318 PolarHBondContact O-N 3.46Å; K318-N320 PolarHBondContact O-N 2.64Å
319	C	26.5	Very low	28.4	Very low	129 Å²	129	135.1 Å²	135.1	87%	0.872	76%	0.757	S	S	*	*			trans	-57.7	131.8	157.1	-109.7	0	0	0	0	107.8	V317 S321	V317-C319 PolarHBondContact O-N 3.44Å; C319-S321 PolarHBondContact O-N 2.9Å
320	N	26.4	Very low	28.5	Very low	155 Å²	155	133.7 Å²	133.7	83%	0.829	76%	0.755	S	S	*	*			trans	-43.9	129	178.6	-82.6	-28.2	0	0	0	110.3	K318 D322	K318-N320 PolarHBondContact O-N 2.64Å; N320-D322 PolarHBondContact O-N 3.29Å
321	S	30.1	Very low	28.7	Very low	109 Å²	109	134.5 Å²	134.5	76%	0.762	75%	0.75	S	S	*	*			trans	-56.3	98	174.9	51.7	0	0	0	0	110.2	C319 K323	C319-S321 PolarHBondContact O-N 2.9Å; S321-K323 PolarHBondContact O-N 3.39Å
322	D	28.7	Very low	28.6	Very low	149 Å²	149	137.1 Å²	137.1	80%	0.797	75%	0.752	S	S	*	*			trans	-61.5	126	145.2	-77.3	-26.8	0	0	0	106.1	N320 I324	N320-D322 PolarHBondContact O-N 3.29Å; D322-I324 VanDerWaalsContact C-N 3.3Å; D322-I324 PolarHBondContact O-N 2.93Å
323	K	26.6	Very low	28.6	Very low	210 Å²	210	138.9 Å²	138.9	91%	0.913	76%	0.755	S	S	*	*			trans	-52.4	88.1	-176.8	-71.3	172.1	173.5	174.3	0	110.8	S321 S325	S321-K323 PolarHBondContact O-N 3.39Å; K323-S325 PolarHBondContact O-N 3.49Å
324	I	26.2	Very low	28.4	Very low	152 Å²	152	139.5 Å²	139.5	78%	0.779	75%	0.754	S	S	*	*			trans	-81.1	107.3	160.2	-60.5	172.9	0	0	0	104.2	D322 C326	D322-I324 VanDerWaalsContact C-N 3.3Å; D322-I324 PolarHBondContact O-N 2.93Å; I324-C326 PolarHBondContact O-N 3.02Å; I324-C326 VanDerWaalsContact O-N 3.11Å
325	S	24.3	Very low	28.2	Very low	87 Å²	87	140 Å²	140	61%	0.608	76%	0.758	S	S	*	*			trans	-59.3	119	172.5	63.4	0	0	0	0	107.2	K323 D327	K323-S325 PolarHBondContact O-N 3.49Å; S325-D327 PolarHBondContact O-N 3.36Å; S325-D327 PolarHBondContact OG-OD1 3.25Å
326	C	25.1	Very low	27.8	Very low	123 Å²	123	142.9 Å²	142.9	83%	0.831	78%	0.777	S	S	*	*			trans	-67.5	84.9	163	-60	0	0	0	0	106	I324 K328	I324-C326 PolarHBondContact O-N 3.02Å; I324-C326 VanDerWaalsContact O-N 3.11Å; C326-K328 PolarHBondContact O-N 3.41Å
327	D	27.4	Very low	27.6	Very low	131 Å²	131	142.9 Å²	142.9	70%	0.701	78%	0.777	S	S	*	*			trans	-55.7	115.5	159.8	-77.7	-6.6	0	0	0	105.1	S325 L329	S325-D327 PolarHBondContact O-N 3.36Å; S325-D327 PolarHBondContact OG-OD1 3.25Å; D327-L329 VanDerWaalsContact C-N 3.3Å; D327-L329 PolarHBondContact O-N 2.95Å
328	K	27.6	Very low	27.5	Very low	190 Å²	190	140.6 Å²	140.6	83%	0.826	77%	0.773	S	S	*	*			trans	-49.7	101	173.5	-78	174.6	172.5	178	0	106.6	C326 D330	C326-K328 PolarHBondContact O-N 3.41Å; K328-D330 PolarHBondContact O-N 2.94Å
329	L	26.3	Very low	27.2	Very low	160 Å²	160	138.9 Å²	138.9	84%	0.838	77%	0.773	S	S	*	*			trans	-67.1	97.5	164	-80.5	156.5	0	0	0	104.5	D327 I331	D327-L329 VanDerWaalsContact C-N 3.3Å; D327-L329 PolarHBondContact O-N 2.95Å; L329-I331 VanDerWaalsContact C-N 3.3Å; L329-I331 PolarHBondContact O-N 2.96Å
330	D	27.3	Very low	27.3	Very low	143 Å²	143	138.3 Å²	138.3	77%	0.765	76%	0.76	S	S	*	*			trans	-57.1	99.9	167.5	-80.8	-30.4	0	0	0	107	K328 Q332	K328-D330 PolarHBondContact O-N 2.94Å; D330-Q332 PolarHBondContact O-N 3.22Å
331	I	28.6	Very low	27.3	Very low	150 Å²	150	136.4 Å²	136.4	77%	0.769	75%	0.75	S	S	*	*			trans	-73.4	76.7	171.4	-55.8	172.6	0	0	0	105.7	L329 N333	L329-I331 VanDerWaalsContact C-N 3.3Å; L329-I331 PolarHBondContact O-N 2.96Å; I331-N333 PolarHBondContact O-N 2.84Å
332	Q	26.7	Very low	27.2	Very low	149 Å²	149	139.4 Å²	139.4	70%	0.696	75%	0.751	S	S	*	*			trans	-64.5	123.6	157.6	-81.9	-171	-14.9	0	0	106.7	D330 N334	D330-Q332 PolarHBondContact O-N 3.22Å; Q332-N334 PolarHBondContact O-N 3.46Å
333	N	27.9	Very low	27.6	Very low	158 Å²	158	135.3 Å²	135.3	85%	0.845	73%	0.734	S	S	*	*			trans	-59.1	71.7	169.3	-75	-30.4	0	0	0	109.6	I331 S335	I331-N333 PolarHBondContact O-N 2.84Å; N333-S335 PolarHBondContact O-N 3.38Å; N333-S335 VanDerWaalsContact O-N 3.14Å
334	N	27.4	Very low	28	Very low	121 Å²	121	130.1 Å²	130.1	65%	0.647	72%	0.723	S	S	*	*			trans	-79.5	104	174.5	-76.6	-12.4	0	0	0	107	Q332	Q332-N334 PolarHBondContact O-N 3.46Å
335	S	27.4	Very low	28.9	Very low	105 Å²	105	132.1 Å²	132.1	73%	0.734	73%	0.725	S	S	*	*			trans	-23.9	136.7	153	48.2	0	0	0	0	112.3	N333 P337	N333-S335 PolarHBondContact O-N 3.38Å; N333-S335 VanDerWaalsContact O-N 3.14Å; S335-P337 VanDerWaalsContact O-N 3.16Å
336	L	28.5	Very low	30.2	Very low	157 Å²	157	129.3 Å²	129.3	82%	0.822	70%	0.703	S	S	*	*			trans	-32.2	116.3	179.9	-82.6	105	0	0	0	112.1	A338	L336-A338 PolarHBondContact O-N 3.23Å; L336-A338 VanDerWaalsContact O-N 3.13Å
337	P	26.2	Very low	31.4	Very low	97 Å²	97	126.5 Å²	126.5	63%	0.63	69%	0.685	S	S	*	*			trans	-62.1	119.7	170.6	-14.6	27.6	0	0	0	107.9	S335 D339	S335-P337 VanDerWaalsContact O-N 3.16Å; P337-D339 PolarHBondContact O-N 3.29Å; P337-D339 VanDerWaalsContact O-N 3.12Å
338	A	29.7	Very low	33	Very low	91 Å²	91	126.5 Å²	126.5	75%	0.752	68%	0.679	S	S	*	*	S	Bend	trans	-68.2	0.5	175	0	0	0	0	0	113.2	L336 L340	L336-A338 PolarHBondContact O-N 3.23Å; L336-A338 VanDerWaalsContact O-N 3.13Å; A338-L340 PolarHBondContact O-N 3.14Å
339	D	26.3	Very low	34.9	Very low	151 Å²	151	118.6 Å²	118.6	81%	0.807	65%	0.647	S	S	*	*			trans	-97.8	43.2	-178.8	-75.3	-24.8	0	0	0	113.1	P337 N341	P337-D339 PolarHBondContact O-N 3.29Å; P337-D339 VanDerWaalsContact O-N 3.12Å; D339-N341 PolarHBondContact O-N 2.86Å; D339-N341 VanDerWaalsContact O-N 3.15Å
340	L	27.7	Very low	37.4	Very low	117 Å²	117	114.3 Å²	114.3	61%	0.613	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-0.8	168.7	-101.5	149.4	0	0	0	113.4	A338	A338-L340 PolarHBondContact O-N 3.14Å
341	N	27.5	Very low	40.2	Very low	114 Å²	114	107.6 Å²	107.6	61%	0.61	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	1.6	-160.9	-73.3	-27.6	0	0	0	117.2	D339	D339-N341 PolarHBondContact O-N 2.86Å; D339-N341 VanDerWaalsContact O-N 3.15Å
342	H	28.8	Very low	43.1	Very low	172 Å²	172	103.2 Å²	103.2	80%	0.796	57%	0.566	S	S	*	*			trans	-146.1	88.6	173.6	-79.1	-48.7	0	0	0	112.6
343	S	35.9	Very low	46.3	Very low	63 Å²	63	96.1 Å²	96.1	44%	0.441	53%	0.532	S	S	.	.			trans	-57.3	138.9	156.1	54.9	0	0	0	0	109.5	K345	S343-K345 PolarHBondContact O-N 2.76Å
344	P	35.8	Very low	49.5	Very low	102 Å²	102	88.6 Å²	88.6	66%	0.662	49%	0.492	S	S	*	.			trans	-62.1	108.8	-179.5	22.4	-30.7	0	0	0	109.2	I63 Q346	I63-P344 HydrophobicContact CD1-CG 3.98Å; P344-Q346 PolarHBondContact O-N 2.75Å
345	K	45	Very low	52.8	Low	193 Å²	193	82.9 Å²	82.9	84%	0.839	46%	0.461	S	S	*	.			trans	-59.2	103	173.8	-77.3	-178.2	176.9	178.9	0	108.4	S343 S347	S343-K345 PolarHBondContact O-N 2.76Å; K345-S347 PolarHBondContact O-N 2.61Å; K345-S347 VanDerWaalsContact O-N 3.14Å
346	Q	50.4	Low	56.2	Low	28 Å²	28	77.9 Å²	77.9	13%	0.131	43%	0.426	C	S	.	.			trans	-66.6	113.8	178.3	-150.8	171	15.4	0	0	107.9	P344 F348 Y392	P344-Q346 PolarHBondContact O-N 2.75Å; Q346-F348 PolarHBondContact O-N 3.35Å; Q346-Y392 PolarHBondContact OE1-OH 3.44Å
347	S	51.6	Low	59.6	Low	65 Å²	65	70.4 Å²	70.4	46%	0.455	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-63.3	125.8	-177.4	163.1	0	0	0	0	110.9	K345 K410	K345-S347 PolarHBondContact O-N 2.61Å; K345-S347 VanDerWaalsContact O-N 3.14Å; S347-K410 PolarHBondContact O-N 3.46Å
348	F	60.6	Low	63	Low	131 Å²	131	67.3 Å²	67.3	58%	0.575	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-77	146.9	-178.8	-63.5	-76.6	0	0	0	111.8	Q346 K391	Q346-F348 PolarHBondContact O-N 3.35Å; F348-K391 HydrophobicContact CE1-CD 4.16Å
349	S	67.9	Low	66.3	Low	23 Å²	23	64 Å²	64	16%	0.161	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-80.6	146.5	170.5	-171.9	0	0	0	0	110	V351 I408 N411	S349-V351 PolarHBondContact O-N 3.31Å; S349-V351 WeakPolarHBondContact OG-CB 3.4Å; S349-V351 WeakPolarHBondContact OG-CG2 3.4Å; S349-V351 PolarHBondContact OG-N 3.34Å; S349-I408 VanDerWaalsContact CB-O 3.24Å; S349-I408 WeakPolarHBondContact CB-O 3.28Å; S349-N411 WeakPolarHBondContact CA-OD1 3.34Å; S349-N411 PolarHBondContact OG-OD1 3.29Å
350	N	77.6	Confident	69.7	Low	70 Å²	70	59.9 Å²	59.9	37%	0.374	31%	0.314	S	S	.	.	S	Bend	trans	-79	5.3	169.6	-73.8	-39.5	0	0	0	112.3	H352 D366 R368 N411	N350-H352 PolarHBondContact O-CE1 2.97Å; N350-H352 PolarHBondContact O-N 2.72Å; N350-H352 PolarHBondContact O-ND1 2.88Å; N350-D366 WeakPolarHBondContact O-CA 3.48Å; N350-D366 VanDerWaalsContact O-CB 3.27Å; N350-D366 WeakPolarHBondContact O-CB 3.35Å; N350-R368 PolarHBondContact OD1-NH2 3.37Å; N350-N411 PolarHBondContact N-OD1 3.01Å
351	V	87.3	Confident	73.1	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.018	30%	0.298	C	S	.	.			trans	-78.9	116	173.3	176.9	0	0	0	0	108.9	I239 S349 I354 W365 V374	I239-V351 VanDerWaalsContact CD1-O 3.24Å; I239-V351 WeakPolarHBondContact CD1-O 3.26Å; S349-V351 PolarHBondContact O-N 3.31Å; S349-V351 WeakPolarHBondContact OG-CB 3.4Å; S349-V351 WeakPolarHBondContact OG-CG2 3.4Å; S349-V351 PolarHBondContact OG-N 3.34Å; V351-I354 HydrophobicContact CG1-CD1 4.4Å; V351-I354 HydrophobicContact CG1-CG1 3.81Å; V351-W365 WeakPolarHBondContact CA-O 3.45Å; V351-V374 HydrophobicContact CG2-CB 4.16Å; V351-V374 HydrophobicContact CG2-CG1 4.41Å; V351-V374 HydrophobicContact CG2-CG2 4.49Å
352	H	89	Confident	76.4	Confident	58 Å²	58	52.3 Å²	52.3	27%	0.269	27%	0.269	S	S	.	.			trans	-101.3	-25.1	175	-56.3	101.3	0	0	0	111.8	L197 I239 N350 W365 D366 V367	L197-H352 HydrophobicContact CD2-CB 4.31Å; I239-H352 PolarHBondContact N-O 3.13Å; N350-H352 PolarHBondContact O-CE1 2.97Å; N350-H352 PolarHBondContact O-N 2.72Å; N350-H352 PolarHBondContact O-ND1 2.88Å; H352-W365 PolarHBondContact N-O 2.87Å; H352-D366 IonicContact CE1-OD1 2.77Å; H352-D366 PolarHBondContact CE1-OD1 3.06Å; H352-D366 IonicContact ND1-OD1 2.99Å; H352-D366 PolarHBondContact ND1-OD1 3.26Å; H352-D366 VanDerWaalsContact ND1-OD1 3.16Å; H352-V367 HydrophobicContact CB-CG1 4.02Å; H352-V367 HydrophobicContact CB-CG2 3.99Å
353	L	93.2	Very high	79.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	140.6	-172.2	-174.1	66.2	0	0	0	110.7	L197 A203 V211 L213 M227 I236 A238 T355 G364 W365 V367	L197-L353 HydrophobicContact CD2-CB 4.11Å; L197-L353 HydrophobicContact CD2-CD1 4.11Å; A203-L353 HydrophobicContact CB-CD1 3.64Å; A203-L353 HydrophobicContact CB-CD2 3.6Å; A203-L353 HydrophobicContact CB-CG 4.27Å; V211-L353 HydrophobicContact CG1-CD2 3.99Å; L213-L353 HydrophobicContact CD2-CD2 4.36Å; M227-L353 HydrophobicContact CE-CD2 4.36Å; M227-L353 HydrophobicContact SD-CD2 3.79Å; I236-L353 HydrophobicContact CD1-CD1 3.77Å; I236-L353 HydrophobicContact CD1-CD2 4.14Å; I236-L353 HydrophobicContact CD1-CG 4.23Å; I236-L353 HydrophobicContact CG1-CD1 3.64Å; I236-L353 HydrophobicContact CG1-CG 4.21Å; A238-L353 HydrophobicContact CB-CD1 3.88Å; L353-T355 HydrophobicContact CD2-CG2 4.35Å; L353-T355 HydrophobicContact CG-CG2 4.31Å; L353-G364 CarbonylContact O-C 3.59Å; L353-G364 WeakPolarHBondContact O-CA 3.31Å; L353-W365 HydrophobicContact CB-CB 4.25Å; L353-W365 PolarHBondContact N-O 3.35Å; L353-W365 PolarHBondContact O-N 3.19Å; L353-V367 HydrophobicContact CB-CG1 4.32Å
354	I	95.7	Very high	82.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.9	177.6	-53.1	178.1	0	0	0	109.1	I236 D237 V351 I362 A363 L386 L388 L394 I408 F413	I236-I354 CarbonylContact C-O 3.59Å; I236-I354 VanDerWaalsContact CA-O 3.3Å; I236-I354 WeakPolarHBondContact CA-O 3.25Å; I236-I354 WeakPolarHBondContact CG1-O 3.43Å; D237-I354 PolarHBondContact N-O 2.88Å; D237-I354 PolarHBondContact O-N 3.12Å; V351-I354 HydrophobicContact CG1-CD1 4.4Å; V351-I354 HydrophobicContact CG1-CG1 3.81Å; I354-I362 HydrophobicContact CG2-CG2 3.7Å; I354-A363 CarbonylContact C-O 3.4Å; I354-A363 WeakPolarHBondContact CA-O 3.25Å; I354-L386 HydrophobicContact CG2-CD1 4.08Å; I354-L388 HydrophobicContact CD1-CD2 3.93Å; I354-L394 HydrophobicContact CD1-CB 4.46Å; I354-L394 HydrophobicContact CD1-CD1 4.19Å; I354-L394 HydrophobicContact CD1-CD2 3.94Å; I354-L394 HydrophobicContact CD1-CG 4.42Å; I354-L394 HydrophobicContact CG2-CD2 3.78Å; I354-I408 HydrophobicContact CD1-CD1 3.86Å; I354-I408 HydrophobicContact CD1-CG2 4.31Å; I354-F413 HydrophobicContact CD1-CE2 4.14Å; I354-F413 HydrophobicContact CG1-CE2 4.34Å; I354-F413 HydrophobicContact CG2-CE2 4.23Å; I354-F413 HydrophobicContact CG2-CZ 3.89Å
355	T	97.7	Very high	85	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148.1	-177.7	60.8	0	0	0	0	110.4	V211 H229 V233 C235 I236 L353 I362 A363 W365	V211-T355 HydrophobicContact CG1-CG2 4.26Å; V211-T355 HydrophobicContact CG2-CG2 3.82Å; H229-T355 PolarHBondContact NE2-OG1 3.47Å; V233-T355 HydrophobicContact CG1-CG2 4.42Å; C235-T355 WeakPolarHBondContact O-CA 3.4Å; I236-T355 HydrophobicContact CD1-CG2 3.91Å; I236-T355 HydrophobicContact CG1-CG2 3.77Å; L353-T355 HydrophobicContact CD2-CG2 4.35Å; L353-T355 HydrophobicContact CG-CG2 4.31Å; T355-I362 CarbonylContact O-C 3.54Å; T355-I362 VanDerWaalsContact O-CA 3.26Å; T355-I362 WeakPolarHBondContact O-CA 3.43Å; T355-I362 WeakPolarHBondContact O-CG2 3.37Å; T355-A363 PolarHBondContact N-O 2.7Å; T355-A363 PolarHBondContact O-N 2.87Å; T355-W365 PolarHBondContact OG1-NE1 2.59Å
356	G	98.3	Very high	87.1	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.3	174	0	0	0	0	0	110.9	V233 L234 C235	V233-G356 CarbonylContact C-O 3.51Å; L234-G356 PolarHBondContact N-O 3.04Å; C235-G356 PolarHBondContact N-O 3.12Å; C235-G356 PolarHBondContact O-N 3.07Å
357	S	98.7	Very high	88.9	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153.8	-175.3	171.1	0	0	0	0	113.2	H229 K231 A232 D359 Q360 Y361 Y382 P383	H229-S357 VanDerWaalsContact CG-CB 3.49Å; H229-S357 WeakPolarHBondContact ND1-CB 3.37Å; K231-S357 PolarHBondContact O-OG 3.27Å; A232-S357 WeakPolarHBondContact O-CA 3.32Å; A232-S357 WeakPolarHBondContact O-CB 3.32Å; A232-S357 PolarHBondContact O-OG 3.28Å; S357-D359 WeakPolarHBondContact CB-OD1 3.3Å; S357-D359 PolarHBondContact O-N 2.73Å; S357-D359 PolarHBondContact OG-N 2.75Å; S357-D359 VanDerWaalsContact OG-N 3.12Å; S357-D359 PolarHBondContact OG-OD1 2.91Å; S357-Q360 PolarHBondContact O-N 3.44Å; S357-Q360 VanDerWaalsContact O-N 3.08Å; S357-Y361 PolarHBondContact N-O 3.17Å; S357-Y382 WeakPolarHBondContact O-CB 3.26Å; S357-P383 WeakPolarHBondContact O-CD 3.34Å
358	S	98.5	Very high	90.5	Very high	33 Å²	33	33.4 Å²	33.4	23%	0.231	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-9.8	168.9	57.5	0	0	0	0	113.6	K231 A232 Q360	K231-S358 WeakPolarHBondContact CB-OG 3.5Å; A232-S358 PolarHBondContact N-OG 2.84Å; A232-S358 PolarHBondContact O-N 3.14Å; A232-S358 PolarHBondContact O-OG 3.01Å; A232-S358 VanDerWaalsContact O-OG 3.1Å; S358-Q360 PolarHBondContact O-N 3.12Å
359	D	98.3	Very high	91.7	Very high	20 Å²	20	31.5 Å²	31.5	11%	0.107	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	3.9	170.8	73	6.9	0	0	0	114.6	H229 K230 K231 S357 Y361	H229-D359 WeakPolarHBondContact CB-OD2 3.3Å; H229-D359 IonicContact CG-OD2 2.91Å; H229-D359 IonicContact ND1-OD1 3.18Å; H229-D359 IonicContact ND1-OD2 3.23Å; H229-D359 PolarHBondContact ND1-OD2 2.64Å; K230-D359 HydrophobicContact CB-CB 3.9Å; K230-D359 PolarHBondContact N-OD2 2.72Å; K231-D359 HydrophobicContact CB-CB 3.95Å; K231-D359 HydrophobicContact CD-CB 4.36Å; K231-D359 HydrophobicContact CG-CB 3.96Å; S357-D359 WeakPolarHBondContact CB-OD1 3.3Å; S357-D359 PolarHBondContact O-N 2.73Å; S357-D359 PolarHBondContact OG-N 2.75Å; S357-D359 VanDerWaalsContact OG-N 3.12Å; S357-D359 PolarHBondContact OG-OD1 2.91Å; D359-Y361 VanDerWaalsContact C-N 3.32Å; D359-Y361 VanDerWaalsContact O-CD2 3.31Å; D359-Y361 WeakPolarHBondContact O-CD2 3.42Å; D359-Y361 WeakPolarHBondContact OD1-CB 3.34Å; D359-Y361 PolarHBondContact OD1-N 3.24Å
360	Q	98.5	Very high	92.6	Very high	65 Å²	65	31 Å²	31	30%	0.304	15%	0.149	S	C	.	.	S	Bend	trans	81.1	0.7	-179.5	-47.8	-177.1	-36	0	0	115.2	S357 S358 K378 L379 S380 R381	S357-Q360 PolarHBondContact O-N 3.44Å; S357-Q360 VanDerWaalsContact O-N 3.08Å; S358-Q360 PolarHBondContact O-N 3.12Å; Q360-K378 HydrophobicContact CB-CG 4.27Å; Q360-L379 PolarHBondContact O-N 3.5Å; Q360-S380 PolarHBondContact NE2-O 3.13Å; Q360-R381 WeakPolarHBondContact CA-O 3.39Å; Q360-R381 WeakPolarHBondContact CB-O 3.44Å; Q360-R381 WeakPolarHBondContact CG-O 3.44Å
361	Y	98.1	Very high	93	Very high	72 Å²	72	31.9 Å²	31.9	28%	0.282	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140.9	-178	-71.2	-96	0	0	0	112.5	S357 D359 K376 H377 K378	S357-Y361 PolarHBondContact N-O 3.17Å; D359-Y361 VanDerWaalsContact C-N 3.32Å; D359-Y361 VanDerWaalsContact O-CD2 3.31Å; D359-Y361 WeakPolarHBondContact O-CD2 3.42Å; D359-Y361 WeakPolarHBondContact OD1-CB 3.34Å; D359-Y361 PolarHBondContact OD1-N 3.24Å; Y361-K376 HydrophobicContact CD1-CB 3.96Å; Y361-K376 HydrophobicContact CD1-CD 4.43Å; Y361-K376 HydrophobicContact CE1-CB 4.41Å; Y361-H377 WeakPolarHBondContact CA-O 3.48Å; Y361-K378 HydrophobicContact CD1-CB 4.02Å; Y361-K378 HydrophobicContact CD2-CG 4.49Å; Y361-K378 HydrophobicContact CE1-CB 3.61Å; Y361-K378 HydrophobicContact CE1-CG 4.1Å; Y361-K378 HydrophobicContact CE2-CB 4.43Å; Y361-K378 HydrophobicContact CE2-CD 4.28Å; Y361-K378 HydrophobicContact CE2-CG 4.01Å
362	I	97.5	Very high	93.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135.2	154.8	-49.8	155.3	0	0	0	106.6	I354 T355 K376 H377 L379 P383 L394 V396 F406 F413	I354-I362 HydrophobicContact CG2-CG2 3.7Å; T355-I362 CarbonylContact O-C 3.54Å; T355-I362 VanDerWaalsContact O-CA 3.26Å; T355-I362 WeakPolarHBondContact O-CA 3.43Å; T355-I362 WeakPolarHBondContact O-CG2 3.37Å; I362-K376 CarbonylContact O-C 3.57Å; I362-K376 WeakPolarHBondContact O-CA 2.9Å; I362-H377 PolarHBondContact N-O 3.09Å; I362-H377 PolarHBondContact O-N 3.43Å; I362-L379 HydrophobicContact CD1-CD1 3.93Å; I362-L379 HydrophobicContact CD1-CD2 4.03Å; I362-L379 HydrophobicContact CD1-CG 4Å; I362-L379 HydrophobicContact CG1-CD1 4.17Å; I362-L379 HydrophobicContact CG1-CG 4.35Å; I362-P383 HydrophobicContact CG1-CB 4.01Å; I362-P383 HydrophobicContact CG1-CG 3.91Å; I362-L394 HydrophobicContact CG2-CD2 4.47Å; I362-V396 HydrophobicContact CD1-CB 4.36Å; I362-V396 HydrophobicContact CD1-CG1 3.92Å; I362-V396 HydrophobicContact CD1-CG2 3.99Å; I362-V396 HydrophobicContact CG1-CG1 4.38Å; I362-F406 HydrophobicContact CD1-CD2 4.46Å; I362-F406 HydrophobicContact CD1-CE1 4.22Å; I362-F406 HydrophobicContact CD1-CE2 3.57Å; I362-F406 HydrophobicContact CD1-CZ 3.44Å; I362-F406 VanDerWaalsContact CD1-CZ 3.44Å; I362-F413 HydrophobicContact CB-CE1 4.02Å; I362-F413 HydrophobicContact CB-CZ 4.37Å; I362-F413 HydrophobicContact CG2-CE1 3.66Å; I362-F413 HydrophobicContact CG2-CZ 3.51Å
363	A	95.6	Very high	93.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.5	177.8	0	0	0	0	0	111.1	I354 T355 W365 P373 H375 K376	I354-A363 CarbonylContact C-O 3.4Å; I354-A363 WeakPolarHBondContact CA-O 3.25Å; T355-A363 PolarHBondContact N-O 2.7Å; T355-A363 PolarHBondContact O-N 2.87Å; A363-W365 HydrophobicContact CB-CZ2 3.79Å; A363-P373 HydrophobicContact CB-CB 3.96Å; A363-P373 HydrophobicContact CB-CG 4.25Å; A363-H375 VanDerWaalsContact CA-O 3.28Å; A363-H375 WeakPolarHBondContact CA-O 3.05Å; A363-K376 HydrophobicContact CB-CG 4.41Å
364	G	93.6	Very high	93	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.6	170.1	0	0	0	0	0	109.9	L353 P373 V374 H375	L353-G364 CarbonylContact O-C 3.59Å; L353-G364 WeakPolarHBondContact O-CA 3.31Å; G364-P373 CarbonylContact O-C 3.52Å; G364-P373 WeakPolarHBondContact O-CA 3.29Å; G364-P373 VanDerWaalsContact O-CB 3.28Å; G364-P373 WeakPolarHBondContact O-CB 2.79Å; G364-V374 PolarHBondContact O-N 3.36Å; G364-H375 PolarHBondContact N-O 3.01Å; G364-H375 PolarHBondContact O-N 2.98Å
365	W	92.3	Very high	92.8	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.011	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.3	-172.1	-53.6	87	0	0	0	112.2	M227 H229 V351 H352 L353 T355 A363 P373	M227-W365 HydrophobicContact CB-CD2 4.11Å; M227-W365 HydrophobicContact CB-CE3 3.85Å; M227-W365 HydrophobicContact CB-CH2 4.02Å; M227-W365 HydrophobicContact CB-CZ2 4.27Å; M227-W365 HydrophobicContact CB-CZ3 3.8Å; M227-W365 HydrophobicContact CE-CB 3.65Å; M227-W365 HydrophobicContact CE-CG 4.2Å; M227-W365 HydrophobicContact CG-CD2 3.9Å; M227-W365 HydrophobicContact CG-CE3 3.54Å; M227-W365 HydrophobicContact CG-CG 4.43Å; M227-W365 HydrophobicContact CG-CZ3 3.92Å; M227-W365 HydrophobicContact SD-CB 3.72Å; M227-W365 HydrophobicContact SD-CD2 3.68Å; M227-W365 HydrophobicContact SD-CE3 3.91Å; M227-W365 HydrophobicContact SD-CG 3.6Å; M227-W365 VanDerWaalsContact SD-CG 3.6Å; H229-W365 AromaticContact NE2-CZ2 3.78Å; V351-W365 WeakPolarHBondContact CA-O 3.45Å; H352-W365 PolarHBondContact N-O 2.87Å; L353-W365 HydrophobicContact CB-CB 4.25Å; L353-W365 PolarHBondContact N-O 3.35Å; L353-W365 PolarHBondContact O-N 3.19Å; T355-W365 PolarHBondContact OG1-NE1 2.59Å; A363-W365 HydrophobicContact CB-CZ2 3.79Å; W365-P373 HydrophobicContact CD2-CB 3.71Å; W365-P373 HydrophobicContact CE3-CB 3.6Å; W365-P373 HydrophobicContact CE3-CG 4.29Å; W365-P373 HydrophobicContact CG-CB 4.39Å; W365-P373 HydrophobicContact CH2-CB 3.97Å; W365-P373 HydrophobicContact CH2-CG 3.86Å; W365-P373 HydrophobicContact CZ2-CB 4.05Å; W365-P373 HydrophobicContact CZ2-CG 4.2Å; W365-P373 HydrophobicContact CZ3-CB 3.75Å; W365-P373 VanDerWaalsContact CZ3-CD 3.44Å; W365-P373 HydrophobicContact CZ3-CG 3.91Å
366	D	89.8	Confident	92.6	Very high	17 Å²	17	47.5 Å²	47.5	9%	0.091	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-91.8	113.8	161.5	-171.9	-20	0	0	0	107.5	N350 H352 R368 N369 V374	N350-D366 WeakPolarHBondContact O-CA 3.48Å; N350-D366 VanDerWaalsContact O-CB 3.27Å; N350-D366 WeakPolarHBondContact O-CB 3.35Å; H352-D366 IonicContact CE1-OD1 2.77Å; H352-D366 PolarHBondContact CE1-OD1 3.06Å; H352-D366 IonicContact ND1-OD1 2.99Å; H352-D366 PolarHBondContact ND1-OD1 3.26Å; H352-D366 VanDerWaalsContact ND1-OD1 3.16Å; D366-R368 PolarHBondContact O-N 3.28Å; D366-R368 VanDerWaalsContact O-N 3.12Å; D366-R368 VanDerWaalsContact OD1-CB 3.28Å; D366-R368 WeakPolarHBondContact OD1-CB 2.98Å; D366-R368 WeakPolarHBondContact OD1-CG 3.16Å; D366-R368 IonicContact OD1-CZ 3.59Å; D366-R368 PolarHBondContact OD1-N 3.35Å; D366-R368 IonicContact OD1-NE 3.65Å; D366-R368 PolarHBondContact OD1-NE 3.17Å; D366-R368 IonicContact OD1-NH2 3.73Å; D366-R368 IonicContact OD2-CZ 3.69Å; D366-R368 IonicContact OD2-NE 2.76Å; D366-R368 PolarHBondContact OD2-NE 3.4Å; D366-R368 IonicContact OD2-NH2 3.44Å; D366-R368 PolarHBondContact OD2-NH2 3.38Å; D366-N369 CarbonylContact O-C 3.53Å; D366-N369 PolarHBondContact O-N 3.39Å; D366-N369 VanDerWaalsContact O-O 3.05Å; D366-V374 HydrophobicContact CB-CG2 3.67Å
367	V	87.4	Confident	92.5	Very high	41 Å²	41	50.2 Å²	50.2	25%	0.248	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.7	-179.8	-64	0	0	0	0	113	L197 L213 M227 H352 L353 V370	L197-V367 HydrophobicContact CD1-CG1 3.68Å; L197-V367 HydrophobicContact CD2-CG1 3.91Å; L197-V367 HydrophobicContact CG-CG1 4.48Å; L213-V367 HydrophobicContact CD1-CB 4Å; L213-V367 HydrophobicContact CD1-CG1 4.1Å; L213-V367 HydrophobicContact CD2-CG1 4.39Å; M227-V367 HydrophobicContact CE-CB 4.27Å; M227-V367 HydrophobicContact CE-CG1 3.84Å; H352-V367 HydrophobicContact CB-CG1 4.02Å; H352-V367 HydrophobicContact CB-CG2 3.99Å; L353-V367 HydrophobicContact CB-CG1 4.32Å; V367-V370 VanDerWaalsContact O-CG1 3.25Å; V367-V370 WeakPolarHBondContact O-CG1 3.43Å
368	R	85.9	Confident	92.4	Very high	166 Å²	166	55.8 Å²	55.8	63%	0.626	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-22	173.9	-54.4	168.3	-63.5	-170.1	2.7	112.3	N350 D366	N350-R368 PolarHBondContact OD1-NH2 3.37Å; D366-R368 PolarHBondContact O-N 3.28Å; D366-R368 VanDerWaalsContact O-N 3.12Å; D366-R368 VanDerWaalsContact OD1-CB 3.28Å; D366-R368 WeakPolarHBondContact OD1-CB 2.98Å; D366-R368 WeakPolarHBondContact OD1-CG 3.16Å; D366-R368 IonicContact OD1-CZ 3.59Å; D366-R368 PolarHBondContact OD1-N 3.35Å; D366-R368 IonicContact OD1-NE 3.65Å; D366-R368 PolarHBondContact OD1-NE 3.17Å; D366-R368 IonicContact OD1-NH2 3.73Å; D366-R368 IonicContact OD2-CZ 3.69Å; D366-R368 IonicContact OD2-NE 2.76Å; D366-R368 PolarHBondContact OD2-NE 3.4Å; D366-R368 IonicContact OD2-NH2 3.44Å; D366-R368 PolarHBondContact OD2-NH2 3.38Å
369	N	85.8	Confident	92.4	Very high	90 Å²	90	54.8 Å²	54.8	48%	0.481	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-135.1	84.1	177.2	-176.2	5.3	0	0	0	110.6	D366 S371	D366-N369 CarbonylContact O-C 3.53Å; D366-N369 PolarHBondContact O-N 3.39Å; D366-N369 VanDerWaalsContact O-O 3.05Å; N369-S371 VanDerWaalsContact C-N 3.31Å; N369-S371 PolarHBondContact O-N 2.99Å; N369-S371 PolarHBondContact OD1-OG 2.88Å
370	V	86.7	Confident	92.3	Very high	13 Å²	13	57 Å²	57	8%	0.079	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-3.2	-172.1	-52.2	0	0	0	0	114.5	L213 S225 M227 V367 Q372	L213-V370 HydrophobicContact CD1-CG1 4.18Å; S225-V370 WeakPolarHBondContact O-CG2 3.39Å; S225-V370 WeakPolarHBondContact OG-CG2 3.02Å; M227-V370 HydrophobicContact CE-CB 3.99Å; M227-V370 HydrophobicContact CE-CG1 3.41Å; M227-V370 VanDerWaalsContact CE-CG1 3.41Å; M227-V370 HydrophobicContact CG-CB 3.67Å; M227-V370 HydrophobicContact CG-CG1 4.1Å; V367-V370 VanDerWaalsContact O-CG1 3.25Å; V367-V370 WeakPolarHBondContact O-CG1 3.43Å; V370-Q372 VanDerWaalsContact C-N 3.35Å; V370-Q372 PolarHBondContact O-N 3.1Å
371	S	84.9	Confident	92.2	Very high	88 Å²	88	60 Å²	60	62%	0.615	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-35.6	-173.5	65.2	0	0	0	0	112.8	N369	N369-S371 VanDerWaalsContact C-N 3.31Å; N369-S371 PolarHBondContact O-N 2.99Å; N369-S371 PolarHBondContact OD1-OG 2.88Å
372	Q	88.6	Confident	92.2	Very high	149 Å²	149	60.9 Å²	60.9	70%	0.696	30%	0.295	S	S	*	.	S	Bend	trans	-144.8	141.8	175.8	-62	-170.5	9.1	0	0	108.8	V370	V370-Q372 VanDerWaalsContact C-N 3.35Å; V370-Q372 PolarHBondContact O-N 3.1Å
373	P	91.6	Very high	92.3	Very high	22 Å²	22	60.9 Å²	60.9	14%	0.143	30%	0.295	C	S	.	.			trans	-69	146	174.8	27.2	-29.6	0	0	0	110.2	A363 G364 W365 H375 K376	A363-P373 HydrophobicContact CB-CB 3.96Å; A363-P373 HydrophobicContact CB-CG 4.25Å; G364-P373 CarbonylContact O-C 3.52Å; G364-P373 WeakPolarHBondContact O-CA 3.29Å; G364-P373 VanDerWaalsContact O-CB 3.28Å; G364-P373 WeakPolarHBondContact O-CB 2.79Å; W365-P373 HydrophobicContact CD2-CB 3.71Å; W365-P373 HydrophobicContact CE3-CB 3.6Å; W365-P373 HydrophobicContact CE3-CG 4.29Å; W365-P373 HydrophobicContact CG-CB 4.39Å; W365-P373 HydrophobicContact CH2-CB 3.97Å; W365-P373 HydrophobicContact CH2-CG 3.86Å; W365-P373 HydrophobicContact CZ2-CB 4.05Å; W365-P373 HydrophobicContact CZ2-CG 4.2Å; W365-P373 HydrophobicContact CZ3-CB 3.75Å; W365-P373 VanDerWaalsContact CZ3-CD 3.44Å; W365-P373 HydrophobicContact CZ3-CG 3.91Å; P373-H375 PolarHBondContact O-N 3.16Å; P373-K376 HydrophobicContact CB-CG 4.39Å; P373-K376 HydrophobicContact CG-CD 3.9Å; P373-K376 HydrophobicContact CG-CG 3.56Å
374	V	90.4	Very high	92.4	Very high	56 Å²	56	63.7 Å²	63.7	34%	0.339	31%	0.305	S	S	.	.	S	Bend	trans	-59.6	-39.9	175.2	-171.6	0	0	0	0	109.9	V351 G364 D366	V351-V374 HydrophobicContact CG2-CB 4.16Å; V351-V374 HydrophobicContact CG2-CG1 4.41Å; V351-V374 HydrophobicContact CG2-CG2 4.49Å; G364-V374 PolarHBondContact O-N 3.36Å; D366-V374 HydrophobicContact CB-CG2 3.67Å
375	H	91.2	Very high	92.6	Very high	41 Å²	41	66.5 Å²	66.5	19%	0.19	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	148.7	179.3	-61.1	-62.3	0	0	0	112.5	A363 G364 P373 N411 F413	A363-H375 VanDerWaalsContact CA-O 3.28Å; A363-H375 WeakPolarHBondContact CA-O 3.05Å; G364-H375 PolarHBondContact N-O 3.01Å; G364-H375 PolarHBondContact O-N 2.98Å; P373-H375 PolarHBondContact O-N 3.16Å; H375-N411 PolarHBondContact CE1-O 2.92Å; H375-N411 PolarHBondContact NE2-O 2.69Å; H375-F413 HydrophobicContact CB-CB 3.39Å; H375-F413 HydrophobicContact CB-CD1 4.27Å; H375-F413 HydrophobicContact CB-CD2 4Å; H375-F413 HydrophobicContact CB-CG 3.62Å; H375-F413 VanDerWaalsContact CG-CB 3.44Å
376	K	92.5	Very high	92.8	Very high	121 Å²	121	67.1 Å²	67.1	53%	0.526	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	135.1	168.7	-69.3	-169.9	179.9	-177.7	0	109.3	Y361 I362 A363 P373	Y361-K376 HydrophobicContact CD1-CB 3.96Å; Y361-K376 HydrophobicContact CD1-CD 4.43Å; Y361-K376 HydrophobicContact CE1-CB 4.41Å; I362-K376 CarbonylContact O-C 3.57Å; I362-K376 WeakPolarHBondContact O-CA 2.9Å; A363-K376 HydrophobicContact CB-CG 4.41Å; P373-K376 HydrophobicContact CB-CG 4.39Å; P373-K376 HydrophobicContact CG-CD 3.9Å; P373-K376 HydrophobicContact CG-CG 3.56Å
377	H	95.9	Very high	93.1	Very high	57 Å²	57	66.5 Å²	66.5	26%	0.264	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.4	172.2	-171.3	92.7	0	0	0	109.9	Y361 I362 F406 F413	Y361-H377 WeakPolarHBondContact CA-O 3.48Å; I362-H377 PolarHBondContact N-O 3.09Å; I362-H377 PolarHBondContact O-N 3.43Å; H377-F406 HydrophobicContact CB-CE1 3.98Å; H377-F406 HydrophobicContact CB-CZ 4.49Å; H377-F406 AromaticContact CD2-CE1 3.66Å; H377-F406 AromaticContact CD2-CZ 3.55Å; H377-F406 AromaticContact CG-CE1 3.59Å; H377-F406 AromaticContact CG-CZ 3.97Å; H377-F406 AromaticContact ND1-CE1 3.92Å; H377-F406 AromaticContact NE2-CZ 3.93Å; H377-F413 HydrophobicContact CB-CD1 3.99Å; H377-F413 HydrophobicContact CB-CE1 4.18Å
378	K	97.2	Very high	93.4	Very high	118 Å²	118	65 Å²	65	51%	0.513	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.5	-179.1	-168.1	-172.9	176.3	-174.9	0	110.2	Q360 Y361	Q360-K378 HydrophobicContact CB-CG 4.27Å; Y361-K378 HydrophobicContact CD1-CB 4.02Å; Y361-K378 HydrophobicContact CD2-CG 4.49Å; Y361-K378 HydrophobicContact CE1-CB 3.61Å; Y361-K378 HydrophobicContact CE1-CG 4.1Å; Y361-K378 HydrophobicContact CE2-CB 4.43Å; Y361-K378 HydrophobicContact CE2-CD 4.28Å; Y361-K378 HydrophobicContact CE2-CG 4.01Å
379	L	97.6	Very high	93.7	Very high	11 Å²	11	57.5 Å²	57.5	6%	0.058	28%	0.281	C	S	.	.			trans	-88.3	173.8	170.7	-60.3	-176.7	0	0	0	111.5	Q360 I362 P383 V396 E398 F406	Q360-L379 PolarHBondContact O-N 3.5Å; I362-L379 HydrophobicContact CD1-CD1 3.93Å; I362-L379 HydrophobicContact CD1-CD2 4.03Å; I362-L379 HydrophobicContact CD1-CG 4Å; I362-L379 HydrophobicContact CG1-CD1 4.17Å; I362-L379 HydrophobicContact CG1-CG 4.35Å; L379-P383 HydrophobicContact CD1-CB 4.01Å; L379-P383 HydrophobicContact CD1-CG 4.42Å; L379-V396 HydrophobicContact CD1-CG1 4.25Å; L379-E398 HydrophobicContact CD1-CB 4.17Å; L379-E398 HydrophobicContact CD1-CG 4.36Å; L379-F406 HydrophobicContact CD2-CZ 4.27Å
380	S	97.3	Very high	93.7	Very high	68 Å²	68	54.6 Å²	54.6	48%	0.476	27%	0.266	S	S	.	.	S	Bend	trans	-74.3	-31.3	177.2	71.5	0	0	0	0	112.7	Q360 E398 R402	Q360-S380 PolarHBondContact NE2-O 3.13Å; S380-E398 WeakPolarHBondContact CA-OE1 3.32Å; S380-E398 WeakPolarHBondContact CB-OE1 3.44Å; S380-E398 PolarHBondContact N-OE1 3.34Å; S380-E398 VanDerWaalsContact OG-CD 3.31Å; S380-E398 PolarHBondContact OG-OE1 2.84Å; S380-E398 PolarHBondContact OG-OE2 3.22Å; S380-R402 PolarHBondContact OG-NH1 2.74Å
381	R	97.2	Very high	93.6	Very high	128 Å²	128	56.7 Å²	56.7	48%	0.483	27%	0.274	S	S	.	.	S	Bend	trans	-126.7	-134.8	173.9	-69.9	179.9	162.3	-171.8	-0.7	107.2	Q360 E398 P399	Q360-R381 WeakPolarHBondContact CA-O 3.39Å; Q360-R381 WeakPolarHBondContact CB-O 3.44Å; Q360-R381 WeakPolarHBondContact CG-O 3.44Å; R381-E398 HydrophobicContact CB-CG 4.1Å; R381-E398 PolarHBondContact N-OE1 3.07Å; R381-P399 WeakPolarHBondContact CD-O 3.41Å; R381-P399 PolarHBondContact NH1-O 2.88Å
382	Y	97.9	Very high	93.7	Very high	89 Å²	89	53.4 Å²	53.4	35%	0.349	25%	0.248	S	C	.	.			trans	-125.1	146.6	-176	54.4	-92.2	0	0	0	111	L234 S357 R384 P399	L234-Y382 HydrophobicContact CD1-CD2 3.36Å; L234-Y382 HydrophobicContact CD1-CE2 3.95Å; L234-Y382 HydrophobicContact CD1-CG 4.02Å; S357-Y382 WeakPolarHBondContact O-CB 3.26Å; Y382-R384 HydrophobicContact CE2-CB 4.4Å; Y382-R384 PolarHBondContact O-N 2.82Å; Y382-P399 HydrophobicContact CE2-CG 3.97Å; Y382-P399 WeakPolarHBondContact O-CD 3.47Å
383	P	98.4	Very high	93.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.216	C	C	.	.			trans	-68.1	124.3	170	30.3	-35.3	0	0	0	109.5	C235 S357 I362 L379 L386 V396	C235-P383 PolarHBondContact SG-O 2.83Å; S357-P383 WeakPolarHBondContact O-CD 3.34Å; I362-P383 HydrophobicContact CG1-CB 4.01Å; I362-P383 HydrophobicContact CG1-CG 3.91Å; L379-P383 HydrophobicContact CD1-CB 4.01Å; L379-P383 HydrophobicContact CD1-CG 4.42Å; P383-L386 HydrophobicContact CB-CD2 4.43Å; P383-V396 HydrophobicContact CB-CG1 3.63Å
384	R	98	Very high	94	Very high	59 Å²	59	45.5 Å²	45.5	22%	0.223	21%	0.209	C	C	.	.			trans	-96.2	-37.1	179.1	177.7	56.3	-173.6	-93.6	1.9	112.6	Y382 A397 P399 F428	Y382-R384 HydrophobicContact CE2-CB 4.4Å; Y382-R384 PolarHBondContact O-N 2.82Å; R384-A397 PolarHBondContact N-O 3.41Å; R384-P399 HydrophobicContact CB-CG 3.61Å; R384-P399 HydrophobicContact CG-CG 4.24Å; R384-F428 WeakPolarHBondContact CG-O 3.47Å
385	K	97.8	Very high	94.3	Very high	59 Å²	59	42.8 Å²	42.8	26%	0.257	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	143.6	175.9	-66.6	-66.4	-173.1	173.3	0	109.6	A397 G429 L431	K385-A397 HydrophobicContact CB-CB 4.24Å; K385-A397 PolarHBondContact O-N 2.95Å; K385-G429 WeakPolarHBondContact CE-O 3.41Å; K385-L431 HydrophobicContact CB-CB 3.75Å
386	L	97.3	Very high	94.7	Very high	16 Å²	16	40.9 Å²	40.9	8%	0.084	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146.2	173.2	-62.4	173.7	0	0	0	107.2	C235 D237 I354 P383 L394 W395 V396	C235-L386 HydrophobicContact CB-CD1 4.31Å; C235-L386 HydrophobicContact CB-CG 4.08Å; D237-L386 HydrophobicContact CB-CB 4.26Å; I354-L386 HydrophobicContact CG2-CD1 4.08Å; P383-L386 HydrophobicContact CB-CD2 4.43Å; L386-L394 HydrophobicContact CB-CD1 4.24Å; L386-L394 HydrophobicContact CD2-CD1 4.38Å; L386-L394 HydrophobicContact CD2-CD2 4.42Å; L386-W395 WeakPolarHBondContact CA-O 3.21Å; L386-V396 HydrophobicContact CD2-CB 3.97Å; L386-V396 HydrophobicContact CD2-CG1 3.62Å; L386-V396 HydrophobicContact CD2-CG2 3.45Å; L386-V396 VanDerWaalsContact CD2-CG2 3.45Å
387	S	96	Very high	94.9	Very high	5 Å²	5	35.1 Å²	35.1	4%	0.035	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	119.9	165.2	-171	0	0	0	0	108.7	D237 W395 A433	D237-S387 WeakPolarHBondContact OD2-CA 3.28Å; S387-W395 PolarHBondContact N-O 2.92Å; S387-W395 WeakPolarHBondContact O-CB 3.29Å; S387-W395 PolarHBondContact O-N 2.9Å; S387-A433 PolarHBondContact OG-N 2.73Å
388	L	93.3	Very high	95.1	Very high	9 Å²	9	32.5 Å²	32.5	5%	0.047	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	128.9	164.5	-71.7	164.9	0	0	0	108.5	D237 A238 I239 L244 I354 L394 I408	D237-L388 HydrophobicContact CB-CD1 4.08Å; D237-L388 HydrophobicContact CB-CG 4.22Å; D237-L388 WeakPolarHBondContact OD2-CB 3.49Å; D237-L388 PolarHBondContact OD2-N 3.2Å; A238-L388 VanDerWaalsContact O-CD1 3.27Å; A238-L388 WeakPolarHBondContact O-CD1 3.41Å; I239-L388 HydrophobicContact CG1-CD1 3.92Å; L244-L388 HydrophobicContact CD2-CB 3.92Å; I354-L388 HydrophobicContact CD1-CD2 3.93Å; L388-L394 HydrophobicContact CD2-CB 4.09Å; L388-L394 HydrophobicContact CD2-CD1 3.9Å; L388-L394 HydrophobicContact CG-CD1 4.09Å; L388-I408 HydrophobicContact CD2-CD1 3.55Å
389	L	91.5	Very high	95.1	Very high	9 Å²	9	27.3 Å²	27.3	5%	0.047	13%	0.125	C	C	.	.	S	Bend	trans	-83.1	-38.3	168.2	179.5	150.6	0	0	0	109.6	E393 A433 T434 L435 I438 P452	L389-E393 HydrophobicContact CB-CB 4.33Å; L389-E393 HydrophobicContact CB-CG 4.48Å; L389-E393 HydrophobicContact CD2-CB 4.47Å; L389-E393 PolarHBondContact N-O 3.3Å; L389-A433 HydrophobicContact CB-CB 3.89Å; L389-A433 HydrophobicContact CD1-CB 4.47Å; L389-T434 VanDerWaalsContact CD1-O 3.3Å; L389-T434 WeakPolarHBondContact CD1-O 3.29Å; L389-L435 HydrophobicContact CD2-CD2 3.81Å; L389-I438 HydrophobicContact CD1-CD1 4.03Å; L389-P452 HydrophobicContact CD1-CB 4.09Å
390	D	86.8	Confident	95	Very high	29 Å²	29	28.5 Å²	28.5	16%	0.155	13%	0.133	C	C	.	.	S	Bend	trans	-158.3	-170.1	169.9	58.8	30.2	0	0	0	109.6	K62 Y392 E393	K62-D390 WeakPolarHBondContact CE-OD2 3.28Å; K62-D390 IonicContact NZ-OD1 3.32Å; K62-D390 IonicContact NZ-OD2 3.07Å; K62-D390 PolarHBondContact NZ-OD2 3.05Å; D390-Y392 PolarHBondContact O-N 2.98Å; D390-Y392 WeakPolarHBondContact OD1-CA 3.4Å; D390-Y392 VanDerWaalsContact OD1-CB 3.32Å; D390-Y392 WeakPolarHBondContact OD1-CB 3.32Å; D390-Y392 PolarHBondContact OD1-N 2.8Å; D390-E393 PolarHBondContact OD1-N 3.46Å
391	K	84.3	Confident	95.1	Very high	57 Å²	57	26.3 Å²	26.3	25%	0.248	12%	0.116	C	C	.	.	S	Bend	trans	-64.8	-2.5	177.7	54.9	169	163.7	172.8	0	115.5	I239 L244 F348	I239-K391 HydrophobicContact CG2-CB 3.78Å; L244-K391 HydrophobicContact CD1-CB 4.36Å; F348-K391 HydrophobicContact CE1-CD 4.16Å
392	Y	86.9	Confident	95.1	Very high	19 Å²	19	24.1 Å²	24.1	8%	0.075	11%	0.108	C	C	.	.	S	Bend	trans	-124	-21.7	-172.7	-56	-43	0	0	0	113.4	L59 Q346 D390 I408 R409	L59-Y392 WeakPolarHBondContact CD1-O 3.35Å; Q346-Y392 PolarHBondContact OE1-OH 3.44Å; D390-Y392 PolarHBondContact O-N 2.98Å; D390-Y392 WeakPolarHBondContact OD1-CA 3.4Å; D390-Y392 VanDerWaalsContact OD1-CB 3.32Å; D390-Y392 WeakPolarHBondContact OD1-CB 3.32Å; D390-Y392 PolarHBondContact OD1-N 2.8Å; Y392-I408 VanDerWaalsContact O-CG1 3.23Å; Y392-I408 WeakPolarHBondContact O-CG1 3.14Å; Y392-I408 PolarHBondContact O-N 2.93Å; Y392-R409 VanDerWaalsContact CB-CG 3.48Å; Y392-R409 HydrophobicContact CD1-CG 3.54Å; Y392-R409 HydrophobicContact CE1-CG 4.46Å; Y392-R409 HydrophobicContact CG-CG 3.71Å
393	E	91.5	Very high	95.1	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.019	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	118.3	-171.3	-169.9	174.7	148.9	0	0	111.4	L59 K62 L389 D390 W395 V405	L59-E393 HydrophobicContact CD1-CB 3.7Å; L59-E393 HydrophobicContact CD1-CG 3.85Å; L59-E393 HydrophobicContact CD2-CG 4.46Å; L59-E393 HydrophobicContact CG-CB 4.36Å; L59-E393 HydrophobicContact CG-CG 4Å; K62-E393 IonicContact NZ-OE2 2.81Å; K62-E393 PolarHBondContact NZ-OE2 2.9Å; L389-E393 HydrophobicContact CB-CB 4.33Å; L389-E393 HydrophobicContact CB-CG 4.48Å; L389-E393 HydrophobicContact CD2-CB 4.47Å; L389-E393 PolarHBondContact N-O 3.3Å; D390-E393 PolarHBondContact OD1-N 3.46Å; E393-W395 WeakPolarHBondContact OE1-CZ2 3.24Å; E393-W395 PolarHBondContact OE1-NE1 3.28Å; E393-V405 HydrophobicContact CG-CG1 3.84Å
394	L	94.4	Very high	95.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.2	178.1	171.7	76.7	0	0	0	110.3	I354 I362 L386 L388 V396 F406 I408 F413	I354-L394 HydrophobicContact CD1-CB 4.46Å; I354-L394 HydrophobicContact CD1-CD1 4.19Å; I354-L394 HydrophobicContact CD1-CD2 3.94Å; I354-L394 HydrophobicContact CD1-CG 4.42Å; I354-L394 HydrophobicContact CG2-CD2 3.78Å; I362-L394 HydrophobicContact CG2-CD2 4.47Å; L386-L394 HydrophobicContact CB-CD1 4.24Å; L386-L394 HydrophobicContact CD2-CD1 4.38Å; L386-L394 HydrophobicContact CD2-CD2 4.42Å; L388-L394 HydrophobicContact CD2-CB 4.09Å; L388-L394 HydrophobicContact CD2-CD1 3.9Å; L388-L394 HydrophobicContact CG-CD1 4.09Å; L394-V396 HydrophobicContact CD2-CG2 3.68Å; L394-V396 HydrophobicContact CG-CG2 3.78Å; L394-F406 HydrophobicContact CB-CB 4.1Å; L394-F406 HydrophobicContact CD2-CB 4.31Å; L394-F406 PolarHBondContact N-O 3.22Å; L394-F406 PolarHBondContact O-N 3.43Å; L394-I408 HydrophobicContact CB-CD1 4.46Å; L394-I408 HydrophobicContact CB-CG2 4.11Å; L394-F413 HydrophobicContact CD2-CZ 4.03Å
395	W	97.5	Very high	95	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.1	173.4	-70.6	70.1	0	0	0	110.4	L386 S387 E393 I403 H404 V405 L431 A433 I438 L456	L386-W395 WeakPolarHBondContact CA-O 3.21Å; S387-W395 PolarHBondContact N-O 2.92Å; S387-W395 WeakPolarHBondContact O-CB 3.29Å; S387-W395 PolarHBondContact O-N 2.9Å; E393-W395 WeakPolarHBondContact OE1-CZ2 3.24Å; E393-W395 PolarHBondContact OE1-NE1 3.28Å; W395-I403 HydrophobicContact CE3-CG2 3.45Å; W395-I403 VanDerWaalsContact CE3-CG2 3.45Å; W395-I403 HydrophobicContact CZ3-CG2 3.82Å; W395-H404 WeakPolarHBondContact CA-O 3.43Å; W395-V405 HydrophobicContact CD2-CG2 3.95Å; W395-V405 HydrophobicContact CE3-CG2 3.83Å; W395-V405 HydrophobicContact CH2-CG2 3.54Å; W395-V405 HydrophobicContact CZ2-CG1 4.35Å; W395-V405 HydrophobicContact CZ2-CG2 3.67Å; W395-V405 HydrophobicContact CZ3-CG2 3.62Å; W395-L431 HydrophobicContact CB-CD2 4.14Å; W395-A433 HydrophobicContact CB-CB 4.07Å; W395-A433 HydrophobicContact CG-CB 3.85Å; W395-I438 HydrophobicContact CD2-CD1 3.69Å; W395-I438 HydrophobicContact CD2-CG1 4.16Å; W395-I438 HydrophobicContact CD2-CG2 4.46Å; W395-I438 HydrophobicContact CE3-CD1 4.06Å; W395-I438 HydrophobicContact CE3-CG1 4.02Å; W395-I438 HydrophobicContact CE3-CG2 3.95Å; W395-I438 HydrophobicContact CG-CD1 4.21Å; W395-I438 HydrophobicContact CH2-CD1 4.15Å; W395-I438 HydrophobicContact CH2-CG1 3.79Å; W395-I438 HydrophobicContact CZ2-CD1 3.76Å; W395-I438 HydrophobicContact CZ2-CG1 3.91Å; W395-I438 HydrophobicContact CZ3-CD1 4.29Å; W395-I438 HydrophobicContact CZ3-CG1 3.85Å; W395-I438 HydrophobicContact CZ3-CG2 4.25Å; W395-L456 HydrophobicContact CH2-CD1 3.78Å; W395-L456 HydrophobicContact CZ3-CD1 3.67Å
396	V	98.6	Very high	94.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.9	-173.9	-174.9	0	0	0	0	111.3	I362 L379 P383 L386 L394 I403 H404 F406	I362-V396 HydrophobicContact CD1-CB 4.36Å; I362-V396 HydrophobicContact CD1-CG1 3.92Å; I362-V396 HydrophobicContact CD1-CG2 3.99Å; I362-V396 HydrophobicContact CG1-CG1 4.38Å; L379-V396 HydrophobicContact CD1-CG1 4.25Å; P383-V396 HydrophobicContact CB-CG1 3.63Å; L386-V396 HydrophobicContact CD2-CB 3.97Å; L386-V396 HydrophobicContact CD2-CG1 3.62Å; L386-V396 HydrophobicContact CD2-CG2 3.45Å; L386-V396 VanDerWaalsContact CD2-CG2 3.45Å; L394-V396 HydrophobicContact CD2-CG2 3.68Å; L394-V396 HydrophobicContact CG-CG2 3.78Å; V396-I403 CarbonylContact O-C 3.32Å; V396-I403 WeakPolarHBondContact O-CA 3.02Å; V396-H404 HydrophobicContact CB-CB 4.27Å; V396-H404 PolarHBondContact N-O 2.69Å; V396-H404 PolarHBondContact O-N 3.33Å; V396-F406 HydrophobicContact CB-CD2 4.43Å; V396-F406 HydrophobicContact CB-CE2 4.2Å; V396-F406 HydrophobicContact CG2-CD2 3.66Å; V396-F406 HydrophobicContact CG2-CE2 3.77Å
397	A	98.6	Very high	94.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.5	175.2	0	0	0	0	0	111.3	R384 K385 R402 F428 L431	R384-A397 PolarHBondContact N-O 3.41Å; K385-A397 HydrophobicContact CB-CB 4.24Å; K385-A397 PolarHBondContact O-N 2.95Å; A397-R402 CarbonylContact C-O 3.59Å; A397-R402 WeakPolarHBondContact CA-O 3.22Å; A397-F428 HydrophobicContact CB-CB 4.03Å; A397-F428 HydrophobicContact CB-CD1 3.86Å; A397-F428 HydrophobicContact CB-CD2 3.7Å; A397-F428 HydrophobicContact CB-CE1 4.24Å; A397-F428 HydrophobicContact CB-CE2 4.08Å; A397-F428 HydrophobicContact CB-CG 3.59Å; A397-F428 HydrophobicContact CB-CZ 4.34Å; A397-L431 HydrophobicContact CB-CB 4.31Å; A397-L431 HydrophobicContact CB-CD2 3.95Å
398	E	98.5	Very high	94.3	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.009	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.4	173.3	178.8	-171.2	-146.4	0	0	110	L379 S380 R381 N401 R402 H404 F428	L379-E398 HydrophobicContact CD1-CB 4.17Å; L379-E398 HydrophobicContact CD1-CG 4.36Å; S380-E398 WeakPolarHBondContact CA-OE1 3.32Å; S380-E398 WeakPolarHBondContact CB-OE1 3.44Å; S380-E398 PolarHBondContact N-OE1 3.34Å; S380-E398 VanDerWaalsContact OG-CD 3.31Å; S380-E398 PolarHBondContact OG-OE1 2.84Å; S380-E398 PolarHBondContact OG-OE2 3.22Å; R381-E398 HydrophobicContact CB-CG 4.1Å; R381-E398 PolarHBondContact N-OE1 3.07Å; E398-N401 PolarHBondContact O-N 3.27Å; E398-R402 HydrophobicContact CB-CB 4.01Å; E398-R402 PolarHBondContact N-O 2.82Å; E398-R402 PolarHBondContact O-N 3.42Å; E398-R402 WeakPolarHBondContact OE2-CD 2.86Å; E398-R402 IonicContact OE2-NH1 3.27Å; E398-R402 PolarHBondContact OE2-NH1 2.73Å; E398-H404 VanDerWaalsContact CB-NE2 3.26Å; E398-H404 WeakPolarHBondContact CB-NE2 3.48Å; E398-H404 IonicContact OE2-CE1 3.19Å; E398-H404 PolarHBondContact OE2-CE1 3.13Å; E398-H404 IonicContact OE2-NE2 2.95Å; E398-H404 PolarHBondContact OE2-NE2 2.69Å; E398-H404 VanDerWaalsContact OE2-NE2 3.07Å; E398-F428 WeakPolarHBondContact O-CE2 3.47Å
399	P	97.8	Very high	93.9	Very high	10 Å²	10	14.6 Å²	14.6	7%	0.065	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	143	177.3	-25.2	36.3	0	0	0	113.4	R381 Y382 R384	R381-P399 WeakPolarHBondContact CD-O 3.41Å; R381-P399 PolarHBondContact NH1-O 2.88Å; Y382-P399 HydrophobicContact CE2-CG 3.97Å; Y382-P399 WeakPolarHBondContact O-CD 3.47Å; R384-P399 HydrophobicContact CB-CG 3.61Å; R384-P399 HydrophobicContact CG-CG 4.24Å
400	P	96.4	Very high	93	Very high	35 Å²	35	19.5 Å²	19.5	23%	0.227	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.1	-17.5	11.4	33.1	-27.2	0	0	0	113.9	G427	P400-G427 VanDerWaalsContact O-CA 3.24Å; P400-G427 WeakPolarHBondContact O-CA 3.48Å; P400-G427 PolarHBondContact O-N 3.28Å
401	N	97.6	Very high	92.2	Very high	22 Å²	22	21.1 Å²	21.1	12%	0.118	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-154.8	16.1	-161.3	66.9	-21.8	0	0	0	115.3	E398 Q420 L421 W424	E398-N401 PolarHBondContact O-N 3.27Å; N401-Q420 VanDerWaalsContact ND2-CG 3.31Å; N401-Q420 WeakPolarHBondContact ND2-CG 3.22Å; N401-Q420 PolarHBondContact ND2-NE2 3.28Å; N401-L421 HydrophobicContact CB-CB 4.36Å; N401-L421 WeakPolarHBondContact CB-O 3.29Å; N401-L421 PolarHBondContact ND2-O 3.25Å; N401-L421 PolarHBondContact O-N 3.2Å; N401-W424 HydrophobicContact CB-CB 3.56Å; N401-W424 WeakPolarHBondContact CB-O 3.08Å
402	R	98.4	Very high	91.8	Very high	83 Å²	83	22.3 Å²	22.3	31%	0.313	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.8	-178.6	-74.8	173.5	177.8	177.2	1.1	110.9	S380 A397 E398 T418 N419	S380-R402 PolarHBondContact OG-NH1 2.74Å; A397-R402 CarbonylContact C-O 3.59Å; A397-R402 WeakPolarHBondContact CA-O 3.22Å; E398-R402 HydrophobicContact CB-CB 4.01Å; E398-R402 PolarHBondContact N-O 2.82Å; E398-R402 PolarHBondContact O-N 3.42Å; E398-R402 WeakPolarHBondContact OE2-CD 2.86Å; E398-R402 IonicContact OE2-NH1 3.27Å; E398-R402 PolarHBondContact OE2-NH1 2.73Å; R402-T418 HydrophobicContact CB-CG2 4.3Å; R402-T418 HydrophobicContact CG-CG2 4.19Å; R402-N419 CarbonylContact C-O 3.55Å; R402-N419 VanDerWaalsContact CA-O 3.3Å; R402-N419 WeakPolarHBondContact CA-O 3.49Å
403	I	98.4	Very high	91.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.8	169.4	-63.4	-176.3	0	0	0	108	W395 V396 N419 L421 F428 L431 A440 L456	W395-I403 HydrophobicContact CE3-CG2 3.45Å; W395-I403 VanDerWaalsContact CE3-CG2 3.45Å; W395-I403 HydrophobicContact CZ3-CG2 3.82Å; V396-I403 CarbonylContact O-C 3.32Å; V396-I403 WeakPolarHBondContact O-CA 3.02Å; I403-N419 PolarHBondContact N-O 3.41Å; I403-N419 PolarHBondContact O-N 3.18Å; I403-L421 HydrophobicContact CD1-CD1 3.77Å; I403-L421 HydrophobicContact CD1-CG 4.49Å; I403-L421 HydrophobicContact CG1-CD1 4.14Å; I403-F428 HydrophobicContact CD1-CE1 3.89Å; I403-F428 HydrophobicContact CD1-CZ 4.39Å; I403-F428 HydrophobicContact CG1-CE1 3.77Å; I403-F428 HydrophobicContact CG1-CZ 3.79Å; I403-L431 HydrophobicContact CD1-CD1 3.98Å; I403-A440 HydrophobicContact CD1-CB 4.35Å; I403-L456 HydrophobicContact CD1-CD2 4.15Å
404	H	97.7	Very high	91.5	Very high	9 Å²	9	25.8 Å²	25.8	4%	0.042	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	146.5	179.2	-50.5	-87	0	0	0	110.7	W395 V396 E398 F406 Y417 T418	W395-H404 WeakPolarHBondContact CA-O 3.43Å; V396-H404 HydrophobicContact CB-CB 4.27Å; V396-H404 PolarHBondContact N-O 2.69Å; V396-H404 PolarHBondContact O-N 3.33Å; E398-H404 VanDerWaalsContact CB-NE2 3.26Å; E398-H404 WeakPolarHBondContact CB-NE2 3.48Å; E398-H404 IonicContact OE2-CE1 3.19Å; E398-H404 PolarHBondContact OE2-CE1 3.13Å; E398-H404 IonicContact OE2-NE2 2.95Å; E398-H404 PolarHBondContact OE2-NE2 2.69Å; E398-H404 VanDerWaalsContact OE2-NE2 3.07Å; H404-F406 HydrophobicContact CB-CD2 4.03Å; H404-F406 HydrophobicContact CB-CE2 3.51Å; H404-F406 HydrophobicContact CB-CZ 4.47Å; H404-Y417 CarbonylContact C-O 3.59Å; H404-Y417 WeakPolarHBondContact CA-O 3.35Å; H404-T418 VanDerWaalsContact CE1-CG2 3.5Å; H404-T418 WeakPolarHBondContact CE1-CG2 3.47Å; H404-T418 WeakPolarHBondContact ND1-CG2 3.33Å; H404-T418 PolarHBondContact ND1-OG1 3.1Å
405	V	96	Very high	91.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.4	171.6	-170.9	0	0	0	0	108.5	L59 E393 W395 V416 Y417	L59-V405 HydrophobicContact CD2-CG1 4.04Å; E393-V405 HydrophobicContact CG-CG1 3.84Å; W395-V405 HydrophobicContact CD2-CG2 3.95Å; W395-V405 HydrophobicContact CE3-CG2 3.83Å; W395-V405 HydrophobicContact CH2-CG2 3.54Å; W395-V405 HydrophobicContact CZ2-CG1 4.35Å; W395-V405 HydrophobicContact CZ2-CG2 3.67Å; W395-V405 HydrophobicContact CZ3-CG2 3.62Å; V405-V416 PolarHBondContact O-N 2.99Å; V405-Y417 PolarHBondContact N-O 2.88Å; V405-Y417 PolarHBondContact O-N 3.01Å
406	F	94.5	Very high	91.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.6	-179.9	-76.3	-100	0	0	0	110.8	I362 H377 L379 L394 V396 H404 I408 F413 N414 C415	I362-F406 HydrophobicContact CD1-CD2 4.46Å; I362-F406 HydrophobicContact CD1-CE1 4.22Å; I362-F406 HydrophobicContact CD1-CE2 3.57Å; I362-F406 HydrophobicContact CD1-CZ 3.44Å; I362-F406 VanDerWaalsContact CD1-CZ 3.44Å; H377-F406 HydrophobicContact CB-CE1 3.98Å; H377-F406 HydrophobicContact CB-CZ 4.49Å; H377-F406 AromaticContact CD2-CE1 3.66Å; H377-F406 AromaticContact CD2-CZ 3.55Å; H377-F406 AromaticContact CG-CE1 3.59Å; H377-F406 AromaticContact CG-CZ 3.97Å; H377-F406 AromaticContact ND1-CE1 3.92Å; H377-F406 AromaticContact NE2-CZ 3.93Å; L379-F406 HydrophobicContact CD2-CZ 4.27Å; L394-F406 HydrophobicContact CB-CB 4.1Å; L394-F406 HydrophobicContact CD2-CB 4.31Å; L394-F406 PolarHBondContact N-O 3.22Å; L394-F406 PolarHBondContact O-N 3.43Å; V396-F406 HydrophobicContact CB-CD2 4.43Å; V396-F406 HydrophobicContact CB-CE2 4.2Å; V396-F406 HydrophobicContact CG2-CD2 3.66Å; V396-F406 HydrophobicContact CG2-CE2 3.77Å; H404-F406 HydrophobicContact CB-CD2 4.03Å; H404-F406 HydrophobicContact CB-CE2 3.51Å; H404-F406 HydrophobicContact CB-CZ 4.47Å; F406-I408 HydrophobicContact CB-CG2 4.27Å; F406-F413 HydrophobicContact CD1-CD1 4.04Å; F406-F413 HydrophobicContact CD1-CE1 4.01Å; F406-F413 HydrophobicContact CE1-CD1 4.25Å; F406-F413 HydrophobicContact CE1-CE1 4.15Å; F406-N414 VanDerWaalsContact CA-O 3.28Å; F406-N414 WeakPolarHBondContact CA-O 3.11Å; F406-C415 HydrophobicContact CD1-CB 4.04Å; F406-C415 HydrophobicContact CE1-CB 3.56Å; F406-C415 HydrophobicContact CE2-CB 4.21Å; F406-C415 HydrophobicContact CZ-CB 3.64Å
407	D	92.1	Very high	90.8	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.048	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	116.6	163.7	-171.9	-9.5	0	0	0	108.7	L59 R409 Q412 F413 N414 V416	L59-D407 HydrophobicContact CD1-CB 4.19Å; L59-D407 HydrophobicContact CD2-CB 4.02Å; D407-R409 VanDerWaalsContact CG-NE 3.33Å; D407-R409 WeakPolarHBondContact OD1-CB 3.34Å; D407-R409 WeakPolarHBondContact OD1-CG 3.37Å; D407-R409 IonicContact OD1-CZ 3.23Å; D407-R409 PolarHBondContact OD1-N 2.91Å; D407-R409 IonicContact OD1-NE 2.75Å; D407-R409 PolarHBondContact OD1-NE 3.26Å; D407-R409 IonicContact OD1-NH2 3.96Å; D407-R409 IonicContact OD2-CZ 3.69Å; D407-R409 VanDerWaalsContact OD2-CZ 3.27Å; D407-R409 IonicContact OD2-NE 2.69Å; D407-R409 PolarHBondContact OD2-NE 3.4Å; D407-R409 VanDerWaalsContact OD2-NE 3.12Å; D407-R409 IonicContact OD2-NH2 2.69Å; D407-R409 PolarHBondContact OD2-NH2 3.14Å; D407-Q412 CarbonylContact O-C 3.22Å; D407-F413 WeakPolarHBondContact O-CA 3.43Å; D407-N414 PolarHBondContact N-O 2.92Å; D407-N414 PolarHBondContact O-N 3.3Å; D407-N414 VanDerWaalsContact O-N 3.12Å; D407-V416 HydrophobicContact CB-CG2 3.6Å
408	I	89.3	Confident	90.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.			trans	-109	13.7	-178.8	60.6	166.8	0	0	0	112.8	I239 S349 I354 L388 Y392 L394 F406 Q412 F413	I239-I408 HydrophobicContact CD1-CD1 3.86Å; S349-I408 VanDerWaalsContact CB-O 3.24Å; S349-I408 WeakPolarHBondContact CB-O 3.28Å; I354-I408 HydrophobicContact CD1-CD1 3.86Å; I354-I408 HydrophobicContact CD1-CG2 4.31Å; L388-I408 HydrophobicContact CD2-CD1 3.55Å; Y392-I408 VanDerWaalsContact O-CG1 3.23Å; Y392-I408 WeakPolarHBondContact O-CG1 3.14Å; Y392-I408 PolarHBondContact O-N 2.93Å; L394-I408 HydrophobicContact CB-CD1 4.46Å; L394-I408 HydrophobicContact CB-CG2 4.11Å; F406-I408 HydrophobicContact CB-CG2 4.27Å; I408-Q412 CarbonylContact C-O 3.6Å; I408-Q412 VanDerWaalsContact CA-O 3.29Å; I408-Q412 WeakPolarHBondContact CA-O 3.47Å; I408-F413 HydrophobicContact CG2-CD2 3.78Å; I408-F413 HydrophobicContact CG2-CE2 3.74Å
409	R	85	Confident	90.5	Very high	19 Å²	19	37.2 Å²	37.2	7%	0.072	19%	0.187	C	C	.	.	S	Bend	trans	-74.8	158.1	179	-62.7	176.3	-67.2	176.7	2.4	112	P60 E61 K62 Y392 D407 N411 Q412	P60-R409 PolarHBondContact O-NH1 2.84Å; P60-R409 PolarHBondContact O-NH2 3.35Å; E61-R409 PolarHBondContact O-NH1 3.24Å; K62-R409 VanDerWaalsContact CA-NH1 3.27Å; Y392-R409 VanDerWaalsContact CB-CG 3.48Å; Y392-R409 HydrophobicContact CD1-CG 3.54Å; Y392-R409 HydrophobicContact CE1-CG 4.46Å; Y392-R409 HydrophobicContact CG-CG 3.71Å; D407-R409 VanDerWaalsContact CG-NE 3.33Å; D407-R409 WeakPolarHBondContact OD1-CB 3.34Å; D407-R409 WeakPolarHBondContact OD1-CG 3.37Å; D407-R409 IonicContact OD1-CZ 3.23Å; D407-R409 PolarHBondContact OD1-N 2.91Å; D407-R409 IonicContact OD1-NE 2.75Å; D407-R409 PolarHBondContact OD1-NE 3.26Å; D407-R409 IonicContact OD1-NH2 3.96Å; D407-R409 IonicContact OD2-CZ 3.69Å; D407-R409 VanDerWaalsContact OD2-CZ 3.27Å; D407-R409 IonicContact OD2-NE 2.69Å; D407-R409 PolarHBondContact OD2-NE 3.4Å; D407-R409 VanDerWaalsContact OD2-NE 3.12Å; D407-R409 IonicContact OD2-NH2 2.69Å; D407-R409 PolarHBondContact OD2-NH2 3.14Å; R409-N411 VanDerWaalsContact C-N 3.26Å; R409-N411 PolarHBondContact O-N 3.45Å; R409-N411 VanDerWaalsContact O-N 3.1Å; R409-Q412 WeakPolarHBondContact O-CA 3.48Å; R409-Q412 WeakPolarHBondContact O-CB 3.45Å; R409-Q412 WeakPolarHBondContact O-CG 3.47Å; R409-Q412 PolarHBondContact O-N 3.05Å
410	K	73	Confident	90.4	Very high	112 Å²	112	43 Å²	43	49%	0.487	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	36	165.9	-54	-178.7	179.3	173	0	114.9	S347 Q412	S347-K410 PolarHBondContact O-N 3.46Å; K410-Q412 PolarHBondContact O-N 3.46Å
411	N	70.1	Confident	90.4	Very high	62 Å²	62	41.9 Å²	41.9	33%	0.332	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	36.2	-171	-57.9	-47.6	0	0	0	112.9	S349 N350 H375 R409	S349-N411 WeakPolarHBondContact CA-OD1 3.34Å; S349-N411 PolarHBondContact OG-OD1 3.29Å; N350-N411 PolarHBondContact N-OD1 3.01Å; H375-N411 PolarHBondContact CE1-O 2.92Å; H375-N411 PolarHBondContact NE2-O 2.69Å; R409-N411 VanDerWaalsContact C-N 3.26Å; R409-N411 PolarHBondContact O-N 3.45Å; R409-N411 VanDerWaalsContact O-N 3.1Å
412	Q	74.7	Confident	90.1	Very high	83 Å²	83	46.3 Å²	46.3	39%	0.388	24%	0.238	S	C	.	.			trans	-98.9	154.8	163.9	-59.5	-172.9	-11.9	0	0	108.4	D407 I408 R409 K410	D407-Q412 CarbonylContact O-C 3.22Å; I408-Q412 CarbonylContact C-O 3.6Å; I408-Q412 VanDerWaalsContact CA-O 3.29Å; I408-Q412 WeakPolarHBondContact CA-O 3.47Å; R409-Q412 WeakPolarHBondContact O-CA 3.48Å; R409-Q412 WeakPolarHBondContact O-CB 3.45Å; R409-Q412 WeakPolarHBondContact O-CG 3.47Å; R409-Q412 PolarHBondContact O-N 3.05Å; K410-Q412 PolarHBondContact O-N 3.46Å
413	F	84.7	Confident	89.7	Confident	9 Å²	9	45.3 Å²	45.3	4%	0.039	25%	0.254	C	S	.	.			trans	-145.8	56.9	174.9	-155.7	-87.7	0	0	0	108.6	I354 I362 H375 H377 L394 F406 D407 I408	I354-F413 HydrophobicContact CD1-CE2 4.14Å; I354-F413 HydrophobicContact CG1-CE2 4.34Å; I354-F413 HydrophobicContact CG2-CE2 4.23Å; I354-F413 HydrophobicContact CG2-CZ 3.89Å; I362-F413 HydrophobicContact CB-CE1 4.02Å; I362-F413 HydrophobicContact CB-CZ 4.37Å; I362-F413 HydrophobicContact CG2-CE1 3.66Å; I362-F413 HydrophobicContact CG2-CZ 3.51Å; H375-F413 HydrophobicContact CB-CB 3.39Å; H375-F413 HydrophobicContact CB-CD1 4.27Å; H375-F413 HydrophobicContact CB-CD2 4Å; H375-F413 HydrophobicContact CB-CG 3.62Å; H375-F413 VanDerWaalsContact CG-CB 3.44Å; H377-F413 HydrophobicContact CB-CD1 3.99Å; H377-F413 HydrophobicContact CB-CE1 4.18Å; L394-F413 HydrophobicContact CD2-CZ 4.03Å; F406-F413 HydrophobicContact CD1-CD1 4.04Å; F406-F413 HydrophobicContact CD1-CE1 4.01Å; F406-F413 HydrophobicContact CE1-CD1 4.25Å; F406-F413 HydrophobicContact CE1-CE1 4.15Å; D407-F413 WeakPolarHBondContact O-CA 3.43Å; I408-F413 HydrophobicContact CG2-CD2 3.78Å; I408-F413 HydrophobicContact CG2-CE2 3.74Å
414	N	88.8	Confident	89.5	Confident	86 Å²	86	45.7 Å²	45.7	46%	0.46	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.7	-167.4	-66.4	-26.5	0	0	0	109.8	F406 D407 V416	F406-N414 VanDerWaalsContact CA-O 3.28Å; F406-N414 WeakPolarHBondContact CA-O 3.11Å; D407-N414 PolarHBondContact N-O 2.92Å; D407-N414 PolarHBondContact O-N 3.3Å; D407-N414 VanDerWaalsContact O-N 3.12Å; N414-V416 WeakPolarHBondContact O-CG2 2.96Å; N414-V416 PolarHBondContact O-N 3.1Å; N414-V416 VanDerWaalsContact O-N 3.12Å
415	C	93	Very high	89.3	Confident	38 Å²	38	50.5 Å²	50.5	26%	0.257	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	108.2	166.6	-174.6	0	0	0	0	107.7	F406 Y417	F406-C415 HydrophobicContact CD1-CB 4.04Å; F406-C415 HydrophobicContact CE1-CB 3.56Å; F406-C415 HydrophobicContact CE2-CB 4.21Å; F406-C415 HydrophobicContact CZ-CB 3.64Å; C415-Y417 PolarHBondContact SG-O 3.44Å
416	V	91.1	Very high	89.2	Confident	47 Å²	47	58.4 Å²	58.4	29%	0.285	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-38.9	-178.5	-163.7	0	0	0	0	109.9	L59 V405 D407 N414	L59-V416 HydrophobicContact CD2-CB 4.3Å; L59-V416 HydrophobicContact CD2-CG2 3.77Å; V405-V416 PolarHBondContact O-N 2.99Å; D407-V416 HydrophobicContact CB-CG2 3.6Å; N414-V416 WeakPolarHBondContact O-CG2 2.96Å; N414-V416 PolarHBondContact O-N 3.1Å; N414-V416 VanDerWaalsContact O-N 3.12Å
417	Y	90.2	Very high	89.2	Confident	69 Å²	69	58.4 Å²	58.4	27%	0.271	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150	-178	-55.2	-69.3	0	0	0	112.4	C58 H404 V405 C415 N454	C58-Y417 VanDerWaalsContact O-CE2 3.25Å; C58-Y417 WeakPolarHBondContact O-CE2 3.38Å; H404-Y417 CarbonylContact C-O 3.59Å; H404-Y417 WeakPolarHBondContact CA-O 3.35Å; V405-Y417 PolarHBondContact N-O 2.88Å; V405-Y417 PolarHBondContact O-N 3.01Å; C415-Y417 PolarHBondContact SG-O 3.44Å; Y417-N454 WeakPolarHBondContact CD1-ND2 2.96Å; Y417-N454 HydrophobicContact CD2-CB 4.27Å; Y417-N454 WeakPolarHBondContact CE1-ND2 3.43Å; Y417-N454 HydrophobicContact CE2-CB 4.34Å; Y417-N454 WeakPolarHBondContact CE2-ND2 3.27Å
418	T	96.1	Very high	89.5	Confident	75 Å²	75	58 Å²	58	46%	0.46	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119.9	171.7	-62.6	0	0	0	0	108.8	R402 H404	R402-T418 HydrophobicContact CB-CG2 4.3Å; R402-T418 HydrophobicContact CG-CG2 4.19Å; H404-T418 VanDerWaalsContact CE1-CG2 3.5Å; H404-T418 WeakPolarHBondContact CE1-CG2 3.47Å; H404-T418 WeakPolarHBondContact ND1-CG2 3.33Å; H404-T418 PolarHBondContact ND1-OG1 3.1Å
419	N	95.9	Very high	89.9	Confident	14 Å²	14	58 Å²	58	8%	0.075	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133.8	175.4	-64	-81	0	0	0	109.2	R402 I403 L456	R402-N419 CarbonylContact C-O 3.55Å; R402-N419 VanDerWaalsContact CA-O 3.3Å; R402-N419 WeakPolarHBondContact CA-O 3.49Å; I403-N419 PolarHBondContact N-O 3.41Å; I403-N419 PolarHBondContact O-N 3.18Å; N419-L456 HydrophobicContact CB-CB 4Å; N419-L456 WeakPolarHBondContact OD1-CB 3.28Å; N419-L456 PolarHBondContact OD1-N 3.05Å
420	Q	95.8	Very high	90.5	Very high	130 Å²	130	57.1 Å²	57.1	61%	0.607	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	116.2	175.4	-173.4	163.7	-25.8	0	0	109.5	N401	N401-Q420 VanDerWaalsContact ND2-CG 3.31Å; N401-Q420 WeakPolarHBondContact ND2-CG 3.22Å; N401-Q420 PolarHBondContact ND2-NE2 3.28Å
421	L	95.2	Very high	91.7	Very high	12 Å²	12	52.3 Å²	52.3	6%	0.063	29%	0.286	C	S	.	.			trans	-83.6	125.7	-177.4	-52.4	-176.7	0	0	0	110.5	N401 I403 W424 F428 Y450 L456	N401-L421 HydrophobicContact CB-CB 4.36Å; N401-L421 WeakPolarHBondContact CB-O 3.29Å; N401-L421 PolarHBondContact ND2-O 3.25Å; N401-L421 PolarHBondContact O-N 3.2Å; I403-L421 HydrophobicContact CD1-CD1 3.77Å; I403-L421 HydrophobicContact CD1-CG 4.49Å; I403-L421 HydrophobicContact CG1-CD1 4.14Å; L421-W424 HydrophobicContact CB-CB 3.99Å; L421-W424 VanDerWaalsContact CB-CD1 3.49Å; L421-W424 HydrophobicContact CB-CD2 4.13Å; L421-W424 HydrophobicContact CB-CG 3.59Å; L421-W424 HydrophobicContact CD1-CD2 3.58Å; L421-W424 HydrophobicContact CD1-CE3 3.98Å; L421-W424 HydrophobicContact CD1-CG 3.98Å; L421-W424 HydrophobicContact CD1-CH2 4.43Å; L421-W424 HydrophobicContact CD1-CZ2 4.07Å; L421-W424 HydrophobicContact CD1-CZ3 4.39Å; L421-W424 HydrophobicContact CG-CG 4.45Å; L421-F428 HydrophobicContact CD1-CE1 3.83Å; L421-F428 HydrophobicContact CD1-CZ 4.01Å; L421-Y450 HydrophobicContact CD2-CE1 4.26Å; L421-L456 HydrophobicContact CD2-CD2 3.85Å
422	S	91.5	Very high	92.9	Very high	115 Å²	115	52.3 Å²	52.3	80%	0.804	28%	0.283	S	S	*	.	S	Bend	trans	-74.2	138.1	176.9	-64.2	0	0	0	0	110.8	W424	S422-W424 PolarHBondContact O-N 2.88Å
423	G	89.9	Confident	93.9	Very high	63 Å²	63	48.6 Å²	48.6	65%	0.649	27%	0.267	S	S	*	.	S	Bend	trans	82.6	-18.9	179.6	0	0	0	0	0	115.2	N425	G423-N425 PolarHBondContact O-N 3.48Å
424	W	95.4	Very high	94.3	Very high	7 Å²	7	48.4 Å²	48.4	3%	0.027	27%	0.266	C	S	.	.			trans	-72.3	114.9	177.7	-72.5	58.1	0	0	0	110.5	N401 L421 S422 F428 A440 G442 H444 S446 E448	N401-W424 HydrophobicContact CB-CB 3.56Å; N401-W424 WeakPolarHBondContact CB-O 3.08Å; L421-W424 HydrophobicContact CB-CB 3.99Å; L421-W424 VanDerWaalsContact CB-CD1 3.49Å; L421-W424 HydrophobicContact CB-CD2 4.13Å; L421-W424 HydrophobicContact CB-CG 3.59Å; L421-W424 HydrophobicContact CD1-CD2 3.58Å; L421-W424 HydrophobicContact CD1-CE3 3.98Å; L421-W424 HydrophobicContact CD1-CG 3.98Å; L421-W424 HydrophobicContact CD1-CH2 4.43Å; L421-W424 HydrophobicContact CD1-CZ2 4.07Å; L421-W424 HydrophobicContact CD1-CZ3 4.39Å; L421-W424 HydrophobicContact CG-CG 4.45Å; S422-W424 PolarHBondContact O-N 2.88Å; W424-F428 HydrophobicContact CD2-CE1 4.43Å; W424-F428 AromaticContact CE3-CD1 3.81Å; W424-F428 HydrophobicContact CE3-CD1 3.81Å; W424-F428 AromaticContact CE3-CE1 3.47Å; W424-F428 HydrophobicContact CE3-CE1 3.47Å; W424-F428 VanDerWaalsContact CE3-CE1 3.47Å; W424-F428 HydrophobicContact CE3-CG 4.5Å; W424-F428 AromaticContact CE3-CZ 3.93Å; W424-F428 HydrophobicContact CE3-CZ 3.93Å; W424-F428 HydrophobicContact CH2-CD1 4.22Å; W424-F428 HydrophobicContact CH2-CE1 4.17Å; W424-F428 AromaticContact CZ3-CD1 3.3Å; W424-F428 HydrophobicContact CZ3-CD1 3.3Å; W424-F428 AromaticContact CZ3-CE1 3.32Å; W424-F428 HydrophobicContact CZ3-CE1 3.32Å; W424-F428 HydrophobicContact CZ3-CG 4.17Å; W424-F428 HydrophobicContact CZ3-CZ 4.23Å; W424-A440 HydrophobicContact CH2-CB 3.57Å; W424-A440 HydrophobicContact CZ2-CB 4.22Å; W424-A440 HydrophobicContact CZ3-CB 4.3Å; W424-G442 VanDerWaalsContact CH2-N 3.32Å; W424-H444 AromaticContact CD2-CE1 3.45Å; W424-H444 VanDerWaalsContact CD2-CE1 3.45Å; W424-H444 AromaticContact CE2-CE1 3.89Å; W424-H444 AromaticContact CE3-CE1 3.7Å; W424-H444 AromaticContact CG-CE1 3.56Å; W424-H444 AromaticContact CG-NE2 3.98Å; W424-S446 WeakPolarHBondContact CZ2-OG 3.26Å; W424-E448 HydrophobicContact CZ2-CB 4.35Å; W424-E448 HydrophobicContact CZ2-CG 4.21Å; W424-E448 PolarHBondContact NE1-OE1 3.25Å
425	N	93.4	Very high	94.3	Very high	111 Å²	111	45.6 Å²	45.6	59%	0.594	25%	0.251	S	S	*	.			trans	-130.7	-9.5	-172.5	61.2	10.3	0	0	0	115.1	G423 H444	G423-N425 PolarHBondContact O-N 3.48Å; N425-H444 WeakPolarHBondContact OD1-CB 3.35Å
426	R	93.7	Very high	94.1	Very high	165 Å²	165	43.8 Å²	43.8	62%	0.623	24%	0.239	S	C	*	.	S	Bend	trans	-112.1	1.3	-179.2	-69.7	-170.7	-179.2	-136.4	-0.8	114.9	L443 H444	R426-L443 HydrophobicContact CB-CB 3.77Å; R426-L443 WeakPolarHBondContact CD-O 3.36Å; R426-L443 WeakPolarHBondContact O-CD1 3.24Å; R426-H444 HydrophobicContact CB-CB 4.12Å; R426-H444 HydrophobicContact CG-CB 4.13Å
427	G	95.2	Very high	94.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.			trans	82.5	-165.1	-174.5	0	0	0	0	0	113	P400 G442 L443	P400-G427 VanDerWaalsContact O-CA 3.24Å; P400-G427 WeakPolarHBondContact O-CA 3.48Å; P400-G427 PolarHBondContact O-N 3.28Å; G427-G442 WeakPolarHBondContact O-CA 2.96Å; G427-L443 PolarHBondContact O-N 2.98Å
428	F	98.3	Very high	94.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.1	-166.4	-59.4	-97.1	0	0	0	111	R384 A397 E398 I403 L421 W424 A441	R384-F428 WeakPolarHBondContact CG-O 3.47Å; A397-F428 HydrophobicContact CB-CB 4.03Å; A397-F428 HydrophobicContact CB-CD1 3.86Å; A397-F428 HydrophobicContact CB-CD2 3.7Å; A397-F428 HydrophobicContact CB-CE1 4.24Å; A397-F428 HydrophobicContact CB-CE2 4.08Å; A397-F428 HydrophobicContact CB-CG 3.59Å; A397-F428 HydrophobicContact CB-CZ 4.34Å; E398-F428 WeakPolarHBondContact O-CE2 3.47Å; I403-F428 HydrophobicContact CD1-CE1 3.89Å; I403-F428 HydrophobicContact CD1-CZ 4.39Å; I403-F428 HydrophobicContact CG1-CE1 3.77Å; I403-F428 HydrophobicContact CG1-CZ 3.79Å; L421-F428 HydrophobicContact CD1-CE1 3.83Å; L421-F428 HydrophobicContact CD1-CZ 4.01Å; W424-F428 HydrophobicContact CD2-CE1 4.43Å; W424-F428 AromaticContact CE3-CD1 3.81Å; W424-F428 HydrophobicContact CE3-CD1 3.81Å; W424-F428 AromaticContact CE3-CE1 3.47Å; W424-F428 HydrophobicContact CE3-CE1 3.47Å; W424-F428 VanDerWaalsContact CE3-CE1 3.47Å; W424-F428 HydrophobicContact CE3-CG 4.5Å; W424-F428 AromaticContact CE3-CZ 3.93Å; W424-F428 HydrophobicContact CE3-CZ 3.93Å; W424-F428 HydrophobicContact CH2-CD1 4.22Å; W424-F428 HydrophobicContact CH2-CE1 4.17Å; W424-F428 AromaticContact CZ3-CD1 3.3Å; W424-F428 HydrophobicContact CZ3-CD1 3.3Å; W424-F428 AromaticContact CZ3-CE1 3.32Å; W424-F428 HydrophobicContact CZ3-CE1 3.32Å; W424-F428 HydrophobicContact CZ3-CG 4.17Å; W424-F428 HydrophobicContact CZ3-CZ 4.23Å; F428-A441 WeakPolarHBondContact CA-O 3.28Å
429	G	96.5	Very high	94.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-29	165.6	0	0	0	0	0	112.1	K385 A441 P472 T473	K385-G429 WeakPolarHBondContact CE-O 3.41Å; G429-A441 PolarHBondContact N-O 3.29Å; G429-P472 VanDerWaalsContact CA-O 3.32Å; G429-P472 WeakPolarHBondContact CA-O 3.28Å; G429-T473 CarbonylContact O-C 3.54Å
430	G	97.1	Very high	94.7	Very high	2 Å²	2	34 Å²	34	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	152.1	-177.6	0	0	0	0	0	113.3	A440 A441	G430-A440 WeakPolarHBondContact O-CA 3.34Å; G430-A441 PolarHBondContact N-O 2.97Å; G430-A441 PolarHBondContact O-N 3.44Å
431	L	98.3	Very high	94.8	Very high	10 Å²	10	27.9 Å²	27.9	5%	0.052	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	128	173.5	-179.5	74.9	0	0	0	107	K385 W395 A397 I403 I438 F439 A440	K385-L431 HydrophobicContact CB-CB 3.75Å; W395-L431 HydrophobicContact CB-CD2 4.14Å; A397-L431 HydrophobicContact CB-CB 4.31Å; A397-L431 HydrophobicContact CB-CD2 3.95Å; I403-L431 HydrophobicContact CD1-CD1 3.98Å; L431-I438 HydrophobicContact CD1-CG2 3.98Å; L431-F439 CarbonylContact C-O 3.49Å; L431-F439 WeakPolarHBondContact CA-O 3.35Å; L431-A440 HydrophobicContact CD1-CB 4.39Å
432	K	97.1	Very high	94.9	Very high	62 Å²	62	27.3 Å²	27.3	27%	0.27	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	126.2	171.7	-164.5	81.7	172.2	-161.8	0	109.7	F439 L475 E476	K432-F439 HydrophobicContact CB-CB 4.48Å; K432-F439 PolarHBondContact N-O 3.37Å; K432-F439 PolarHBondContact O-N 2.91Å; K432-L475 HydrophobicContact CB-CD2 3.56Å; K432-E476 WeakPolarHBondContact CE-OE1 3.22Å; K432-E476 IonicContact NZ-OE1 3.52Å; K432-E476 PolarHBondContact NZ-OE1 3.43Å; K432-E476 IonicContact NZ-OE2 3.44Å
433	A	95.4	Very high	95.2	Very high	5 Å²	5	23 Å²	23	4%	0.041	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.6	179.5	0	0	0	0	0	110.2	S387 L389 W395 I438	S387-A433 PolarHBondContact OG-N 2.73Å; L389-A433 HydrophobicContact CB-CB 3.89Å; L389-A433 HydrophobicContact CD1-CB 4.47Å; W395-A433 HydrophobicContact CB-CB 4.07Å; W395-A433 HydrophobicContact CG-CB 3.85Å; A433-I438 HydrophobicContact CB-CD1 3.53Å
434	T	92.5	Very high	95.3	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.031	10%	0.102	C	C	.	.			trans	-135.9	169.9	174.1	75.5	0	0	0	0	109.9	L389 G436 C437 Y477	L389-T434 VanDerWaalsContact CD1-O 3.3Å; L389-T434 WeakPolarHBondContact CD1-O 3.29Å; T434-G436 PolarHBondContact O-N 2.84Å; T434-G436 PolarHBondContact OG1-N 3Å; T434-C437 PolarHBondContact N-O 2.9Å; T434-C437 PolarHBondContact OG1-N 3.11Å; T434-C437 PolarHBondContact OG1-O 2.79Å; T434-C437 VanDerWaalsContact OG1-O 3.11Å; T434-Y477 HydrophobicContact CG2-CD1 3.64Å; T434-Y477 HydrophobicContact CG2-CE1 3.77Å
435	L	89.1	Confident	95.2	Very high	28 Å²	28	21.9 Å²	21.9	15%	0.147	10%	0.102	C	C	.	.	S	Bend	trans	-60.2	-26.5	175.2	-68.4	178.1	0	0	0	113	E72 R73 V248 L389 P452	E72-L435 HydrophobicContact CB-CB 3.88Å; E72-L435 HydrophobicContact CG-CB 4.06Å; E72-L435 HydrophobicContact CG-CD1 4.46Å; R73-L435 WeakPolarHBondContact CG-O 3.26Å; V248-L435 HydrophobicContact CG2-CD1 3.82Å; L389-L435 HydrophobicContact CD2-CD2 3.81Å; L435-P452 WeakPolarHBondContact O-CG 3.34Å
436	G	89.1	Confident	95.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-93	-40.4	-177.6	0	0	0	0	0	114.3	E72 T434 P452	E72-G436 VanDerWaalsContact C-CA 3.46Å; E72-G436 WeakPolarHBondContact O-CA 3.5Å; T434-G436 PolarHBondContact O-N 2.84Å; T434-G436 PolarHBondContact OG1-N 3Å; G436-P452 WeakPolarHBondContact O-CD 3.38Å
437	C	93.3	Very high	95.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.			trans	-147	154.8	-171.6	-68.3	0	0	0	0	113	C76 T434 F439 Y450	C76-C437 HydrophobicContact CB-CB 4.31Å; C76-C437 WeakPolarHBondContact CB-SG 3.37Å; C76-C437 WeakPolarHBondContact SG-CB 3.39Å; C76-C437 PolarHBondContact SG-N 2.88Å; C76-C437 CovalentContact SG-SG 2.03Å; C76-C437 PolarHBondContact SG-SG 2.93Å; T434-C437 PolarHBondContact N-O 2.9Å; T434-C437 PolarHBondContact OG1-N 3.11Å; T434-C437 PolarHBondContact OG1-O 2.79Å; T434-C437 VanDerWaalsContact OG1-O 3.11Å; C437-F439 HydrophobicContact CB-CD2 4.11Å; C437-F439 HydrophobicContact CB-CE1 4.03Å; C437-F439 HydrophobicContact CB-CE2 3.55Å; C437-F439 HydrophobicContact CB-CZ 3.51Å; C437-Y450 CarbonylContact C-O 3.53Å; C437-Y450 WeakPolarHBondContact CA-O 3.26Å
438	I	96.5	Very high	95.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.8	159.5	-48	-59.9	0	0	0	107.7	L389 W395 L431 A433 Y450 P452 L456	L389-I438 HydrophobicContact CD1-CD1 4.03Å; W395-I438 HydrophobicContact CD2-CD1 3.69Å; W395-I438 HydrophobicContact CD2-CG1 4.16Å; W395-I438 HydrophobicContact CD2-CG2 4.46Å; W395-I438 HydrophobicContact CE3-CD1 4.06Å; W395-I438 HydrophobicContact CE3-CG1 4.02Å; W395-I438 HydrophobicContact CE3-CG2 3.95Å; W395-I438 HydrophobicContact CG-CD1 4.21Å; W395-I438 HydrophobicContact CH2-CD1 4.15Å; W395-I438 HydrophobicContact CH2-CG1 3.79Å; W395-I438 HydrophobicContact CZ2-CD1 3.76Å; W395-I438 HydrophobicContact CZ2-CG1 3.91Å; W395-I438 HydrophobicContact CZ3-CD1 4.29Å; W395-I438 HydrophobicContact CZ3-CG1 3.85Å; W395-I438 HydrophobicContact CZ3-CG2 4.25Å; L431-I438 HydrophobicContact CD1-CG2 3.98Å; A433-I438 HydrophobicContact CB-CD1 3.53Å; I438-Y450 PolarHBondContact N-O 3.38Å; I438-Y450 WeakPolarHBondContact O-CD2 3.06Å; I438-Y450 PolarHBondContact O-N 3.39Å; I438-P452 HydrophobicContact CD1-CB 3.9Å; I438-P452 HydrophobicContact CG1-CB 3.99Å; I438-L456 HydrophobicContact CB-CD1 4.27Å; I438-L456 HydrophobicContact CG1-CD1 4.11Å
439	F	97.8	Very high	95.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.6	175.5	-59.2	-77.5	0	0	0	110.2	F80 L431 K432 C437 E448 A449 L475 Y477 L482	F80-F439 HydrophobicContact CD1-CE1 4.35Å; F80-F439 AromaticContact CD2-CE1 3.88Å; F80-F439 HydrophobicContact CD2-CE1 3.88Å; F80-F439 AromaticContact CD2-CZ 3.74Å; F80-F439 HydrophobicContact CD2-CZ 3.74Å; F80-F439 HydrophobicContact CE2-CE1 4.11Å; F80-F439 AromaticContact CE2-CZ 3.69Å; F80-F439 HydrophobicContact CE2-CZ 3.69Å; F80-F439 HydrophobicContact CG-CE1 4.02Å; F80-F439 HydrophobicContact CG-CZ 4.35Å; F80-F439 HydrophobicContact CZ-CE1 4.45Å; F80-F439 HydrophobicContact CZ-CZ 4.26Å; L431-F439 CarbonylContact C-O 3.49Å; L431-F439 WeakPolarHBondContact CA-O 3.35Å; K432-F439 HydrophobicContact CB-CB 4.48Å; K432-F439 PolarHBondContact N-O 3.37Å; K432-F439 PolarHBondContact O-N 2.91Å; C437-F439 HydrophobicContact CB-CD2 4.11Å; C437-F439 HydrophobicContact CB-CE1 4.03Å; C437-F439 HydrophobicContact CB-CE2 3.55Å; C437-F439 HydrophobicContact CB-CZ 3.51Å; F439-E448 WeakPolarHBondContact CA-O 3.22Å; F439-A449 HydrophobicContact CD1-CB 3.76Å; F439-A449 HydrophobicContact CE1-CB 3.71Å; F439-L475 HydrophobicContact CB-CD1 4.17Å; F439-L475 HydrophobicContact CB-CD2 4.13Å; F439-Y477 HydrophobicContact CD2-CD1 4.26Å; F439-Y477 HydrophobicContact CD2-CD2 4.22Å; F439-Y477 AromaticContact CD2-CG 3.92Å; F439-Y477 HydrophobicContact CD2-CG 3.92Å; F439-Y477 AromaticContact CE2-CD1 3.76Å; F439-Y477 HydrophobicContact CE2-CD1 3.76Å; F439-Y477 AromaticContact CE2-CD2 3.59Å; F439-Y477 HydrophobicContact CE2-CD2 3.59Å; F439-Y477 AromaticContact CE2-CE1 3.94Å; F439-Y477 HydrophobicContact CE2-CE1 3.94Å; F439-Y477 AromaticContact CE2-CE2 3.76Å; F439-Y477 HydrophobicContact CE2-CE2 3.76Å; F439-Y477 AromaticContact CE2-CG 3.57Å; F439-Y477 HydrophobicContact CE2-CG 3.57Å; F439-Y477 AromaticContact CE2-CZ 3.92Å; F439-Y477 AromaticContact CZ-CD2 3.88Å; F439-Y477 HydrophobicContact CZ-CD2 3.88Å; F439-Y477 AromaticContact CZ-CE2 3.78Å; F439-Y477 HydrophobicContact CZ-CE2 3.78Å; F439-Y477 HydrophobicContact CZ-CG 4.33Å; F439-L482 HydrophobicContact CB-CD1 4.07Å; F439-L482 HydrophobicContact CD1-CD1 4.09Å; F439-L482 HydrophobicContact CD1-CD2 3.79Å; F439-L482 HydrophobicContact CD1-CG 4.49Å; F439-L482 HydrophobicContact CE1-CD2 4.15Å; F439-L482 HydrophobicContact CG-CD1 3.98Å; F439-L482 HydrophobicContact CG-CD2 4.49Å
440	A	98.3	Very high	95.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139	175.8	0	0	0	0	0	110.7	I403 W424 G430 L431 V447 E448 Y450	I403-A440 HydrophobicContact CD1-CB 4.35Å; W424-A440 HydrophobicContact CH2-CB 3.57Å; W424-A440 HydrophobicContact CZ2-CB 4.22Å; W424-A440 HydrophobicContact CZ3-CB 4.3Å; G430-A440 WeakPolarHBondContact O-CA 3.34Å; L431-A440 HydrophobicContact CD1-CB 4.39Å; A440-V447 WeakPolarHBondContact O-CA 3.37Å; A440-E448 PolarHBondContact N-O 3.18Å; A440-E448 PolarHBondContact O-N 2.89Å; A440-Y450 HydrophobicContact CB-CE2 4.24Å
441	A	98.1	Very high	95	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.2	172.1	0	0	0	0	0	109.7	F428 G429 G430 V447 P472 L475 V484	F428-A441 WeakPolarHBondContact CA-O 3.28Å; G429-A441 PolarHBondContact N-O 3.29Å; G430-A441 PolarHBondContact N-O 2.97Å; G430-A441 PolarHBondContact O-N 3.44Å; A441-V447 HydrophobicContact CB-CG2 4.33Å; A441-P472 HydrophobicContact CB-CB 3.79Å; A441-L475 HydrophobicContact CB-CB 4.28Å; A441-L475 HydrophobicContact CB-CD1 3.7Å; A441-V484 HydrophobicContact CB-CG1 4.46Å; A441-V484 HydrophobicContact CB-CG2 4.42Å
442	G	97.4	Very high	94.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	136.3	-177.5	0	0	0	0	0	111.7	W424 G427 H444 G445 S446 P472	W424-G442 VanDerWaalsContact CH2-N 3.32Å; G427-G442 WeakPolarHBondContact O-CA 2.96Å; G442-H444 PolarHBondContact O-N 3.13Å; G442-G445 PolarHBondContact O-N 2.95Å; G442-S446 PolarHBondContact N-O 2.88Å; G442-P472 VanDerWaalsContact O-CD 3.26Å; G442-P472 WeakPolarHBondContact O-CD 3.27Å; G442-P472 WeakPolarHBondContact O-CG 3.48Å
443	L	96.1	Very high	94.6	Very high	25 Å²	25	8.3 Å²	8.3	13%	0.131	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	2.9	178.6	-72	165.9	0	0	0	114.1	R426 G427 L471 P472 T473	R426-L443 HydrophobicContact CB-CB 3.77Å; R426-L443 WeakPolarHBondContact CD-O 3.36Å; R426-L443 WeakPolarHBondContact O-CD1 3.24Å; G427-L443 PolarHBondContact O-N 2.98Å; L443-L471 HydrophobicContact CD2-CB 4.44Å; L443-L471 WeakPolarHBondContact O-CD2 3.44Å; L443-P472 WeakPolarHBondContact CD2-O 3.27Å; L443-T473 HydrophobicContact CD2-CG2 4.33Å
444	H	92.6	Very high	94.2	Very high	46 Å²	46	9.6 Å²	9.6	21%	0.213	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-1.6	173.7	57.9	-72	0	0	0	113	W424 N425 R426 G442 S446	W424-H444 AromaticContact CD2-CE1 3.45Å; W424-H444 VanDerWaalsContact CD2-CE1 3.45Å; W424-H444 AromaticContact CE2-CE1 3.89Å; W424-H444 AromaticContact CE3-CE1 3.7Å; W424-H444 AromaticContact CG-CE1 3.56Å; W424-H444 AromaticContact CG-NE2 3.98Å; N425-H444 WeakPolarHBondContact OD1-CB 3.35Å; R426-H444 HydrophobicContact CB-CB 4.12Å; R426-H444 HydrophobicContact CG-CB 4.13Å; G442-H444 PolarHBondContact O-N 3.13Å; H444-S446 PolarHBondContact CE1-OG 3.1Å; H444-S446 WeakPolarHBondContact NE2-CB 3.42Å; H444-S446 PolarHBondContact NE2-OG 3.27Å
445	G	93.1	Very high	94.1	Very high	1 Å²	1	13 Å²	13	1%	0.01	7%	0.071	C	C	.	.	S	Bend	trans	110.9	-8.2	175.1	0	0	0	0	0	114.6	G442 K467 I468	G442-G445 PolarHBondContact O-N 2.95Å; G445-K467 CarbonylContact O-C 3.56Å; G445-K467 WeakPolarHBondContact O-CA 3.43Å; G445-I468 PolarHBondContact O-N 3.45Å
446	S	95	Very high	94.3	Very high	5 Å²	5	12.6 Å²	12.6	4%	0.035	7%	0.069	C	C	.	.			trans	-80	145.6	179.3	71.3	0	0	0	0	112.3	W424 G442 H444 A465	W424-S446 WeakPolarHBondContact CZ2-OG 3.26Å; G442-S446 PolarHBondContact N-O 2.88Å; H444-S446 PolarHBondContact CE1-OG 3.1Å; H444-S446 WeakPolarHBondContact NE2-CB 3.42Å; H444-S446 PolarHBondContact NE2-OG 3.27Å; S446-A465 CarbonylContact C-O 3.59Å; S446-A465 VanDerWaalsContact CA-O 3.28Å; S446-A465 WeakPolarHBondContact CA-O 3.46Å
447	V	96.1	Very high	94.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.5	169.9	-176.8	0	0	0	0	107.7	A440 A441 L464 A465 L482 V484 W494	A440-V447 WeakPolarHBondContact O-CA 3.37Å; A441-V447 HydrophobicContact CB-CG2 4.33Å; V447-L464 HydrophobicContact CG1-CB 4.39Å; V447-L464 HydrophobicContact CG1-CD1 4.49Å; V447-L464 WeakPolarHBondContact O-CB 3.49Å; V447-L464 PolarHBondContact O-N 2.81Å; V447-A465 HydrophobicContact CB-CB 4.21Å; V447-A465 HydrophobicContact CG2-CB 4.4Å; V447-A465 PolarHBondContact N-O 3.46Å; V447-A465 PolarHBondContact O-N 3.32Å; V447-L482 HydrophobicContact CG1-CD2 4.26Å; V447-V484 HydrophobicContact CG1-CG2 4.02Å; V447-V484 HydrophobicContact CG2-CG1 4.31Å; V447-V484 HydrophobicContact CG2-CG2 4.16Å; V447-W494 HydrophobicContact CB-CH2 4.16Å; V447-W494 HydrophobicContact CB-CZ2 4.37Å; V447-W494 HydrophobicContact CG1-CH2 4.05Å; V447-W494 HydrophobicContact CG1-CZ2 4.41Å; V447-W494 HydrophobicContact CG1-CZ3 4.28Å; V447-W494 HydrophobicContact CG2-CH2 3.98Å
448	E	95.1	Very high	94.4	Very high	32 Å²	32	18.9 Å²	18.9	15%	0.15	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	142.6	-171.7	-68.1	-163.9	-131.6	0	0	112.3	W424 F439 A440 Y450 P463	W424-E448 HydrophobicContact CZ2-CB 4.35Å; W424-E448 HydrophobicContact CZ2-CG 4.21Å; W424-E448 PolarHBondContact NE1-OE1 3.25Å; F439-E448 WeakPolarHBondContact CA-O 3.22Å; A440-E448 PolarHBondContact N-O 3.18Å; A440-E448 PolarHBondContact O-N 2.89Å; E448-Y450 HydrophobicContact CB-CD2 4.19Å; E448-Y450 HydrophobicContact CB-CE2 3.43Å; E448-Y450 VanDerWaalsContact CB-CE2 3.43Å; E448-Y450 HydrophobicContact CG-CE2 4.49Å; E448-Y450 PolarHBondContact OE1-OH 3.27Å; E448-Y450 WeakPolarHBondContact OE2-CE1 3.3Å; E448-Y450 PolarHBondContact OE2-OH 2.84Å; E448-P463 HydrophobicContact CG-CB 3.49Å; E448-P463 VanDerWaalsContact CG-CB 3.49Å
449	A	95.2	Very high	94.2	Very high	3 Å²	3	19.7 Å²	19.7	3%	0.025	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.7	167.5	0	0	0	0	0	109	F80 F439 L459 L464	F80-A449 HydrophobicContact CB-CB 4.3Å; F439-A449 HydrophobicContact CD1-CB 3.76Å; F439-A449 HydrophobicContact CE1-CB 3.71Å; A449-L459 HydrophobicContact CB-CB 4.22Å; A449-L459 HydrophobicContact CB-CD2 3.93Å; A449-L459 VanDerWaalsContact O-CB 3.24Å; A449-L459 WeakPolarHBondContact O-CB 3.48Å; A449-L459 PolarHBondContact O-N 2.77Å; A449-L464 HydrophobicContact CB-CD1 3.92Å; A449-L464 HydrophobicContact CB-CG 4.3Å
450	Y	95.4	Very high	93.7	Very high	8 Å²	8	20.5 Å²	20.5	3%	0.031	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	150.7	-179.6	-57.9	-92.3	0	0	0	110.7	L421 C437 I438 A440 E448 L456 K457 P458	L421-Y450 HydrophobicContact CD2-CE1 4.26Å; C437-Y450 CarbonylContact C-O 3.53Å; C437-Y450 WeakPolarHBondContact CA-O 3.26Å; I438-Y450 PolarHBondContact N-O 3.38Å; I438-Y450 WeakPolarHBondContact O-CD2 3.06Å; I438-Y450 PolarHBondContact O-N 3.39Å; A440-Y450 HydrophobicContact CB-CE2 4.24Å; E448-Y450 HydrophobicContact CB-CD2 4.19Å; E448-Y450 HydrophobicContact CB-CE2 3.43Å; E448-Y450 VanDerWaalsContact CB-CE2 3.43Å; E448-Y450 HydrophobicContact CG-CE2 4.49Å; E448-Y450 PolarHBondContact OE1-OH 3.27Å; E448-Y450 WeakPolarHBondContact OE2-CE1 3.3Å; E448-Y450 PolarHBondContact OE2-OH 2.84Å; Y450-L456 VanDerWaalsContact CB-CD1 3.43Å; Y450-L456 HydrophobicContact CD1-CD1 4.38Å; Y450-L456 HydrophobicContact CD1-CD2 3.64Å; Y450-L456 HydrophobicContact CD1-CG 3.56Å; Y450-L456 HydrophobicContact CD2-CD2 3.83Å; Y450-L456 HydrophobicContact CD2-CG 4.3Å; Y450-L456 HydrophobicContact CE1-CD2 3.89Å; Y450-L456 HydrophobicContact CE1-CG 4.24Å; Y450-L456 HydrophobicContact CE2-CD2 4.09Å; Y450-L456 HydrophobicContact CG-CD1 3.94Å; Y450-L456 HydrophobicContact CG-CD2 3.59Å; Y450-L456 HydrophobicContact CG-CG 3.58Å; Y450-K457 CarbonylContact C-O 3.58Å; Y450-K457 VanDerWaalsContact CA-O 3.26Å; Y450-K457 WeakPolarHBondContact CA-O 3.15Å; Y450-K457 WeakPolarHBondContact CB-O 3.17Å; Y450-P458 HydrophobicContact CD1-CB 4.45Å; Y450-P458 HydrophobicContact CD1-CG 4.23Å; Y450-P458 HydrophobicContact CE1-CG 4.16Å
451	H	93.8	Very high	93.2	Very high	17 Å²	17	28.5 Å²	28.5	8%	0.079	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	136.9	163.6	-70.2	-67.3	0	0	0	110.5	W52 C77 T453 L456 K457 L459	W52-H451 AromaticContact CD1-CE1 3.63Å; C77-H451 VanDerWaalsContact SG-CE1 3.55Å; H451-T453 HydrophobicContact CB-CG2 3.92Å; H451-T453 PolarHBondContact O-N 3.48Å; H451-T453 PolarHBondContact O-OG1 2.75Å; H451-L456 WeakPolarHBondContact O-CD1 3.29Å; H451-K457 PolarHBondContact N-O 2.97Å; H451-L459 WeakPolarHBondContact CE1-CD1 3.42Å; H451-L459 WeakPolarHBondContact ND1-CD1 3.38Å
452	P	92.9	Very high	92.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-74.6	63.4	178.2	31.8	-35.9	0	0	0	111.4	Y56 L389 L435 G436 I438	Y56-P452 HydrophobicContact CD2-CG 4.44Å; Y56-P452 VanDerWaalsContact CD2-O 3.26Å; Y56-P452 WeakPolarHBondContact CD2-O 3.38Å; Y56-P452 HydrophobicContact CE2-CG 4.02Å; L389-P452 HydrophobicContact CD1-CB 4.09Å; L435-P452 WeakPolarHBondContact O-CG 3.34Å; G436-P452 WeakPolarHBondContact O-CD 3.38Å; I438-P452 HydrophobicContact CD1-CB 3.9Å; I438-P452 HydrophobicContact CG1-CB 3.99Å
453	T	93	Very high	92.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.193	C	C	.	.			trans	-125.7	167	-169.7	51	0	0	0	0	111.2	T55 H451 P455 L456	T55-T453 WeakPolarHBondContact O-CA 3.33Å; H451-T453 HydrophobicContact CB-CG2 3.92Å; H451-T453 PolarHBondContact O-N 3.48Å; H451-T453 PolarHBondContact O-OG1 2.75Å; T453-P455 CarbonylContact C-O 3.56Å; T453-P455 VanDerWaalsContact C-O 3.32Å; T453-P455 CarbonylContact O-C 3.5Å; T453-P455 PolarHBondContact OG1-O 3.49Å; T453-P455 VanDerWaalsContact OG1-O 3.14Å; T453-L456 PolarHBondContact O-N 2.76Å
454	N	88	Confident	92.3	Very high	32 Å²	32	39.1 Å²	39.1	17%	0.171	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-114.2	123.9	168.1	180	28.4	0	0	0	111.2	T55 Y417	T55-N454 WeakPolarHBondContact CB-O 3.38Å; T55-N454 PolarHBondContact N-O 2.7Å; T55-N454 PolarHBondContact O-N 2.82Å; T55-N454 PolarHBondContact OG1-O 2.93Å; Y417-N454 WeakPolarHBondContact CD1-ND2 2.96Å; Y417-N454 HydrophobicContact CD2-CB 4.27Å; Y417-N454 WeakPolarHBondContact CE1-ND2 3.43Å; Y417-N454 HydrophobicContact CE2-CB 4.34Å; Y417-N454 WeakPolarHBondContact CE2-ND2 3.27Å
455	P	91	Very high	92.2	Very high	76 Å²	76	37.3 Å²	37.3	49%	0.494	19%	0.186	S	C	.	.	S	Bend	cis	-64.9	167	-12.1	31.8	-36.4	0	0	0	111	T453 K457	T453-P455 CarbonylContact C-O 3.56Å; T453-P455 VanDerWaalsContact C-O 3.32Å; T453-P455 CarbonylContact O-C 3.5Å; T453-P455 PolarHBondContact OG1-O 3.49Å; T453-P455 VanDerWaalsContact OG1-O 3.14Å; P455-K457 PolarHBondContact O-N 3.03Å
456	L	92.1	Very high	92	Very high	20 Å²	20	43.5 Å²	43.5	11%	0.105	21%	0.214	C	C	.	.			trans	-61.1	124.3	174.4	-168.1	70.2	0	0	0	109.6	W395 I403 N419 L421 I438 Y450 H451 T453	W395-L456 HydrophobicContact CH2-CD1 3.78Å; W395-L456 HydrophobicContact CZ3-CD1 3.67Å; I403-L456 HydrophobicContact CD1-CD2 4.15Å; N419-L456 HydrophobicContact CB-CB 4Å; N419-L456 WeakPolarHBondContact OD1-CB 3.28Å; N419-L456 PolarHBondContact OD1-N 3.05Å; L421-L456 HydrophobicContact CD2-CD2 3.85Å; I438-L456 HydrophobicContact CB-CD1 4.27Å; I438-L456 HydrophobicContact CG1-CD1 4.11Å; Y450-L456 VanDerWaalsContact CB-CD1 3.43Å; Y450-L456 HydrophobicContact CD1-CD1 4.38Å; Y450-L456 HydrophobicContact CD1-CD2 3.64Å; Y450-L456 HydrophobicContact CD1-CG 3.56Å; Y450-L456 HydrophobicContact CD2-CD2 3.83Å; Y450-L456 HydrophobicContact CD2-CG 4.3Å; Y450-L456 HydrophobicContact CE1-CD2 3.89Å; Y450-L456 HydrophobicContact CE1-CG 4.24Å; Y450-L456 HydrophobicContact CE2-CD2 4.09Å; Y450-L456 HydrophobicContact CG-CD1 3.94Å; Y450-L456 HydrophobicContact CG-CD2 3.59Å; Y450-L456 HydrophobicContact CG-CG 3.58Å; H451-L456 WeakPolarHBondContact O-CD1 3.29Å; T453-L456 PolarHBondContact O-N 2.76Å
457	K	92.4	Very high	91.8	Very high	61 Å²	61	51.5 Å²	51.5	27%	0.265	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.1	-178.1	-74	-178.1	174.4	-174.6	0	110.6	S53 G54 Y450 H451 P455 L459	S53-K457 WeakPolarHBondContact OG-CD 2.85Å; S53-K457 PolarHBondContact OG-NZ 3.29Å; G54-K457 VanDerWaalsContact N-NZ 3.16Å; Y450-K457 CarbonylContact C-O 3.58Å; Y450-K457 VanDerWaalsContact CA-O 3.26Å; Y450-K457 WeakPolarHBondContact CA-O 3.15Å; Y450-K457 WeakPolarHBondContact CB-O 3.17Å; H451-K457 PolarHBondContact N-O 2.97Å; P455-K457 PolarHBondContact O-N 3.03Å; K457-L459 PolarHBondContact O-N 3.26Å
458	P	92.8	Very high	91.5	Very high	71 Å²	71	52.2 Å²	52.2	46%	0.461	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	140.2	172	-25.4	34.6	0	0	0	110.8	Y450 S460	Y450-P458 HydrophobicContact CD1-CB 4.45Å; Y450-P458 HydrophobicContact CD1-CG 4.23Å; Y450-P458 HydrophobicContact CE1-CG 4.16Å; P458-S460 VanDerWaalsContact C-N 3.25Å; P458-S460 WeakPolarHBondContact CB-O 3.24Å
459	L	91.4	Very high	90.8	Very high	16 Å²	16	55.4 Å²	55.4	8%	0.084	28%	0.278	C	S	.	.	S	Bend	trans	-72.1	-25.1	177.6	-168.9	63.3	0	0	0	112.1	C76 C77 F80 A449 H451 K457	C76-L459 WeakPolarHBondContact O-CD2 3.39Å; C77-L459 HydrophobicContact CB-CD1 4.47Å; C77-L459 VanDerWaalsContact SG-CD1 3.6Å; F80-L459 HydrophobicContact CB-CD2 3.65Å; A449-L459 HydrophobicContact CB-CB 4.22Å; A449-L459 HydrophobicContact CB-CD2 3.93Å; A449-L459 VanDerWaalsContact O-CB 3.24Å; A449-L459 WeakPolarHBondContact O-CB 3.48Å; A449-L459 PolarHBondContact O-N 2.77Å; H451-L459 WeakPolarHBondContact CE1-CD1 3.42Å; H451-L459 WeakPolarHBondContact ND1-CD1 3.38Å; K457-L459 PolarHBondContact O-N 3.26Å
460	S	88.3	Confident	90.4	Very high	17 Å²	17	56 Å²	56	12%	0.119	28%	0.283	C	S	.	.	S	Bend	trans	-139.6	157.1	-176.9	49	0	0	0	0	110.4	P458 R462	P458-S460 VanDerWaalsContact C-N 3.25Å; P458-S460 WeakPolarHBondContact CB-O 3.24Å; S460-R462 WeakPolarHBondContact CB-O 3.4Å; S460-R462 PolarHBondContact O-N 2.82Å; S460-R462 PolarHBondContact OG-O 3.3Å
461	K	87.4	Confident	90.3	Very high	169 Å²	169	59.6 Å²	59.6	74%	0.735	30%	0.303	S	S	*	.	S	Bend	trans	-63.5	-30.3	176.8	-72.9	-175.7	-157	129.6	0	113.5	E82	E82-K461 WeakPolarHBondContact OE1-CD 3.14Å; E82-K461 VanDerWaalsContact OE1-CE 3.25Å; E82-K461 WeakPolarHBondContact OE1-CE 3.38Å; E82-K461 IonicContact OE1-NZ 2.83Å; E82-K461 PolarHBondContact OE1-NZ 2.84Å; E82-K461 WeakPolarHBondContact OE2-CE 3.09Å; E82-K461 WeakPolarHBondContact OE2-CG 3.41Å; E82-K461 IonicContact OE2-NZ 3.75Å; E82-K461 PolarHBondContact OE2-NZ 3.43Å
462	R	88.8	Confident	90.4	Very high	186 Å²	186	58.8 Å²	58.8	70%	0.702	30%	0.299	S	S	*	.	S	Bend	trans	-112.4	143.2	174.6	-65.4	-173.7	-174.4	171	-0.5	109.4	S460	S460-R462 WeakPolarHBondContact CB-O 3.4Å; S460-R462 PolarHBondContact O-N 2.82Å; S460-R462 PolarHBondContact OG-O 3.3Å
463	P	91.3	Very high	90.6	Very high	37 Å²	37	59.3 Å²	59.3	24%	0.24	30%	0.302	C	S	.	.			trans	-64.7	161.9	175.9	33	-39.3	0	0	0	111	E448 A465 E466	E448-P463 HydrophobicContact CG-CB 3.49Å; E448-P463 VanDerWaalsContact CG-CB 3.49Å; P463-A465 PolarHBondContact O-N 2.95Å; P463-E466 HydrophobicContact CG-CB 4.07Å; P463-E466 HydrophobicContact CG-CG 3.3Å
464	L	91.7	Very high	90.8	Very high	25 Å²	25	59.5 Å²	59.5	13%	0.131	30%	0.303	C	S	.	.	S	Bend	trans	-59.4	-33.9	175.8	-68.5	178	0	0	0	111.9	F80 V447 A449 L482 W494	F80-L464 HydrophobicContact CB-CD2 4.18Å; F80-L464 HydrophobicContact CD1-CD1 4.24Å; F80-L464 HydrophobicContact CD1-CD2 4.31Å; V447-L464 HydrophobicContact CG1-CB 4.39Å; V447-L464 HydrophobicContact CG1-CD1 4.49Å; V447-L464 WeakPolarHBondContact O-CB 3.49Å; V447-L464 PolarHBondContact O-N 2.81Å; A449-L464 HydrophobicContact CB-CD1 3.92Å; A449-L464 HydrophobicContact CB-CG 4.3Å; L464-L482 HydrophobicContact CD1-CD2 3.55Å; L464-W494 HydrophobicContact CB-CZ2 4.48Å; L464-W494 PolarHBondContact O-NE1 3.14Å
465	A	91.8	Very high	91.3	Very high	8 Å²	8	58.8 Å²	58.8	7%	0.066	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-143.8	128.9	161.6	0	0	0	0	0	110.2	S446 V447 P463 I468 W494	S446-A465 CarbonylContact C-O 3.59Å; S446-A465 VanDerWaalsContact CA-O 3.28Å; S446-A465 WeakPolarHBondContact CA-O 3.46Å; V447-A465 HydrophobicContact CB-CB 4.21Å; V447-A465 HydrophobicContact CG2-CB 4.4Å; V447-A465 PolarHBondContact N-O 3.46Å; V447-A465 PolarHBondContact O-N 3.32Å; P463-A465 PolarHBondContact O-N 2.95Å; A465-I468 HydrophobicContact CB-CG2 3.56Å; A465-W494 HydrophobicContact CB-CZ2 4.07Å
466	E	88.6	Confident	91.6	Very high	130 Å²	130	56.1 Å²	56.1	61%	0.607	28%	0.28	S	S	*	.	S	Bend	trans	-72.8	-40.1	173.9	-71.7	-179.6	-173.1	0	0	111	P463	P463-E466 HydrophobicContact CG-CB 4.07Å; P463-E466 HydrophobicContact CG-CG 3.3Å
467	K	89.8	Confident	91.7	Very high	174 Å²	174	56 Å²	56	76%	0.757	28%	0.278	S	S	*	.			trans	-158.5	106.7	178.8	-171.1	177.3	-178.1	-175.3	0	110.6	G445	G445-K467 CarbonylContact O-C 3.56Å; G445-K467 WeakPolarHBondContact O-CA 3.43Å
468	I	89.9	Confident	91.7	Very high	14 Å²	14	54.2 Å²	54.2	7%	0.072	27%	0.271	C	S	.	.			trans	-80	154.2	163.8	69.5	173.8	0	0	0	110.1	G445 A465 A470 P472 V484 Y492	G445-I468 PolarHBondContact O-N 3.45Å; A465-I468 HydrophobicContact CB-CG2 3.56Å; I468-A470 VanDerWaalsContact C-N 3.31Å; I468-A470 VanDerWaalsContact CG1-O 3.28Å; I468-A470 WeakPolarHBondContact CG1-O 3.41Å; I468-A470 PolarHBondContact O-N 3.05Å; I468-P472 HydrophobicContact CD1-CB 4.07Å; I468-P472 HydrophobicContact CD1-CG 3.5Å; I468-P472 HydrophobicContact CG1-CG 3.88Å; I468-V484 HydrophobicContact CD1-CG1 4.22Å; I468-Y492 HydrophobicContact CB-CE1 4.09Å; I468-Y492 HydrophobicContact CB-CE2 4.13Å; I468-Y492 HydrophobicContact CD1-CD2 3.73Å; I468-Y492 HydrophobicContact CD1-CE2 3.6Å; I468-Y492 HydrophobicContact CD1-CG 4.45Å; I468-Y492 HydrophobicContact CG1-CE2 4.34Å; I468-Y492 HydrophobicContact CG2-CD1 4.13Å; I468-Y492 HydrophobicContact CG2-CE1 4.04Å; I468-Y492 HydrophobicContact CG2-CG 4.4Å
469	S	80.8	Confident	91.4	Very high	100 Å²	100	51.8 Å²	51.8	70%	0.699	25%	0.254	S	S	*	.	S	Bend	trans	-66.4	-30.1	-169.6	55.1	0	0	0	0	113.8	Y492	S469-Y492 PolarHBondContact OG-OH 3.37Å; S469-Y492 VanDerWaalsContact OG-OH 3.09Å
470	A	87.4	Confident	91.2	Very high	16 Å²	16	51.7 Å²	51.7	13%	0.132	25%	0.254	C	S	.	.	S	Bend	trans	-114.4	168.4	179.2	0	0	0	0	0	112.4	I468 P472 N488	I468-A470 VanDerWaalsContact C-N 3.31Å; I468-A470 VanDerWaalsContact CG1-O 3.28Å; I468-A470 WeakPolarHBondContact CG1-O 3.41Å; I468-A470 PolarHBondContact O-N 3.05Å; A470-P472 VanDerWaalsContact O-CD 3.27Å; A470-P472 WeakPolarHBondContact O-CD 3.43Å; A470-N488 HydrophobicContact CB-CB 3.83Å; A470-N488 WeakPolarHBondContact CB-OD1 3.42Å
471	L	92.7	Very high	91.4	Very high	83 Å²	83	51 Å²	51	44%	0.435	25%	0.249	S	C	.	.			trans	-71.8	121.1	-179.1	-51.6	175.2	0	0	0	109.4	L443 T473 S486 G487	L443-L471 HydrophobicContact CD2-CB 4.44Å; L443-L471 WeakPolarHBondContact O-CD2 3.44Å; L471-T473 HydrophobicContact CB-CG2 4.48Å; L471-T473 PolarHBondContact O-N 2.92Å; L471-T473 VanDerWaalsContact O-N 3.12Å; L471-S486 CarbonylContact O-C 3.58Å; L471-S486 VanDerWaalsContact O-CA 3.25Å; L471-S486 WeakPolarHBondContact O-CA 3.42Å; L471-G487 PolarHBondContact O-N 3.45Å
472	P	96.6	Very high	91.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	111.6	169.7	-13.5	24.1	0	0	0	109.3	G429 A441 G442 L443 I468 A470 V484	G429-P472 VanDerWaalsContact CA-O 3.32Å; G429-P472 WeakPolarHBondContact CA-O 3.28Å; A441-P472 HydrophobicContact CB-CB 3.79Å; G442-P472 VanDerWaalsContact O-CD 3.26Å; G442-P472 WeakPolarHBondContact O-CD 3.27Å; G442-P472 WeakPolarHBondContact O-CG 3.48Å; L443-P472 WeakPolarHBondContact CD2-O 3.27Å; I468-P472 HydrophobicContact CD1-CB 4.07Å; I468-P472 HydrophobicContact CD1-CG 3.5Å; I468-P472 HydrophobicContact CG1-CG 3.88Å; A470-P472 VanDerWaalsContact O-CD 3.27Å; A470-P472 WeakPolarHBondContact O-CD 3.43Å; P472-V484 HydrophobicContact CB-CG1 3.7Å
473	T	97.1	Very high	92.1	Very high	10 Å²	10	34 Å²	34	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-20.8	-175	38.9	0	0	0	0	113.2	I100 G429 L443 L471 G485 S486 G487	I100-T473 WeakPolarHBondContact O-CB 3.35Å; I100-T473 PolarHBondContact O-OG1 3.22Å; G429-T473 CarbonylContact O-C 3.54Å; L443-T473 HydrophobicContact CD2-CG2 4.33Å; L471-T473 HydrophobicContact CB-CG2 4.48Å; L471-T473 PolarHBondContact O-N 2.92Å; L471-T473 VanDerWaalsContact O-N 3.12Å; T473-G485 PolarHBondContact N-O 2.89Å; T473-G485 PolarHBondContact OG1-O 3.27Å; T473-S486 VanDerWaalsContact OG1-C 3.31Å; T473-G487 PolarHBondContact OG1-N 3.19Å
474	S	97.7	Very high	92.4	Very high	4 Å²	4	32.3 Å²	32.3	3%	0.028	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	153.5	179.4	49.1	0	0	0	0	110.8	I100 L103 V484 G485	I100-S474 PolarHBondContact O-OG 3.42Å; L103-S474 WeakPolarHBondContact CD1-OG 3.41Å; S474-V484 WeakPolarHBondContact O-CA 3.38Å; S474-G485 PolarHBondContact N-O 3.36Å; S474-G485 PolarHBondContact O-N 3.22Å; S474-G485 WeakPolarHBondContact OG-CA 3.45Å
475	L	98.1	Very high	92.7	Very high	17 Å²	17	31.1 Å²	31.1	9%	0.089	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	135.8	177.1	-179.6	150.8	0	0	0	107.9	K432 F439 A441 L482 V483 V484	K432-L475 HydrophobicContact CB-CD2 3.56Å; F439-L475 HydrophobicContact CB-CD1 4.17Å; F439-L475 HydrophobicContact CB-CD2 4.13Å; A441-L475 HydrophobicContact CB-CB 4.28Å; A441-L475 HydrophobicContact CB-CD1 3.7Å; L475-L482 HydrophobicContact CD1-CD1 3.96Å; L475-L482 HydrophobicContact CD2-CD1 3.9Å; L475-L482 HydrophobicContact CG-CD1 3.8Å; L475-V483 CarbonylContact C-O 3.59Å; L475-V483 VanDerWaalsContact CA-O 3.32Å; L475-V483 WeakPolarHBondContact CA-O 3.44Å; L475-V484 HydrophobicContact CB-CG2 4.38Å; L475-V484 HydrophobicContact CD1-CG2 3.98Å; L475-V484 HydrophobicContact CG-CG2 4.13Å
476	E	97	Very high	92.9	Very high	20 Å²	20	30.7 Å²	30.7	9%	0.093	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146	170.6	-170.8	54.3	-95.8	0	0	109.5	L103 I105 K432 V483	L103-E476 HydrophobicContact CB-CB 4Å; I105-E476 HydrophobicContact CB-CG 4.36Å; I105-E476 HydrophobicContact CD1-CG 4.3Å; I105-E476 HydrophobicContact CG1-CG 4.05Å; K432-E476 WeakPolarHBondContact CE-OE1 3.22Å; K432-E476 IonicContact NZ-OE1 3.52Å; K432-E476 PolarHBondContact NZ-OE1 3.43Å; K432-E476 IonicContact NZ-OE2 3.44Å; E476-V483 PolarHBondContact N-O 2.9Å; E476-V483 PolarHBondContact O-N 3.37Å
477	Y	94.7	Very high	93.2	Very high	17 Å²	17	25.9 Å²	25.9	7%	0.067	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	126.1	174.4	170.4	-92	0	0	0	110.3	F80 T434 F439 V481 L482	F80-Y477 AromaticContact CE2-CE2 3.69Å; F80-Y477 HydrophobicContact CE2-CE2 3.69Å; F80-Y477 HydrophobicContact CZ-CD2 4.38Å; F80-Y477 AromaticContact CZ-CE2 3.71Å; F80-Y477 HydrophobicContact CZ-CE2 3.71Å; T434-Y477 HydrophobicContact CG2-CD1 3.64Å; T434-Y477 HydrophobicContact CG2-CE1 3.77Å; F439-Y477 HydrophobicContact CD2-CD1 4.26Å; F439-Y477 HydrophobicContact CD2-CD2 4.22Å; F439-Y477 AromaticContact CD2-CG 3.92Å; F439-Y477 HydrophobicContact CD2-CG 3.92Å; F439-Y477 AromaticContact CE2-CD1 3.76Å; F439-Y477 HydrophobicContact CE2-CD1 3.76Å; F439-Y477 AromaticContact CE2-CD2 3.59Å; F439-Y477 HydrophobicContact CE2-CD2 3.59Å; F439-Y477 AromaticContact CE2-CE1 3.94Å; F439-Y477 HydrophobicContact CE2-CE1 3.94Å; F439-Y477 AromaticContact CE2-CE2 3.76Å; F439-Y477 HydrophobicContact CE2-CE2 3.76Å; F439-Y477 AromaticContact CE2-CG 3.57Å; F439-Y477 HydrophobicContact CE2-CG 3.57Å; F439-Y477 AromaticContact CE2-CZ 3.92Å; F439-Y477 AromaticContact CZ-CD2 3.88Å; F439-Y477 HydrophobicContact CZ-CD2 3.88Å; F439-Y477 AromaticContact CZ-CE2 3.78Å; F439-Y477 HydrophobicContact CZ-CE2 3.78Å; F439-Y477 HydrophobicContact CZ-CG 4.33Å; Y477-V481 WeakPolarHBondContact CA-O 3.01Å; Y477-V481 WeakPolarHBondContact CD2-O 3.16Å; Y477-L482 HydrophobicContact CD2-CB 3.94Å; Y477-L482 HydrophobicContact CD2-CD1 4.48Å
478	H	90.8	Very high	93.4	Very high	24 Å²	24	19.7 Å²	19.7	11%	0.111	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	146.5	172.5	-173.5	61.3	0	0	0	110.7	I105 L107 D480 V481	I105-H478 HydrophobicContact CB-CB 3.85Å; I105-H478 HydrophobicContact CD1-CB 4.1Å; I105-H478 HydrophobicContact CG2-CB 3.82Å; L107-H478 WeakPolarHBondContact CD1-CE1 3.45Å; H478-D480 VanDerWaalsContact C-N 3.33Å; H478-D480 PolarHBondContact O-N 2.92Å; H478-V481 PolarHBondContact N-O 3.46Å; H478-V481 VanDerWaalsContact N-O 3.07Å; H478-V481 PolarHBondContact O-N 3.29Å
479	N	86.9	Confident	93.5	Very high	20 Å²	20	19 Å²	19	11%	0.107	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	50.5	174	-158.7	38.3	0	0	0	114.4	P110 Y276 V481 R499	P110-N479 HydrophobicContact CB-CB 3.97Å; Y276-N479 WeakPolarHBondContact CE1-ND2 3.13Å; Y276-N479 PolarHBondContact OH-OD1 3.33Å; N479-V481 PolarHBondContact O-N 2.98Å; N479-R499 PolarHBondContact ND2-NE 3.34Å; N479-R499 PolarHBondContact ND2-NH2 3.28Å; N479-R499 PolarHBondContact O-NE 3.21Å
480	D	88.3	Confident	94.1	Very high	14 Å²	14	14.3 Å²	14.3	8%	0.075	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	9.6	-178.5	-48.3	-43.4	0	0	0	116.3	K75 H478 S495 R499	K75-D480 WeakPolarHBondContact CD-OD1 2.95Å; K75-D480 WeakPolarHBondContact CE-OD1 3.36Å; K75-D480 WeakPolarHBondContact CE-OD2 3.44Å; K75-D480 IonicContact NZ-OD1 2.71Å; K75-D480 PolarHBondContact NZ-OD1 3.19Å; K75-D480 IonicContact NZ-OD2 2.77Å; K75-D480 PolarHBondContact NZ-OD2 3.4Å; H478-D480 VanDerWaalsContact C-N 3.33Å; H478-D480 PolarHBondContact O-N 2.92Å; D480-S495 WeakPolarHBondContact O-CA 3.46Å; D480-S495 PolarHBondContact O-OG 3.23Å; D480-R499 HydrophobicContact CB-CB 4.27Å; D480-R499 HydrophobicContact CB-CG 4.28Å
481	V	91.6	Very high	94.4	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.012	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116	176.5	-171.6	0	0	0	0	109	F127 Y477 H478 N479 V483 V493 R499	F127-V481 HydrophobicContact CD1-CG1 4.44Å; F127-V481 HydrophobicContact CE1-CG1 3.92Å; F127-V481 HydrophobicContact CE2-CG1 4.26Å; F127-V481 HydrophobicContact CZ-CG1 3.81Å; Y477-V481 WeakPolarHBondContact CA-O 3.01Å; Y477-V481 WeakPolarHBondContact CD2-O 3.16Å; H478-V481 PolarHBondContact N-O 3.46Å; H478-V481 VanDerWaalsContact N-O 3.07Å; H478-V481 PolarHBondContact O-N 3.29Å; N479-V481 PolarHBondContact O-N 2.98Å; V481-V483 HydrophobicContact CG1-CG2 3.8Å; V481-V493 HydrophobicContact CG1-CG1 3.66Å; V481-R499 HydrophobicContact CG2-CG 4.11Å
482	L	95.4	Very high	94.5	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.3	168	175.7	67.7	0	0	0	108.7	F80 F439 V447 L464 L475 Y477 V493 W494	F80-L482 HydrophobicContact CE1-CB 4.11Å; F80-L482 HydrophobicContact CZ-CB 4.31Å; F439-L482 HydrophobicContact CB-CD1 4.07Å; F439-L482 HydrophobicContact CD1-CD1 4.09Å; F439-L482 HydrophobicContact CD1-CD2 3.79Å; F439-L482 HydrophobicContact CD1-CG 4.49Å; F439-L482 HydrophobicContact CE1-CD2 4.15Å; F439-L482 HydrophobicContact CG-CD1 3.98Å; F439-L482 HydrophobicContact CG-CD2 4.49Å; V447-L482 HydrophobicContact CG1-CD2 4.26Å; L464-L482 HydrophobicContact CD1-CD2 3.55Å; L475-L482 HydrophobicContact CD1-CD1 3.96Å; L475-L482 HydrophobicContact CD2-CD1 3.9Å; L475-L482 HydrophobicContact CG-CD1 3.8Å; Y477-L482 HydrophobicContact CD2-CB 3.94Å; Y477-L482 HydrophobicContact CD2-CD1 4.48Å; L482-V493 CarbonylContact O-C 3.58Å; L482-V493 WeakPolarHBondContact O-CA 3.37Å; L482-W494 HydrophobicContact CB-CB 4.22Å; L482-W494 HydrophobicContact CB-CE3 4.47Å; L482-W494 HydrophobicContact CD2-CB 4.44Å; L482-W494 HydrophobicContact CD2-CD2 4.23Å; L482-W494 HydrophobicContact CD2-CE3 3.85Å; L482-W494 HydrophobicContact CD2-CZ3 4.49Å; L482-W494 HydrophobicContact CG-CE3 4Å; L482-W494 PolarHBondContact N-O 2.99Å; L482-W494 PolarHBondContact O-N 3.09Å
483	V	96.2	Very high	94.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.5	177.3	-172.6	0	0	0	0	110	L103 I105 L113 F127 L475 E476 V481 I491 Y492 V493	L103-V483 HydrophobicContact CD1-CB 4.41Å; L103-V483 HydrophobicContact CD1-CG1 3.85Å; I105-V483 HydrophobicContact CD1-CG2 4.15Å; L113-V483 HydrophobicContact CD1-CB 4.47Å; L113-V483 HydrophobicContact CD1-CG1 4.27Å; L113-V483 HydrophobicContact CD1-CG2 4.34Å; L113-V483 HydrophobicContact CD2-CG1 3.81Å; F127-V483 HydrophobicContact CE1-CG2 3.97Å; F127-V483 HydrophobicContact CZ-CG2 3.74Å; L475-V483 CarbonylContact C-O 3.59Å; L475-V483 VanDerWaalsContact CA-O 3.32Å; L475-V483 WeakPolarHBondContact CA-O 3.44Å; E476-V483 PolarHBondContact N-O 2.9Å; E476-V483 PolarHBondContact O-N 3.37Å; V481-V483 HydrophobicContact CG1-CG2 3.8Å; V483-I491 HydrophobicContact CG1-CG2 3.46Å; V483-I491 VanDerWaalsContact CG1-CG2 3.46Å; V483-Y492 CarbonylContact C-O 3.55Å; V483-Y492 WeakPolarHBondContact CA-O 3.48Å; V483-V493 HydrophobicContact CG1-CG2 4.43Å; V483-V493 HydrophobicContact CG2-CG1 4.48Å; V483-V493 HydrophobicContact CG2-CG2 4.36Å
484	V	98.1	Very high	94.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.1	174.5	173.1	0	0	0	0	109.6	A441 V447 I468 P472 S474 L475 I491 Y492 W494	A441-V484 HydrophobicContact CB-CG1 4.46Å; A441-V484 HydrophobicContact CB-CG2 4.42Å; V447-V484 HydrophobicContact CG1-CG2 4.02Å; V447-V484 HydrophobicContact CG2-CG1 4.31Å; V447-V484 HydrophobicContact CG2-CG2 4.16Å; I468-V484 HydrophobicContact CD1-CG1 4.22Å; P472-V484 HydrophobicContact CB-CG1 3.7Å; S474-V484 WeakPolarHBondContact O-CA 3.38Å; L475-V484 HydrophobicContact CB-CG2 4.38Å; L475-V484 HydrophobicContact CD1-CG2 3.98Å; L475-V484 HydrophobicContact CG-CG2 4.13Å; V484-I491 WeakPolarHBondContact O-CA 3.42Å; V484-Y492 PolarHBondContact N-O 3.47Å; V484-Y492 PolarHBondContact O-N 3.39Å; V484-W494 HydrophobicContact CB-CH2 4.31Å; V484-W494 HydrophobicContact CB-CZ3 3.82Å; V484-W494 HydrophobicContact CG2-CH2 4.21Å; V484-W494 HydrophobicContact CG2-CZ3 3.61Å
485	G	97	Very high	93.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	144	175.9	0	0	0	0	0	110.2	T473 S474	T473-G485 PolarHBondContact N-O 2.89Å; T473-G485 PolarHBondContact OG1-O 3.27Å; S474-G485 PolarHBondContact N-O 3.36Å; S474-G485 PolarHBondContact O-N 3.22Å; S474-G485 WeakPolarHBondContact OG-CA 3.45Å
486	S	96.7	Very high	93.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	159.4	-172.7	-60.3	0	0	0	0	114	G99 I100 L471 T473 N488 G489 S490 Y492	G99-S486 WeakPolarHBondContact CA-O 3.39Å; I100-S486 PolarHBondContact N-O 3.33Å; L471-S486 CarbonylContact O-C 3.58Å; L471-S486 VanDerWaalsContact O-CA 3.25Å; L471-S486 WeakPolarHBondContact O-CA 3.42Å; T473-S486 VanDerWaalsContact OG1-C 3.31Å; S486-N488 WeakPolarHBondContact CB-OD1 3.45Å; S486-N488 PolarHBondContact O-N 3.25Å; S486-N488 VanDerWaalsContact O-N 3.1Å; S486-G489 PolarHBondContact O-N 2.8Å; S486-G489 VanDerWaalsContact O-N 3.08Å; S486-S490 WeakPolarHBondContact CB-O 3.33Å; S486-S490 PolarHBondContact N-O 3.31Å; S486-Y492 VanDerWaalsContact OG-CE2 3.25Å; S486-Y492 WeakPolarHBondContact OG-CE2 3.36Å
487	G	94	Very high	92.3	Very high	28 Å²	28	10 Å²	10	29%	0.289	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.6	-178	0	0	0	0	0	115.7	G99 L471 T473	G99-G487 VanDerWaalsContact CA-C 3.42Å; G99-G487 WeakPolarHBondContact CA-O 3.3Å; G99-G487 PolarHBondContact N-O 2.71Å; L471-G487 PolarHBondContact O-N 3.45Å; T473-G487 PolarHBondContact OG1-N 3.19Å
488	N	93.7	Very high	91.6	Very high	45 Å²	45	13.9 Å²	13.9	24%	0.241	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	4.8	175.9	72.1	-27.8	0	0	0	113.5	N94 A470 S486 S490	N94-N488 PolarHBondContact ND2-O 3.3Å; A470-N488 HydrophobicContact CB-CB 3.83Å; A470-N488 WeakPolarHBondContact CB-OD1 3.42Å; S486-N488 WeakPolarHBondContact CB-OD1 3.45Å; S486-N488 PolarHBondContact O-N 3.25Å; S486-N488 VanDerWaalsContact O-N 3.1Å; N488-S490 PolarHBondContact ND2-OG 3.12Å; N488-S490 WeakPolarHBondContact OD1-CB 3.39Å; N488-S490 PolarHBondContact OD1-N 2.95Å; N488-S490 PolarHBondContact OD1-OG 2.91Å
489	G	92	Very high	91.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	85.3	8.3	-177.2	0	0	0	0	0	115.8	V95 V96 H98 S486	V95-G489 PolarHBondContact N-O 2.79Å; V96-G489 PolarHBondContact N-O 3.26Å; V96-G489 WeakPolarHBondContact O-CA 3.38Å; H98-G489 WeakPolarHBondContact O-CA 3.5Å; H98-G489 PolarHBondContact O-N 2.78Å; S486-G489 PolarHBondContact O-N 2.8Å; S486-G489 VanDerWaalsContact O-N 3.08Å
490	S	93.9	Very high	90.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.076	C	C	.	.			trans	-79	145.8	169.8	-60.9	0	0	0	0	112.1	K92 L93 N94 S486 N488	K92-S490 CarbonylContact O-C 3.33Å; K92-S490 VanDerWaalsContact O-CA 3.32Å; K92-S490 WeakPolarHBondContact O-CA 3.4Å; L93-S490 WeakPolarHBondContact CA-OG 3.25Å; N94-S490 PolarHBondContact N-OG 2.6Å; N94-S490 VanDerWaalsContact N-OG 3.1Å; S486-S490 WeakPolarHBondContact CB-O 3.33Å; S486-S490 PolarHBondContact N-O 3.31Å; N488-S490 PolarHBondContact ND2-OG 3.12Å; N488-S490 WeakPolarHBondContact OD1-CB 3.39Å; N488-S490 PolarHBondContact OD1-N 2.95Å; N488-S490 PolarHBondContact OD1-OG 2.91Å
491	I	94.2	Very high	90.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.2	173.5	-59.8	171.7	0	0	0	109	K92 V95 I100 L113 M115 F125 W136 V483 V484 V493	K92-I491 WeakPolarHBondContact CA-O 3.14Å; K92-I491 PolarHBondContact N-O 3.46Å; K92-I491 PolarHBondContact O-N 3.21Å; V95-I491 HydrophobicContact CB-CD1 4.5Å; I100-I491 HydrophobicContact CD1-CD1 4.3Å; I100-I491 HydrophobicContact CD1-CG1 3.6Å; L113-I491 HydrophobicContact CD2-CD1 4.3Å; M115-I491 HydrophobicContact SD-CD1 3.92Å; M115-I491 HydrophobicContact SD-CG1 4.49Å; F125-I491 HydrophobicContact CE2-CD1 4.42Å; W136-I491 HydrophobicContact CZ3-CB 4.33Å; W136-I491 HydrophobicContact CZ3-CD1 4.06Å; W136-I491 HydrophobicContact CZ3-CG2 3.98Å; V483-I491 HydrophobicContact CG1-CG2 3.46Å; V483-I491 VanDerWaalsContact CG1-CG2 3.46Å; V484-I491 WeakPolarHBondContact O-CA 3.42Å; I491-V493 HydrophobicContact CG2-CG2 3.94Å
492	Y	94	Very high	90	Very high	9 Å²	9	19.1 Å²	19.1	4%	0.035	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.6	174.3	-58.2	-94.4	0	0	0	108.7	L90 L93 I468 S469 V483 V484 S486 W494	L90-Y492 WeakPolarHBondContact O-CA 3.38Å; L93-Y492 HydrophobicContact CD2-CE1 4.4Å; I468-Y492 HydrophobicContact CB-CE1 4.09Å; I468-Y492 HydrophobicContact CB-CE2 4.13Å; I468-Y492 HydrophobicContact CD1-CD2 3.73Å; I468-Y492 HydrophobicContact CD1-CE2 3.6Å; I468-Y492 HydrophobicContact CD1-CG 4.45Å; I468-Y492 HydrophobicContact CG1-CE2 4.34Å; I468-Y492 HydrophobicContact CG2-CD1 4.13Å; I468-Y492 HydrophobicContact CG2-CE1 4.04Å; I468-Y492 HydrophobicContact CG2-CG 4.4Å; S469-Y492 PolarHBondContact OG-OH 3.37Å; S469-Y492 VanDerWaalsContact OG-OH 3.09Å; V483-Y492 CarbonylContact C-O 3.55Å; V483-Y492 WeakPolarHBondContact CA-O 3.48Å; V484-Y492 PolarHBondContact N-O 3.47Å; V484-Y492 PolarHBondContact O-N 3.39Å; S486-Y492 VanDerWaalsContact OG-CE2 3.25Å; S486-Y492 WeakPolarHBondContact OG-CE2 3.36Å; Y492-W494 VanDerWaalsContact CB-CZ3 3.48Å; Y492-W494 HydrophobicContact CG-CH2 4.27Å; Y492-W494 WeakPolarHBondContact O-CZ3 3.13Å
493	V	93.2	Very high	89.1	Confident	2 Å²	2	19.3 Å²	19.3	1%	0.012	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.2	-176.6	-174.8	0	0	0	0	109	R89 L90 W136 V481 L482 V483 I491	R89-V493 CarbonylContact C-O 3.59Å; R89-V493 WeakPolarHBondContact CA-O 3.31Å; L90-V493 HydrophobicContact CB-CB 4.35Å; L90-V493 PolarHBondContact N-O 3.21Å; L90-V493 PolarHBondContact O-N 3.41Å; W136-V493 HydrophobicContact CH2-CG2 4.4Å; W136-V493 HydrophobicContact CZ3-CG2 4.3Å; V481-V493 HydrophobicContact CG1-CG1 3.66Å; L482-V493 CarbonylContact O-C 3.58Å; L482-V493 WeakPolarHBondContact O-CA 3.37Å; V483-V493 HydrophobicContact CG1-CG2 4.43Å; V483-V493 HydrophobicContact CG2-CG1 4.48Å; V483-V493 HydrophobicContact CG2-CG2 4.36Å; I491-V493 HydrophobicContact CG2-CG2 3.94Å
494	W	92.3	Very high	87.9	Confident	4 Å²	4	22.6 Å²	22.6	2%	0.015	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.2	166.6	-60	-105.5	0	0	0	108.6	F80 I88 R89 V447 L464 A465 L482 V484 Y492	F80-W494 HydrophobicContact CD1-CB 4.18Å; F80-W494 HydrophobicContact CE1-CB 3.75Å; I88-W494 VanDerWaalsContact O-CA 3.3Å; I88-W494 WeakPolarHBondContact O-CA 3.49Å; R89-W494 HydrophobicContact CG-CZ2 4.46Å; V447-W494 HydrophobicContact CB-CH2 4.16Å; V447-W494 HydrophobicContact CB-CZ2 4.37Å; V447-W494 HydrophobicContact CG1-CH2 4.05Å; V447-W494 HydrophobicContact CG1-CZ2 4.41Å; V447-W494 HydrophobicContact CG1-CZ3 4.28Å; V447-W494 HydrophobicContact CG2-CH2 3.98Å; L464-W494 HydrophobicContact CB-CZ2 4.48Å; L464-W494 PolarHBondContact O-NE1 3.14Å; A465-W494 HydrophobicContact CB-CZ2 4.07Å; L482-W494 HydrophobicContact CB-CB 4.22Å; L482-W494 HydrophobicContact CB-CE3 4.47Å; L482-W494 HydrophobicContact CD2-CB 4.44Å; L482-W494 HydrophobicContact CD2-CD2 4.23Å; L482-W494 HydrophobicContact CD2-CE3 3.85Å; L482-W494 HydrophobicContact CD2-CZ3 4.49Å; L482-W494 HydrophobicContact CG-CE3 4Å; L482-W494 PolarHBondContact N-O 2.99Å; L482-W494 PolarHBondContact O-N 3.09Å; V484-W494 HydrophobicContact CB-CH2 4.31Å; V484-W494 HydrophobicContact CB-CZ3 3.82Å; V484-W494 HydrophobicContact CG2-CH2 4.21Å; V484-W494 HydrophobicContact CG2-CZ3 3.61Å; Y492-W494 VanDerWaalsContact CB-CZ3 3.48Å; Y492-W494 HydrophobicContact CG-CH2 4.27Å; Y492-W494 WeakPolarHBondContact O-CZ3 3.13Å
495	S	90.7	Very high	86.3	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.014	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	162.5	179.2	-173.7	0	0	0	0	110.4	I88 D480	I88-S495 PolarHBondContact N-O 3.49Å; I88-S495 PolarHBondContact O-N 3.46Å; D480-S495 WeakPolarHBondContact O-CA 3.46Å; D480-S495 PolarHBondContact O-OG 3.23Å
496	S	83.9	Confident	84.2	Confident	4 Å²	4	31.9 Å²	31.9	3%	0.028	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	151.2	174.4	75.9	0	0	0	0	112.3	N79 D86 D498 R499 I500	N79-S496 VanDerWaalsContact CG-CB 3.46Å; N79-S496 WeakPolarHBondContact OD1-CB 3.44Å; D86-S496 CarbonylContact O-C 3.59Å; D86-S496 WeakPolarHBondContact O-CA 3.27Å; S496-D498 VanDerWaalsContact C-N 3.26Å; S496-D498 PolarHBondContact O-N 3.06Å; S496-R499 PolarHBondContact O-N 3.26Å; S496-R499 VanDerWaalsContact OG-CB 3.24Å; S496-R499 WeakPolarHBondContact OG-CB 3.44Å; S496-R499 PolarHBondContact OG-N 3.18Å; S496-I500 WeakPolarHBondContact O-CB 3.45Å; S496-I500 PolarHBondContact O-N 3.49Å
497	V	81.5	Confident	81.7	Confident	39 Å²	39	45 Å²	45	24%	0.236	25%	0.248	C	C	.	.	H	α-helix	trans	-55.1	-45	171.3	170.2	0	0	0	0	110.2	D86 I88 R499 I500 N501	D86-V497 HydrophobicContact CB-CG2 4.48Å; D86-V497 WeakPolarHBondContact O-CG2 3.07Å; D86-V497 PolarHBondContact O-N 3.37Å; I88-V497 HydrophobicContact CD1-CB 4.41Å; I88-V497 HydrophobicContact CD1-CG2 3.7Å; I88-V497 HydrophobicContact CG1-CG2 3.76Å; V497-R499 PolarHBondContact O-N 2.9Å; V497-I500 PolarHBondContact O-N 2.9Å; V497-N501 WeakPolarHBondContact CG1-ND2 3.39Å; V497-N501 WeakPolarHBondContact O-CB 3.47Å; V497-N501 PolarHBondContact O-N 3.31Å; V497-N501 PolarHBondContact O-ND2 2.93Å
498	D	80.2	Confident	81	Confident	99 Å²	99	45.9 Å²	45.9	53%	0.529	25%	0.246	S	C	.	.	H	α-helix	trans	-60	-44.4	178.5	-71	-18.3	0	0	0	112.1	S496 N501 S502	S496-D498 VanDerWaalsContact C-N 3.26Å; S496-D498 PolarHBondContact O-N 3.06Å; D498-N501 PolarHBondContact O-N 3.46Å; D498-S502 WeakPolarHBondContact O-CB 3.35Å; D498-S502 PolarHBondContact O-N 2.95Å
499	R	82	Confident	80.4	Confident	20 Å²	20	45.9 Å²	45.9	8%	0.075	25%	0.246	C	C	.	.	H	α-helix	trans	-66.9	-41.4	178.5	177.7	57	178.9	145.5	6	111.1	P110 D111 N479 D480 V481 S496 V497 S502 L503	P110-R499 PolarHBondContact O-NH2 2.97Å; D111-R499 IonicContact OD1-CZ 2.67Å; D111-R499 IonicContact OD1-NH1 2.65Å; D111-R499 IonicContact OD1-NH2 3.85Å; D111-R499 PolarHBondContact OD1-NH2 3.09Å; N479-R499 PolarHBondContact ND2-NE 3.34Å; N479-R499 PolarHBondContact ND2-NH2 3.28Å; N479-R499 PolarHBondContact O-NE 3.21Å; D480-R499 HydrophobicContact CB-CB 4.27Å; D480-R499 HydrophobicContact CB-CG 4.28Å; V481-R499 HydrophobicContact CG2-CG 4.11Å; S496-R499 PolarHBondContact O-N 3.26Å; S496-R499 VanDerWaalsContact OG-CB 3.24Å; S496-R499 WeakPolarHBondContact OG-CB 3.44Å; S496-R499 PolarHBondContact OG-N 3.18Å; V497-R499 PolarHBondContact O-N 2.9Å; R499-S502 WeakPolarHBondContact O-CB 3.4Å; R499-S502 PolarHBondContact O-N 3.32Å; R499-L503 HydrophobicContact CG-CD1 4.31Å; R499-L503 WeakPolarHBondContact O-CG 3.27Å; R499-L503 PolarHBondContact O-N 3.09Å
500	I	79.2	Confident	79.7	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.036	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-45.6	175.6	-83.7	166.5	0	0	0	111.4	I88 M131 F132 S496 V497 S502 L503 T504	I88-I500 HydrophobicContact CB-CD1 3.44Å; I88-I500 VanDerWaalsContact CB-CD1 3.44Å; I88-I500 HydrophobicContact CD1-CB 4.28Å; I88-I500 HydrophobicContact CD1-CD1 3.37Å; I88-I500 HydrophobicContact CD1-CG1 4.4Å; I88-I500 HydrophobicContact CD1-CG2 4.07Å; I88-I500 HydrophobicContact CG1-CD1 3.82Å; I88-I500 HydrophobicContact CG2-CD1 3.77Å; M131-I500 HydrophobicContact CE-CG1 3.88Å; F132-I500 HydrophobicContact CE1-CD1 4.49Å; F132-I500 HydrophobicContact CE1-CG2 4.21Å; F132-I500 HydrophobicContact CE2-CG2 3.72Å; F132-I500 HydrophobicContact CZ-CB 4.16Å; F132-I500 HydrophobicContact CZ-CD1 3.96Å; F132-I500 HydrophobicContact CZ-CG1 3.94Å; F132-I500 HydrophobicContact CZ-CG2 3.23Å; S496-I500 WeakPolarHBondContact O-CB 3.45Å; S496-I500 PolarHBondContact O-N 3.49Å; V497-I500 PolarHBondContact O-N 2.9Å; I500-S502 VanDerWaalsContact C-N 3.3Å; I500-S502 PolarHBondContact O-N 3.38Å; I500-L503 WeakPolarHBondContact O-CB 3.46Å; I500-L503 PolarHBondContact O-N 2.66Å; I500-T504 PolarHBondContact O-N 2.63Å; I500-T504 PolarHBondContact O-OG1 2.89Å
501	N	81.5	Confident	78.9	Confident	78 Å²	78	51.4 Å²	51.4	42%	0.417	28%	0.275	S	S	.	.	H	α-helix	trans	-61.9	-42	176.6	-69.7	-21.6	0	0	0	110.6	V497 D498 L503 T504 T505	V497-N501 WeakPolarHBondContact CG1-ND2 3.39Å; V497-N501 WeakPolarHBondContact O-CB 3.47Å; V497-N501 PolarHBondContact O-N 3.31Å; V497-N501 PolarHBondContact O-ND2 2.93Å; D498-N501 PolarHBondContact O-N 3.46Å; N501-L503 PolarHBondContact O-N 2.69Å; N501-T504 PolarHBondContact O-N 3.03Å; N501-T504 PolarHBondContact O-OG1 2.89Å; N501-T504 VanDerWaalsContact O-OG1 3.1Å; N501-T505 WeakPolarHBondContact O-CG2 3.47Å; N501-T505 PolarHBondContact O-N 3.09Å; N501-T505 PolarHBondContact O-OG1 3.06Å
502	S	81.4	Confident	77.9	Confident	64 Å²	64	54.6 Å²	54.6	45%	0.448	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-27.8	173.9	169.3	0	0	0	0	113.6	D498 R499 I500 T505	D498-S502 WeakPolarHBondContact O-CB 3.35Å; D498-S502 PolarHBondContact O-N 2.95Å; R499-S502 WeakPolarHBondContact O-CB 3.4Å; R499-S502 PolarHBondContact O-N 3.32Å; I500-S502 VanDerWaalsContact C-N 3.3Å; I500-S502 PolarHBondContact O-N 3.38Å; S502-T505 PolarHBondContact O-OG1 2.93Å
503	L	76.4	Confident	76.9	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-79.6	-31.1	176.3	-74.2	164.3	0	0	0	112.2	D111 F127 K128 M131 R499 I500 N501	D111-L503 HydrophobicContact CB-CD2 4.22Å; D111-L503 VanDerWaalsContact OD1-CD2 3.26Å; D111-L503 WeakPolarHBondContact OD1-CD2 3.5Å; F127-L503 HydrophobicContact CB-CD1 3.81Å; F127-L503 HydrophobicContact CB-CD2 4.06Å; K128-L503 HydrophobicContact CG-CB 4.32Å; K128-L503 HydrophobicContact CG-CD2 3.77Å; K128-L503 WeakPolarHBondContact CG-O 3.29Å; M131-L503 HydrophobicContact CE-CD1 4.19Å; R499-L503 HydrophobicContact CG-CD1 4.31Å; R499-L503 WeakPolarHBondContact O-CG 3.27Å; R499-L503 PolarHBondContact O-N 3.09Å; I500-L503 WeakPolarHBondContact O-CB 3.46Å; I500-L503 PolarHBondContact O-N 2.66Å; N501-L503 PolarHBondContact O-N 2.69Å
504	T	69.6	Low	75.7	Confident	68 Å²	68	61.6 Å²	61.6	42%	0.417	33%	0.331	S	S	.	.	H	α-helix	trans	-91.2	-24.6	-178	56.6	0	0	0	0	113.5	F132 I500 N501 S506	F132-T504 HydrophobicContact CD2-CG2 4.16Å; F132-T504 HydrophobicContact CE2-CG2 3.85Å; I500-T504 PolarHBondContact O-N 2.63Å; I500-T504 PolarHBondContact O-OG1 2.89Å; N501-T504 PolarHBondContact O-N 3.03Å; N501-T504 PolarHBondContact O-OG1 2.89Å; N501-T504 VanDerWaalsContact O-OG1 3.1Å; T504-S506 PolarHBondContact O-N 3.36Å
505	T	65.4	Low	74.4	Confident	77 Å²	77	66 Å²	66	47%	0.472	36%	0.355	S	S	.	.	S	Bend	trans	-70.6	95.4	169.3	51.1	0	0	0	0	109.1	N501 S502 Y507	N501-T505 WeakPolarHBondContact O-CG2 3.47Å; N501-T505 PolarHBondContact O-N 3.09Å; N501-T505 PolarHBondContact O-OG1 3.06Å; S502-T505 PolarHBondContact O-OG1 2.93Å; T505-Y507 PolarHBondContact O-N 3.11Å
506	S	52.5	Low	73.1	Confident	119 Å²	119	71.3 Å²	71.3	83%	0.832	38%	0.383	S	S	*	.			trans	-60.6	117.4	164.9	25.2	0	0	0	0	109.1	T504	T504-S506 PolarHBondContact O-N 3.36Å
507	Y	43.6	Very low	72.1	Confident	276 Å²	276	77.5 Å²	77.5	100%	1.082	42%	0.416	S	S	*	.			trans	-86.9	0	158	-80.7	-76.5	0	0	0	109.7	T505	T505-Y507 PolarHBondContact O-N 3.11Å

Retrieved 507 of 507 residues in 223 ms (Link to these results)

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