G4LUT6_SCHMA Loading...

F-box and wd40 domain protein, putative

AlphaFold DB , UniProt , Accession G4LUT6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 374 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	37.7	Very low	36.6	Very low	253 Å²	253	142.2 Å²	142.2	100%	1.246	84%	0.84	S	S	*	*				0	94.5	0	-72.8	175.7	177.5	0	0	107.8
2	G	38.2	Very low	37.3	Very low	72 Å²	72	137.2 Å²	137.2	74%	0.742	82%	0.818	S	S	*	*			trans	-128.2	79.1	174.3	0	0	0	0	0	107.4	N4	G2-N4 PolarHBondContact O-N 2.83Å
3	S	38.9	Very low	39.2	Very low	118 Å²	118	131.6 Å²	131.6	83%	0.825	78%	0.781	S	S	*	*			trans	-71	84.5	169.7	54.7	0	0	0	0	107.8	S5	S3-S5 PolarHBondContact O-N 3.33Å
4	N	36.7	Very low	41.7	Very low	157 Å²	157	132.1 Å²	132.1	84%	0.84	78%	0.777	S	S	*	*			trans	-69	95.1	161.8	-86.8	-10.7	0	0	0	106.6	G2 S6	G2-N4 PolarHBondContact O-N 2.83Å; N4-S6 PolarHBondContact O-N 3.31Å
5	S	37.7	Very low	44.7	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	74%	0.741	S	S	*	*			trans	-51.1	107.5	159.4	43.2	0	0	0	0	107	S3 L7	S3-S5 PolarHBondContact O-N 3.33Å; S5-L7 PolarHBondContact O-N 3.31Å
6	S	37.1	Very low	47.7	Very low	114 Å²	114	120.6 Å²	120.6	80%	0.797	71%	0.706	S	S	*	*			trans	-61.3	103.9	167	35.9	0	0	0	0	106.7	N4	N4-S6 PolarHBondContact O-N 3.31Å
7	L	35.4	Very low	50.3	Low	156 Å²	156	117.5 Å²	117.5	82%	0.817	69%	0.685	S	S	*	*			trans	-48.2	132.2	161.2	-87.7	144.5	0	0	0	107.2	S5 K9	S5-L7 PolarHBondContact O-N 3.31Å; L7-K9 PolarHBondContact O-N 2.99Å
8	P	33.2	Very low	52.6	Low	112 Å²	112	113.7 Å²	113.7	73%	0.727	66%	0.659	S	S	*	*			trans	-56.6	119.8	179.9	22.1	-30.4	0	0	0	107.5	L10	P8-L10 PolarHBondContact O-N 2.97Å
9	K	33.3	Very low	54.8	Low	203 Å²	203	111.7 Å²	111.7	88%	0.883	65%	0.645	S	S	*	*			trans	-47.3	112.9	169.7	-77.4	174.9	173.6	177.7	0	106.1	L7 S11	L7-K9 PolarHBondContact O-N 2.99Å; K9-S11 PolarHBondContact O-N 3.44Å
10	L	34.7	Very low	56.8	Low	165 Å²	165	106.5 Å²	106.5	86%	0.864	62%	0.615	S	S	*	*			trans	-46	118.6	161	-106.2	84.8	0	0	0	104.7	P8 S12	P8-L10 PolarHBondContact O-N 2.97Å; L10-S12 PolarHBondContact O-N 3.44Å
11	S	39.7	Very low	58.6	Low	106 Å²	106	104.9 Å²	104.9	74%	0.741	61%	0.611	S	S	*	*			trans	-48.2	112.5	165.8	51.7	0	0	0	0	105.5	K9 N13	K9-S11 PolarHBondContact O-N 3.44Å; S11-N13 PolarHBondContact O-N 3.36Å; S11-N13 VanDerWaalsContact O-N 3.16Å
12	S	44.9	Very low	61.4	Low	82 Å²	82	95.8 Å²	95.8	57%	0.573	57%	0.565	S	S	*	*			trans	-40	128.1	164.3	42.6	0	0	0	0	106.6	L10 I14	L10-S12 PolarHBondContact O-N 3.44Å; S12-I14 WeakPolarHBondContact O-CG1 3.42Å; S12-I14 PolarHBondContact O-N 3.39Å; S12-I14 WeakPolarHBondContact OG-CD1 3.34Å
13	N	61.8	Low	64.2	Low	65 Å²	65	93 Å²	93	35%	0.348	53%	0.532	S	S	.	.			trans	-70.7	56	-170	-157	-1	0	0	0	110.7	S11 D15 L16 W360	S11-N13 PolarHBondContact O-N 3.36Å; S11-N13 VanDerWaalsContact O-N 3.16Å; N13-D15 PolarHBondContact O-N 3.42Å; N13-D15 VanDerWaalsContact O-N 3.08Å; N13-L16 HydrophobicContact CB-CB 4.31Å; N13-L16 PolarHBondContact O-N 3.43Å; N13-W360 WeakPolarHBondContact OD1-CZ3 3.33Å
14	I	74.3	Confident	67	Low	139 Å²	139	92.1 Å²	92.1	71%	0.713	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.2	-173.9	-68.1	160.4	0	0	0	110.3	S12	S12-I14 WeakPolarHBondContact O-CG1 3.42Å; S12-I14 PolarHBondContact O-N 3.39Å; S12-I14 WeakPolarHBondContact OG-CD1 3.34Å
15	D	86.6	Confident	69.9	Low	46 Å²	46	89.1 Å²	89.1	25%	0.246	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-25	178.6	-59	-48	0	0	0	113.5	N13 I17 K328 L330 W360 R361	N13-D15 PolarHBondContact O-N 3.42Å; N13-D15 VanDerWaalsContact O-N 3.08Å; D15-I17 PolarHBondContact O-N 2.96Å; D15-K328 WeakPolarHBondContact OD1-CE 3.25Å; D15-K328 IonicContact OD1-NZ 2.87Å; D15-K328 PolarHBondContact OD1-NZ 3.08Å; D15-K328 WeakPolarHBondContact OD2-CE 3.13Å; D15-K328 IonicContact OD2-NZ 3.82Å; D15-K328 PolarHBondContact OD2-NZ 3.39Å; D15-L330 HydrophobicContact CB-CD2 3.81Å; D15-W360 CarbonylContact O-C 3.48Å; D15-W360 WeakPolarHBondContact O-CA 3.34Å; D15-R361 PolarHBondContact O-N 2.78Å
16	L	92.3	Very high	72.8	Confident	34 Å²	34	84.7 Å²	84.7	18%	0.178	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	118.9	178.3	179.9	60.6	0	0	0	109.7	N13 I19 P333 Y358 W360	N13-L16 HydrophobicContact CB-CB 4.31Å; N13-L16 PolarHBondContact O-N 3.43Å; L16-I19 HydrophobicContact CD1-CG1 4.36Å; L16-I19 HydrophobicContact CD2-CD1 4.1Å; L16-I19 HydrophobicContact CD2-CG1 4.1Å; L16-P333 HydrophobicContact CD2-CG 3.67Å; L16-Y358 HydrophobicContact CD1-CD1 3.96Å; L16-Y358 HydrophobicContact CD2-CD1 4.44Å; L16-W360 HydrophobicContact CB-CE3 3.84Å; L16-W360 HydrophobicContact CB-CH2 4.23Å; L16-W360 HydrophobicContact CB-CZ3 3.59Å; L16-W360 HydrophobicContact CD1-CD2 4.14Å; L16-W360 HydrophobicContact CD1-CE3 4.02Å; L16-W360 HydrophobicContact CD1-CH2 3.82Å; L16-W360 HydrophobicContact CD1-CZ2 3.94Å; L16-W360 HydrophobicContact CD1-CZ3 3.9Å; L16-W360 HydrophobicContact CD2-CH2 4.29Å; L16-W360 HydrophobicContact CD2-CZ3 4.45Å; L16-W360 HydrophobicContact CG-CH2 4.34Å; L16-W360 HydrophobicContact CG-CZ3 4.17Å
17	I	91.8	Very high	75.7	Confident	67 Å²	67	79.3 Å²	79.3	34%	0.344	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-50.6	-174.1	-53.1	173.1	0	0	0	111.2	D15 S59 Y347 I359 R361	D15-I17 PolarHBondContact O-N 2.96Å; I17-S59 VanDerWaalsContact CD1-CB 3.45Å; I17-S59 WeakPolarHBondContact CG2-OG 3.34Å; I17-Y347 HydrophobicContact CD1-CD1 3.56Å; I17-Y347 HydrophobicContact CD1-CE1 3.36Å; I17-I359 PolarHBondContact N-O 3.47Å; I17-R361 HydrophobicContact CD1-CB 4.06Å
18	Q	92.5	Very high	78.7	Confident	49 Å²	49	73.9 Å²	73.9	23%	0.229	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	149.1	-175.1	-172.9	-178.3	-4.7	0	0	110.5	C20 S59 N60 I61 I359	Q18-C20 PolarHBondContact NE2-SG 3.18Å; Q18-C20 VanDerWaalsContact NE2-SG 3.4Å; Q18-S59 PolarHBondContact OE1-O 3.43Å; Q18-N60 VanDerWaalsContact OE1-CA 3.3Å; Q18-I61 PolarHBondContact NE2-O 3.39Å; Q18-I61 VanDerWaalsContact NE2-O 3.11Å; Q18-I359 HydrophobicContact CB-CB 4.27Å; Q18-I359 HydrophobicContact CB-CD1 4.03Å; Q18-I359 HydrophobicContact CB-CG1 4.29Å; Q18-I359 HydrophobicContact CG-CD1 4.47Å; Q18-I359 PolarHBondContact O-N 3.33Å
19	I	94.5	Very high	81.8	Confident	76 Å²	76	69 Å²	69	39%	0.39	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.6	170.2	-54.3	176.8	0	0	0	107.2	L16 P333 K356 Y358	L16-I19 HydrophobicContact CD1-CG1 4.36Å; L16-I19 HydrophobicContact CD2-CD1 4.1Å; L16-I19 HydrophobicContact CD2-CG1 4.1Å; I19-P333 HydrophobicContact CD1-CG 4.27Å; I19-K356 HydrophobicContact CG2-CB 4.23Å; I19-K356 HydrophobicContact CG2-CD 3.67Å; I19-K356 HydrophobicContact CG2-CG 4.34Å; I19-Y358 HydrophobicContact CB-CD1 4.47Å; I19-Y358 HydrophobicContact CB-CE1 4.46Å; I19-Y358 HydrophobicContact CD1-CD1 4.32Å; I19-Y358 HydrophobicContact CD1-CE1 3.95Å; I19-Y358 HydrophobicContact CG1-CD1 3.83Å; I19-Y358 HydrophobicContact CG1-CE1 3.89Å; I19-Y358 HydrophobicContact CG2-CD1 4.19Å; I19-Y358 HydrophobicContact CG2-CE1 3.84Å
20	C	95.1	Very high	84.9	Confident	7 Å²	7	59.6 Å²	59.6	5%	0.047	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.8	178.9	-54.8	0	0	0	0	109.7	Q18 W51 I61 K356 I357	Q18-C20 PolarHBondContact NE2-SG 3.18Å; Q18-C20 VanDerWaalsContact NE2-SG 3.4Å; C20-W51 HydrophobicContact CB-CE3 4.32Å; C20-W51 HydrophobicContact CB-CH2 3.59Å; C20-W51 HydrophobicContact CB-CZ2 4.5Å; C20-W51 HydrophobicContact CB-CZ3 3.52Å; C20-I61 VanDerWaalsContact SG-CG1 3.5Å; C20-K356 CarbonylContact O-C 3.57Å; C20-K356 VanDerWaalsContact O-CA 3.24Å; C20-K356 WeakPolarHBondContact O-CA 3.48Å; C20-I357 HydrophobicContact CB-CB 4.19Å; C20-I357 PolarHBondContact N-O 2.87Å; C20-I357 PolarHBondContact O-N 2.89Å
21	S	94.4	Very high	87.9	Confident	74 Å²	74	52 Å²	52	52%	0.517	30%	0.301	S	S	.	.			trans	-130.3	63.6	-168.8	58.2	0	0	0	0	112.1
22	E	96.2	Very high	90.6	Very high	61 Å²	61	48.6 Å²	48.6	29%	0.285	27%	0.273	S	S	.	.			trans	-94.9	-21.5	179.5	-64.4	-71.5	105.2	0	0	112.8	W51 C63 R66	E22-W51 HydrophobicContact CB-CH2 3.49Å; E22-W51 VanDerWaalsContact CB-CH2 3.49Å; E22-W51 HydrophobicContact CB-CZ2 3.91Å; E22-W51 HydrophobicContact CB-CZ3 4.36Å; E22-W51 HydrophobicContact CG-CH2 3.11Å; E22-W51 HydrophobicContact CG-CZ2 3.96Å; E22-W51 HydrophobicContact CG-CZ3 3.51Å; E22-C63 HydrophobicContact CG-CB 3.84Å; E22-R66 VanDerWaalsContact O-CZ 3.32Å; E22-R66 PolarHBondContact O-NH1 3.32Å; E22-R66 PolarHBondContact O-NH2 2.63Å; E22-R66 VanDerWaalsContact O-NH2 3.17Å; E22-R66 IonicContact OE1-NH2 3.83Å; E22-R66 PolarHBondContact OE1-NH2 2.92Å; E22-R66 IonicContact OE2-CZ 3.43Å; E22-R66 IonicContact OE2-NE 2.75Å; E22-R66 PolarHBondContact OE2-NE 3.25Å; E22-R66 IonicContact OE2-NH2 3.84Å; E22-R66 PolarHBondContact OE2-NH2 2.93Å
23	H	97.3	Very high	93	Very high	13 Å²	13	45.5 Å²	45.5	6%	0.06	25%	0.25	C	C	.	.			trans	-92.3	145.2	178.3	-69.6	-71	0	0	0	112	I27 S41 S43 D45 I47 C49 G355	H23-I27 HydrophobicContact CB-CG1 4.32Å; H23-S41 PolarHBondContact CD2-OG 3.03Å; H23-S41 PolarHBondContact NE2-O 3.16Å; H23-S41 PolarHBondContact NE2-OG 3.49Å; H23-S43 WeakPolarHBondContact ND1-CB 3.31Å; H23-D45 WeakPolarHBondContact CA-OD2 3.34Å; H23-D45 WeakPolarHBondContact CB-OD2 3.44Å; H23-D45 IonicContact CE1-OD1 3.81Å; H23-D45 IonicContact CG-OD2 2.72Å; H23-D45 IonicContact ND1-OD1 3.69Å; H23-D45 PolarHBondContact ND1-OD1 2.79Å; H23-D45 IonicContact ND1-OD2 3.63Å; H23-D45 PolarHBondContact ND1-OD2 3.06Å; H23-I47 PolarHBondContact CE1-O 2.93Å; H23-I47 VanDerWaalsContact CE1-O 3.24Å; H23-C49 PolarHBondContact CE1-SG 3.06Å; H23-C49 PolarHBondContact NE2-SG 2.95Å; H23-C49 VanDerWaalsContact NE2-SG 3.45Å; H23-G355 WeakPolarHBondContact CB-O 3.1Å
24	S	96.9	Very high	94.5	Very high	100 Å²	100	48.5 Å²	48.5	70%	0.699	26%	0.262	S	S	*	.	S	Bend	trans	-92.7	-10.2	176.5	55.9	0	0	0	0	113.5	D45	S24-D45 PolarHBondContact N-OD2 3.25Å; S24-D45 VanDerWaalsContact N-OD2 3.13Å
25	M	98	Very high	95.3	Very high	94 Å²	94	50.1 Å²	50.1	46%	0.463	26%	0.263	S	S	.	.	S	Bend	trans	-137.4	172.4	-179.4	-60.5	-175.3	69.5	0	0	111.2	I27 S43 D44 D45 G355	M25-I27 PolarHBondContact O-N 3.31Å; M25-S43 PolarHBondContact O-OG 3.27Å; M25-D44 HydrophobicContact CB-CB 3.71Å; M25-D44 HydrophobicContact CE-CB 3.86Å; M25-D44 HydrophobicContact SD-CB 4.22Å; M25-D45 HydrophobicContact CB-CB 4.16Å; M25-D45 HydrophobicContact CG-CB 4.15Å; M25-D45 HydrophobicContact SD-CB 4.38Å; M25-G355 WeakPolarHBondContact O-CA 3.49Å
26	S	98	Very high	95.6	Very high	16 Å²	16	50.2 Å²	50.2	11%	0.112	26%	0.264	C	S	.	.			trans	-43.5	133.6	-179.5	179.2	0	0	0	0	113.9	S43 D44 N353	S26-S43 CarbonylContact O-C 3.6Å; S26-S43 WeakPolarHBondContact O-CA 3.22Å; S26-S43 WeakPolarHBondContact O-CB 3.24Å; S26-S43 PolarHBondContact O-OG 2.92Å; S26-D44 PolarHBondContact O-N 3.12Å; S26-N353 VanDerWaalsContact CA-O 3.28Å; S26-N353 WeakPolarHBondContact CA-O 3.32Å; S26-N353 PolarHBondContact N-O 3.33Å; S26-N353 PolarHBondContact OG-OD1 2.87Å
27	I	98.6	Very high	95.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	118	171.7	-61.6	174.5	0	0	0	108.8	H23 M25 L30 V339 A351 S352 I357	H23-I27 HydrophobicContact CB-CG1 4.32Å; M25-I27 PolarHBondContact O-N 3.31Å; I27-L30 HydrophobicContact CG2-CD2 4.03Å; I27-V339 WeakPolarHBondContact O-CG2 3.3Å; I27-A351 HydrophobicContact CB-CB 3.89Å; I27-A351 HydrophobicContact CG2-CB 3.55Å; I27-S352 PolarHBondContact N-O 3.44Å; I27-S352 VanDerWaalsContact N-O 3.14Å; I27-I357 HydrophobicContact CD1-CD1 4.36Å; I27-I357 HydrophobicContact CD1-CG1 3.49Å; I27-I357 VanDerWaalsContact CD1-CG1 3.49Å
28	N	98.2	Very high	95.9	Very high	42 Å²	42	46.2 Å²	46.2	23%	0.225	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-32	-174.8	-63.5	-29.7	0	0	0	113.1	G42 D44 I74	N28-G42 PolarHBondContact N-O 3.29Å; N28-D44 PolarHBondContact ND2-N 3.33Å; N28-D44 PolarHBondContact ND2-OD1 2.83Å; N28-D44 PolarHBondContact OD1-OD1 2.93Å; N28-I74 VanDerWaalsContact CB-O 3.29Å; N28-I74 WeakPolarHBondContact CB-O 3.25Å; N28-I74 PolarHBondContact ND2-O 3.33Å
29	C	98.2	Very high	96.1	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.074	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	151	-174.2	57.8	0	0	0	0	112.2	S41 G42	C29-S41 WeakPolarHBondContact O-CA 3.01Å; C29-G42 PolarHBondContact N-O 3.15Å; C29-G42 PolarHBondContact O-N 3.02Å
30	L	98.5	Very high	96.3	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144.6	169.5	-59.2	173.4	0	0	0	109.7	I27 L39 A40 S41 M340 K342 F349 A351 I357	I27-L30 HydrophobicContact CG2-CD2 4.03Å; L30-L39 HydrophobicContact CB-CD1 4.21Å; L30-L39 HydrophobicContact CD2-CD1 4.46Å; L30-A40 CarbonylContact C-O 3.5Å; L30-A40 VanDerWaalsContact CA-O 3.24Å; L30-A40 WeakPolarHBondContact CA-O 3.21Å; L30-S41 VanDerWaalsContact CD2-CB 3.48Å; L30-M340 HydrophobicContact CB-CE 4.42Å; L30-M340 HydrophobicContact CB-SD 3.47Å; L30-M340 WeakPolarHBondContact CB-SD 3.33Å; L30-M340 HydrophobicContact CD1-SD 3.79Å; L30-M340 HydrophobicContact CG-SD 3.6Å; L30-M340 VanDerWaalsContact CG-SD 3.6Å; L30-M340 PolarHBondContact N-SD 3.22Å; L30-K342 HydrophobicContact CB-CG 3.76Å; L30-K342 HydrophobicContact CD1-CG 4.38Å; L30-K342 WeakPolarHBondContact O-CE 3.44Å; L30-F349 HydrophobicContact CD1-CB 4.48Å; L30-F349 WeakPolarHBondContact CD1-O 3.29Å; L30-A351 HydrophobicContact CD1-CB 3.85Å; L30-A351 HydrophobicContact CD2-CB 4.33Å; L30-A351 HydrophobicContact CG-CB 3.91Å; L30-I357 HydrophobicContact CD2-CD1 4.02Å; L30-I357 HydrophobicContact CD2-CG1 4.38Å
31	A	98	Very high	96.5	Very high	6 Å²	6	40 Å²	40	5%	0.05	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148.7	167.7	0	0	0	0	0	109.4	L39 A40 L77 F79 L84	A31-L39 CarbonylContact O-C 3.56Å; A31-L39 WeakPolarHBondContact O-CA 3.35Å; A31-L39 WeakPolarHBondContact O-CD1 3.4Å; A31-A40 PolarHBondContact N-O 2.83Å; A31-A40 PolarHBondContact O-N 2.8Å; A31-L77 HydrophobicContact CB-CB 3.73Å; A31-L77 WeakPolarHBondContact CB-O 3.39Å; A31-F79 HydrophobicContact CB-CD2 3.68Å; A31-F79 HydrophobicContact CB-CE2 3.82Å; A31-F79 WeakPolarHBondContact O-CE2 3.34Å; A31-L84 HydrophobicContact CB-CD1 4.35Å
32	F	96.7	Very high	96.7	Very high	34 Å²	34	36.4 Å²	36.4	15%	0.149	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.1	178.6	-164	-95	0	0	0	110.1	E34 I38 L39 L53 F79 K342 Y344 F349	F32-E34 HydrophobicContact CD1-CB 4.38Å; F32-E34 HydrophobicContact CD1-CG 3.59Å; F32-E34 HydrophobicContact CE1-CB 4.24Å; F32-E34 HydrophobicContact CE1-CG 3.74Å; F32-I38 CarbonylContact C-O 3.44Å; F32-I38 WeakPolarHBondContact CA-O 3.38Å; F32-L39 HydrophobicContact CB-CD1 4.46Å; F32-L39 HydrophobicContact CD2-CB 3.87Å; F32-L39 HydrophobicContact CD2-CD1 3.79Å; F32-L39 HydrophobicContact CD2-CG 4.46Å; F32-L39 HydrophobicContact CE2-CB 4.19Å; F32-L53 HydrophobicContact CE2-CD1 3.74Å; F32-L53 HydrophobicContact CE2-CD2 3.63Å; F32-L53 HydrophobicContact CE2-CG 4.35Å; F32-L53 HydrophobicContact CZ-CD1 4.35Å; F32-L53 HydrophobicContact CZ-CD2 3.59Å; F32-F79 VanDerWaalsContact C-CD2 3.49Å; F32-K342 HydrophobicContact CB-CG 4.48Å; F32-Y344 HydrophobicContact CD1-CD2 4.25Å; F32-Y344 HydrophobicContact CD1-CG 4.47Å; F32-Y344 HydrophobicContact CE1-CD1 4.16Å; F32-Y344 AromaticContact CE1-CD2 3.38Å; F32-Y344 HydrophobicContact CE1-CD2 3.38Å; F32-Y344 HydrophobicContact CE1-CE2 4.01Å; F32-Y344 AromaticContact CE1-CG 3.46Å; F32-Y344 HydrophobicContact CE1-CG 3.46Å; F32-Y344 VanDerWaalsContact CE1-CG 3.46Å; F32-Y344 AromaticContact CZ-CD1 3.84Å; F32-Y344 HydrophobicContact CZ-CD1 3.84Å; F32-Y344 AromaticContact CZ-CD2 3.93Å; F32-Y344 HydrophobicContact CZ-CD2 3.93Å; F32-Y344 AromaticContact CZ-CG 3.5Å; F32-Y344 HydrophobicContact CZ-CG 3.5Å; F32-F349 HydrophobicContact CE2-CE2 4.39Å
33	N	96.2	Very high	96.8	Very high	17 Å²	17	33.5 Å²	33.5	9%	0.091	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	100.9	173.2	-177.1	-21.3	0	0	0	108.2	K35 N36 L37 I38 F79	N33-K35 VanDerWaalsContact C-N 3.34Å; N33-K35 PolarHBondContact O-N 2.8Å; N33-K35 WeakPolarHBondContact OD1-CB 3.34Å; N33-K35 PolarHBondContact OD1-N 3.36Å; N33-N36 PolarHBondContact ND2-ND2 3.44Å; N33-N36 PolarHBondContact O-N 2.93Å; N33-N36 PolarHBondContact OD1-N 2.92Å; N33-L37 WeakPolarHBondContact O-CA 3.41Å; N33-L37 PolarHBondContact O-N 3.39Å; N33-I38 HydrophobicContact CB-CB 4.34Å; N33-I38 PolarHBondContact N-O 2.8Å; N33-I38 PolarHBondContact O-N 3.4Å; N33-I38 VanDerWaalsContact O-N 3.08Å; N33-F79 HydrophobicContact CB-CB 4.2Å; N33-F79 HydrophobicContact CB-CD1 3.92Å; N33-F79 HydrophobicContact CB-CD2 3.72Å; N33-F79 HydrophobicContact CB-CE1 4.16Å; N33-F79 HydrophobicContact CB-CE2 3.97Å; N33-F79 HydrophobicContact CB-CG 3.69Å; N33-F79 HydrophobicContact CB-CZ 4.18Å
34	E	92.6	Very high	96.9	Very high	128 Å²	128	35.8 Å²	35.8	60%	0.598	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-36.3	-177.1	-60.9	-177.9	-174.9	0	0	112.8	F32 N36 L37 Y344	F32-E34 HydrophobicContact CD1-CB 4.38Å; F32-E34 HydrophobicContact CD1-CG 3.59Å; F32-E34 HydrophobicContact CE1-CB 4.24Å; F32-E34 HydrophobicContact CE1-CG 3.74Å; E34-N36 VanDerWaalsContact C-N 3.31Å; E34-N36 PolarHBondContact O-N 2.79Å; E34-L37 WeakPolarHBondContact O-CD2 3.37Å; E34-L37 PolarHBondContact O-N 3.42Å; E34-Y344 HydrophobicContact CB-CD2 4.41Å; E34-Y344 HydrophobicContact CB-CE2 3.98Å; E34-Y344 HydrophobicContact CG-CD2 3.87Å; E34-Y344 HydrophobicContact CG-CE2 3.92Å
35	K	92.1	Very high	96.9	Very high	172 Å²	172	32.6 Å²	32.6	75%	0.748	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-42.2	-179.1	-178.4	-174	174	-170.5	0	111.8	N33	N33-K35 VanDerWaalsContact C-N 3.34Å; N33-K35 PolarHBondContact O-N 2.8Å; N33-K35 WeakPolarHBondContact OD1-CB 3.34Å; N33-K35 PolarHBondContact OD1-N 3.36Å
36	N	92.4	Very high	97	Very high	49 Å²	49	28.4 Å²	28.4	26%	0.262	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-2.3	-176.2	-61.2	-32.1	0	0	0	113.1	N33 E34 I38 Q52 F98	N33-N36 PolarHBondContact ND2-ND2 3.44Å; N33-N36 PolarHBondContact O-N 2.93Å; N33-N36 PolarHBondContact OD1-N 2.92Å; E34-N36 VanDerWaalsContact C-N 3.31Å; E34-N36 PolarHBondContact O-N 2.79Å; N36-I38 HydrophobicContact CB-CD1 3.73Å; N36-I38 HydrophobicContact CB-CG1 3.95Å; N36-I38 PolarHBondContact O-N 3.31Å; N36-Q52 PolarHBondContact O-NE2 2.62Å; N36-F98 VanDerWaalsContact ND2-CZ 3.31Å; N36-F98 WeakPolarHBondContact ND2-CZ 3.32Å
37	L	94.1	Very high	97	Very high	14 Å²	14	29 Å²	29	7%	0.073	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	49.2	-175.4	-57	178.3	0	0	0	112.9	N33 E34 Q52 L53 L55 L58 Y344	N33-L37 WeakPolarHBondContact O-CA 3.41Å; N33-L37 PolarHBondContact O-N 3.39Å; E34-L37 WeakPolarHBondContact O-CD2 3.37Å; E34-L37 PolarHBondContact O-N 3.42Å; L37-Q52 PolarHBondContact O-NE2 2.72Å; L37-Q52 VanDerWaalsContact O-NE2 3.14Å; L37-L53 HydrophobicContact CB-CB 4.09Å; L37-L53 WeakPolarHBondContact O-CB 3.43Å; L37-L53 PolarHBondContact O-N 3.45Å; L37-L55 HydrophobicContact CD1-CD2 3.18Å; L37-L55 HydrophobicContact CD1-CG 3.71Å; L37-L58 HydrophobicContact CD1-CD2 4.12Å; L37-L58 HydrophobicContact CD2-CD2 4.45Å; L37-Y344 HydrophobicContact CD2-CD1 4.28Å; L37-Y344 HydrophobicContact CD2-CE1 3.39Å; L37-Y344 HydrophobicContact CD2-CE2 4.19Å; L37-Y344 VanDerWaalsContact CD2-OH 3.26Å; L37-Y344 WeakPolarHBondContact CD2-OH 3.5Å
38	I	95.7	Very high	97	Very high	3 Å²	3	29 Å²	29	2%	0.015	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.5	-178.8	-60.4	173.6	0	0	0	109.2	F32 N33 N36 I50 W51 Q52 F79 F98	F32-I38 CarbonylContact C-O 3.44Å; F32-I38 WeakPolarHBondContact CA-O 3.38Å; N33-I38 HydrophobicContact CB-CB 4.34Å; N33-I38 PolarHBondContact N-O 2.8Å; N33-I38 PolarHBondContact O-N 3.4Å; N33-I38 VanDerWaalsContact O-N 3.08Å; N36-I38 HydrophobicContact CB-CD1 3.73Å; N36-I38 HydrophobicContact CB-CG1 3.95Å; N36-I38 PolarHBondContact O-N 3.31Å; I38-I50 HydrophobicContact CG2-CG2 3.48Å; I38-I50 VanDerWaalsContact CG2-CG2 3.48Å; I38-W51 WeakPolarHBondContact CA-O 3.49Å; I38-Q52 VanDerWaalsContact CG1-OE1 3.31Å; I38-F79 HydrophobicContact CB-CZ 4.23Å; I38-F79 HydrophobicContact CG2-CE1 4.23Å; I38-F79 HydrophobicContact CG2-CZ 3.68Å; I38-F98 HydrophobicContact CD1-CD2 3.4Å; I38-F98 VanDerWaalsContact CD1-CD2 3.4Å; I38-F98 HydrophobicContact CD1-CE2 3.54Å; I38-F98 HydrophobicContact CD1-CG 4.34Å
39	L	97.5	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	143.1	164.4	180	77.2	0	0	0	108.3	L30 A31 F32 W51 L53 I61 K342 F349 I357	L30-L39 HydrophobicContact CB-CD1 4.21Å; L30-L39 HydrophobicContact CD2-CD1 4.46Å; A31-L39 CarbonylContact O-C 3.56Å; A31-L39 WeakPolarHBondContact O-CA 3.35Å; A31-L39 WeakPolarHBondContact O-CD1 3.4Å; F32-L39 HydrophobicContact CB-CD1 4.46Å; F32-L39 HydrophobicContact CD2-CB 3.87Å; F32-L39 HydrophobicContact CD2-CD1 3.79Å; F32-L39 HydrophobicContact CD2-CG 4.46Å; F32-L39 HydrophobicContact CE2-CB 4.19Å; L39-W51 HydrophobicContact CB-CB 4.17Å; L39-W51 PolarHBondContact N-O 3.03Å; L39-W51 VanDerWaalsContact O-CD1 3.32Å; L39-W51 PolarHBondContact O-N 2.84Å; L39-L53 HydrophobicContact CB-CD1 4.05Å; L39-I61 HydrophobicContact CD2-CD1 4.13Å; L39-K342 HydrophobicContact CD1-CB 4.33Å; L39-K342 HydrophobicContact CD1-CG 4.35Å; L39-F349 HydrophobicContact CD2-CB 4.09Å; L39-F349 HydrophobicContact CD2-CD1 3.9Å; L39-F349 HydrophobicContact CD2-CG 4.1Å; L39-I357 HydrophobicContact CD2-CD1 3.93Å; L39-I357 HydrophobicContact CD2-CG2 4.31Å
40	A	98.6	Very high	97	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	141.1	168.5	0	0	0	0	0	109.8	L30 A31 C49 I50 L77 F79 L84	L30-A40 CarbonylContact C-O 3.5Å; L30-A40 VanDerWaalsContact CA-O 3.24Å; L30-A40 WeakPolarHBondContact CA-O 3.21Å; A31-A40 PolarHBondContact N-O 2.83Å; A31-A40 PolarHBondContact O-N 2.8Å; A40-C49 CarbonylContact C-O 3.43Å; A40-C49 VanDerWaalsContact CA-O 3.28Å; A40-C49 WeakPolarHBondContact CA-O 3.44Å; A40-I50 HydrophobicContact CB-CD1 3.86Å; A40-L77 HydrophobicContact CB-CD1 4.05Å; A40-F79 HydrophobicContact CB-CE2 3.88Å; A40-F79 HydrophobicContact CB-CZ 3.72Å; A40-L84 HydrophobicContact CB-CD1 3.98Å; A40-L84 HydrophobicContact CB-CD2 3.74Å
41	S	98.7	Very high	96.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.5	175.5	60.2	0	0	0	0	111.4	H23 C29 L30 I48 C49 W51 L77	H23-S41 PolarHBondContact CD2-OG 3.03Å; H23-S41 PolarHBondContact NE2-O 3.16Å; H23-S41 PolarHBondContact NE2-OG 3.49Å; C29-S41 WeakPolarHBondContact O-CA 3.01Å; L30-S41 VanDerWaalsContact CD2-CB 3.48Å; S41-I48 CarbonylContact O-C 3.45Å; S41-I48 WeakPolarHBondContact O-CA 3.46Å; S41-I48 WeakPolarHBondContact O-CG2 3.4Å; S41-C49 PolarHBondContact N-O 3.23Å; S41-C49 PolarHBondContact O-N 2.81Å; S41-W51 PolarHBondContact OG-NE1 3.35Å; S41-L77 VanDerWaalsContact C-CD1 3.43Å
42	G	98.7	Very high	96.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.6	177.3	0	0	0	0	0	110.4	N28 C29 L77	N28-G42 PolarHBondContact N-O 3.29Å; C29-G42 PolarHBondContact N-O 3.15Å; C29-G42 PolarHBondContact O-N 3.02Å; G42-L77 VanDerWaalsContact N-CD1 3.29Å
43	S	98.7	Very high	96.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	166.6	-169.9	168.8	0	0	0	0	113.3	H23 M25 S26 D45 G46 I47 I74	H23-S43 WeakPolarHBondContact ND1-CB 3.31Å; M25-S43 PolarHBondContact O-OG 3.27Å; S26-S43 CarbonylContact O-C 3.6Å; S26-S43 WeakPolarHBondContact O-CA 3.22Å; S26-S43 WeakPolarHBondContact O-CB 3.24Å; S26-S43 PolarHBondContact O-OG 2.92Å; S43-D45 WeakPolarHBondContact CB-OD1 3.4Å; S43-D45 PolarHBondContact O-N 2.74Å; S43-D45 VanDerWaalsContact OG-CG 3.26Å; S43-D45 PolarHBondContact OG-N 3.43Å; S43-D45 PolarHBondContact OG-OD1 3.33Å; S43-D45 PolarHBondContact OG-OD2 2.99Å; S43-G46 PolarHBondContact O-N 3.15Å; S43-I47 PolarHBondContact N-O 2.8Å; S43-I74 PolarHBondContact O-N 3.49Å
44	D	98.5	Very high	96.2	Very high	60 Å²	60	30.1 Å²	30.1	32%	0.321	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.5	168.1	-83.7	-11.1	0	0	0	113.8	M25 S26 N28 G46 Y73	M25-D44 HydrophobicContact CB-CB 3.71Å; M25-D44 HydrophobicContact CE-CB 3.86Å; M25-D44 HydrophobicContact SD-CB 4.22Å; S26-D44 PolarHBondContact O-N 3.12Å; N28-D44 PolarHBondContact ND2-N 3.33Å; N28-D44 PolarHBondContact ND2-OD1 2.83Å; N28-D44 PolarHBondContact OD1-OD1 2.93Å; D44-G46 PolarHBondContact O-N 2.85Å; D44-Y73 VanDerWaalsContact OD1-CB 3.31Å; D44-Y73 WeakPolarHBondContact OD1-CB 3.34Å
45	D	98.2	Very high	95.6	Very high	34 Å²	34	30.7 Å²	30.7	18%	0.182	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-4.2	175.1	64.6	16.4	0	0	0	113.7	H23 S24 M25 S43 I47	H23-D45 WeakPolarHBondContact CA-OD2 3.34Å; H23-D45 WeakPolarHBondContact CB-OD2 3.44Å; H23-D45 IonicContact CE1-OD1 3.81Å; H23-D45 IonicContact CG-OD2 2.72Å; H23-D45 IonicContact ND1-OD1 3.69Å; H23-D45 PolarHBondContact ND1-OD1 2.79Å; H23-D45 IonicContact ND1-OD2 3.63Å; H23-D45 PolarHBondContact ND1-OD2 3.06Å; S24-D45 PolarHBondContact N-OD2 3.25Å; S24-D45 VanDerWaalsContact N-OD2 3.13Å; M25-D45 HydrophobicContact CB-CB 4.16Å; M25-D45 HydrophobicContact CG-CB 4.15Å; M25-D45 HydrophobicContact SD-CB 4.38Å; S43-D45 WeakPolarHBondContact CB-OD1 3.4Å; S43-D45 PolarHBondContact O-N 2.74Å; S43-D45 VanDerWaalsContact OG-CG 3.26Å; S43-D45 PolarHBondContact OG-N 3.43Å; S43-D45 PolarHBondContact OG-OD1 3.33Å; S43-D45 PolarHBondContact OG-OD2 2.99Å; D45-I47 PolarHBondContact O-N 2.95Å; D45-I47 WeakPolarHBondContact OD1-CA 2.94Å; D45-I47 VanDerWaalsContact OD1-CB 3.24Å; D45-I47 WeakPolarHBondContact OD1-CB 3.47Å; D45-I47 PolarHBondContact OD1-N 2.98Å
46	G	98.2	Very high	95.1	Very high	5 Å²	5	30.4 Å²	30.4	5%	0.052	16%	0.159	C	C	.	.	S	Bend	trans	76	8.2	-178.7	0	0	0	0	0	114.3	S43 D44 G72	S43-G46 PolarHBondContact O-N 3.15Å; D44-G46 PolarHBondContact O-N 2.85Å; G46-G72 VanDerWaalsContact CA-O 3.26Å; G46-G72 WeakPolarHBondContact CA-O 3.41Å
47	I	98.6	Very high	94.6	Very high	28 Å²	28	31.1 Å²	31.1	14%	0.144	16%	0.163	C	C	.	.			trans	-99	148.6	178.3	-57.9	171.7	0	0	0	109.2	H23 S43 D45 R66	H23-I47 PolarHBondContact CE1-O 2.93Å; H23-I47 VanDerWaalsContact CE1-O 3.24Å; S43-I47 PolarHBondContact N-O 2.8Å; D45-I47 PolarHBondContact O-N 2.95Å; D45-I47 WeakPolarHBondContact OD1-CA 2.94Å; D45-I47 VanDerWaalsContact OD1-CB 3.24Å; D45-I47 WeakPolarHBondContact OD1-CB 3.47Å; D45-I47 PolarHBondContact OD1-N 2.98Å; I47-R66 HydrophobicContact CG2-CB 4.28Å
48	I	98.8	Very high	93.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.3	166.8	-57.1	158.8	0	0	0	108.4	S41 I50 L67 I74 L77 L84 S86 W96	S41-I48 CarbonylContact O-C 3.45Å; S41-I48 WeakPolarHBondContact O-CA 3.46Å; S41-I48 WeakPolarHBondContact O-CG2 3.4Å; I48-I50 HydrophobicContact CG2-CD1 4.2Å; I48-L67 HydrophobicContact CB-CB 4.07Å; I48-L67 HydrophobicContact CB-CD1 4.18Å; I48-L67 HydrophobicContact CB-CG 4.28Å; I48-L67 HydrophobicContact CG2-CD1 4.04Å; I48-L67 HydrophobicContact CG2-CG 4.48Å; I48-L67 PolarHBondContact N-O 2.96Å; I48-L67 VanDerWaalsContact N-O 3.14Å; I48-L67 PolarHBondContact O-N 2.79Å; I48-I74 HydrophobicContact CD1-CD1 4.14Å; I48-I74 HydrophobicContact CG1-CD1 3.91Å; I48-I74 HydrophobicContact CG1-CG1 3.83Å; I48-I74 HydrophobicContact CG1-CG2 4.32Å; I48-L77 HydrophobicContact CD1-CD2 3.85Å; I48-L77 HydrophobicContact CG1-CD2 4.06Å; I48-L77 HydrophobicContact CG2-CD1 4.05Å; I48-L77 HydrophobicContact CG2-CD2 4.04Å; I48-L84 HydrophobicContact CG2-CD2 3.78Å; I48-S86 WeakPolarHBondContact CD1-OG 3.33Å; I48-W96 HydrophobicContact CD1-CZ2 4.11Å
49	C	98.5	Very high	93	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.2	172.5	-63.2	0	0	0	0	110.4	H23 A40 S41 W51 H65	H23-C49 PolarHBondContact CE1-SG 3.06Å; H23-C49 PolarHBondContact NE2-SG 2.95Å; H23-C49 VanDerWaalsContact NE2-SG 3.45Å; A40-C49 CarbonylContact C-O 3.43Å; A40-C49 VanDerWaalsContact CA-O 3.28Å; A40-C49 WeakPolarHBondContact CA-O 3.44Å; S41-C49 PolarHBondContact N-O 3.23Å; S41-C49 PolarHBondContact O-N 2.81Å; C49-W51 HydrophobicContact CB-CD2 4.46Å; C49-W51 HydrophobicContact CB-CZ2 3.64Å; C49-W51 PolarHBondContact O-NE1 3.41Å; C49-H65 WeakPolarHBondContact CA-O 3.31Å
50	I	98.2	Very high	92.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.5	173.7	-53.3	-57.9	0	0	0	108.2	I38 A40 I48 C63 T64 H65 L67 L84 F98	I38-I50 HydrophobicContact CG2-CG2 3.48Å; I38-I50 VanDerWaalsContact CG2-CG2 3.48Å; A40-I50 HydrophobicContact CB-CD1 3.86Å; I48-I50 HydrophobicContact CG2-CD1 4.2Å; I50-C63 CarbonylContact O-C 3.56Å; I50-C63 WeakPolarHBondContact O-CA 3.45Å; I50-T64 PolarHBondContact O-N 2.89Å; I50-T64 PolarHBondContact O-OG1 3.41Å; I50-T64 VanDerWaalsContact O-OG1 3.11Å; I50-H65 HydrophobicContact CB-CB 4.11Å; I50-H65 HydrophobicContact CG1-CB 4.05Å; I50-H65 PolarHBondContact N-O 2.81Å; I50-L67 HydrophobicContact CD1-CD1 3.93Å; I50-L67 HydrophobicContact CD1-CG 4.5Å; I50-L67 HydrophobicContact CG1-CD1 4.03Å; I50-L67 HydrophobicContact CG1-CD2 4.3Å; I50-L67 HydrophobicContact CG1-CG 4.13Å; I50-L84 HydrophobicContact CD1-CD2 3.45Å; I50-L84 VanDerWaalsContact CD1-CD2 3.45Å; I50-F98 HydrophobicContact CD1-CB 4.4Å; I50-F98 HydrophobicContact CG2-CB 4.48Å
51	W	97.2	Very high	92	Very high	6 Å²	6	36 Å²	36	2%	0.023	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118.9	-174.6	-44.9	83.1	0	0	0	109.5	C20 E22 I38 L39 S41 C49 I61 I62 C63 I357	C20-W51 HydrophobicContact CB-CE3 4.32Å; C20-W51 HydrophobicContact CB-CH2 3.59Å; C20-W51 HydrophobicContact CB-CZ2 4.5Å; C20-W51 HydrophobicContact CB-CZ3 3.52Å; E22-W51 HydrophobicContact CB-CH2 3.49Å; E22-W51 VanDerWaalsContact CB-CH2 3.49Å; E22-W51 HydrophobicContact CB-CZ2 3.91Å; E22-W51 HydrophobicContact CB-CZ3 4.36Å; E22-W51 HydrophobicContact CG-CH2 3.11Å; E22-W51 HydrophobicContact CG-CZ2 3.96Å; E22-W51 HydrophobicContact CG-CZ3 3.51Å; I38-W51 WeakPolarHBondContact CA-O 3.49Å; L39-W51 HydrophobicContact CB-CB 4.17Å; L39-W51 PolarHBondContact N-O 3.03Å; L39-W51 VanDerWaalsContact O-CD1 3.32Å; L39-W51 PolarHBondContact O-N 2.84Å; S41-W51 PolarHBondContact OG-NE1 3.35Å; C49-W51 HydrophobicContact CB-CD2 4.46Å; C49-W51 HydrophobicContact CB-CZ2 3.64Å; C49-W51 PolarHBondContact O-NE1 3.41Å; W51-I61 HydrophobicContact CB-CB 4.32Å; W51-I61 HydrophobicContact CB-CD1 3.89Å; W51-I61 HydrophobicContact CB-CG1 4.3Å; W51-I61 HydrophobicContact CD2-CD1 4.04Å; W51-I61 HydrophobicContact CE3-CD1 3.93Å; W51-I61 HydrophobicContact CE3-CG1 4.01Å; W51-I61 HydrophobicContact CG-CD1 4.06Å; W51-I62 CarbonylContact C-O 3.59Å; W51-I62 VanDerWaalsContact CA-O 3.27Å; W51-I62 WeakPolarHBondContact CA-O 3.48Å; W51-C63 HydrophobicContact CD2-CB 4.44Å; W51-C63 HydrophobicContact CE3-CB 3.79Å; W51-C63 HydrophobicContact CH2-CB 4.49Å; W51-C63 HydrophobicContact CZ3-CB 3.81Å; W51-I357 HydrophobicContact CD2-CD1 4.33Å; W51-I357 HydrophobicContact CZ2-CD1 3.73Å
52	Q	94.9	Very high	91.7	Very high	61 Å²	61	41 Å²	41	29%	0.285	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126.7	173.3	-175.6	64.4	51.4	0	0	108.7	N36 L37 I38 I61 I62 T64	N36-Q52 PolarHBondContact O-NE2 2.62Å; L37-Q52 PolarHBondContact O-NE2 2.72Å; L37-Q52 VanDerWaalsContact O-NE2 3.14Å; I38-Q52 VanDerWaalsContact CG1-OE1 3.31Å; Q52-I61 WeakPolarHBondContact O-CA 3.37Å; Q52-I62 HydrophobicContact CB-CG1 4.13Å; Q52-I62 PolarHBondContact N-O 3.05Å; Q52-I62 PolarHBondContact O-N 2.87Å; Q52-T64 HydrophobicContact CB-CG2 3.64Å
53	L	93.3	Very high	91.6	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	140.3	169.5	-77.5	63.3	0	0	0	109.3	F32 L37 L39 L58 I61 Y344 F349	F32-L53 HydrophobicContact CE2-CD1 3.74Å; F32-L53 HydrophobicContact CE2-CD2 3.63Å; F32-L53 HydrophobicContact CE2-CG 4.35Å; F32-L53 HydrophobicContact CZ-CD1 4.35Å; F32-L53 HydrophobicContact CZ-CD2 3.59Å; L37-L53 HydrophobicContact CB-CB 4.09Å; L37-L53 WeakPolarHBondContact O-CB 3.43Å; L37-L53 PolarHBondContact O-N 3.45Å; L39-L53 HydrophobicContact CB-CD1 4.05Å; L53-L58 HydrophobicContact CB-CD2 4.34Å; L53-L58 HydrophobicContact CD2-CD2 4.24Å; L53-I61 HydrophobicContact CB-CG2 4.32Å; L53-I61 HydrophobicContact CD1-CG2 3.69Å; L53-I61 HydrophobicContact CG-CG2 3.57Å; L53-Y344 HydrophobicContact CD2-CD1 4.23Å; L53-F349 HydrophobicContact CD2-CE1 4.42Å; L53-F349 HydrophobicContact CD2-CE2 4.47Å; L53-F349 HydrophobicContact CD2-CZ 3.73Å; L53-F349 HydrophobicContact CG-CZ 4.29Å
54	N	87.2	Confident	91.4	Very high	70 Å²	70	45.7 Å²	45.7	37%	0.374	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.8	173.1	-176.4	-14.9	0	0	0	110.5	L56 D57 L58 N60	N54-L56 PolarHBondContact O-N 2.8Å; N54-L56 PolarHBondContact OD1-N 3.31Å; N54-D57 WeakPolarHBondContact CB-O 3.33Å; N54-D57 CarbonylContact O-C 3.57Å; N54-D57 PolarHBondContact O-N 3.39Å; N54-D57 VanDerWaalsContact O-O 3.12Å; N54-L58 VanDerWaalsContact O-CA 3.31Å; N54-L58 WeakPolarHBondContact O-CA 3.38Å; N54-L58 PolarHBondContact O-N 2.89Å; N54-N60 PolarHBondContact N-O 2.76Å
55	L	80	Confident	91.4	Very high	140 Å²	140	45.5 Å²	45.5	73%	0.733	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-35.6	177.7	-82.8	163.7	0	0	0	113.7	L37	L37-L55 HydrophobicContact CD1-CD2 3.18Å; L37-L55 HydrophobicContact CD1-CG 3.71Å
56	L	81.4	Confident	91.4	Very high	167 Å²	167	48.5 Å²	48.5	87%	0.874	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-21.5	-177.7	-62	175.1	0	0	0	112.3	N54	N54-L56 PolarHBondContact O-N 2.8Å; N54-L56 PolarHBondContact OD1-N 3.31Å
57	D	81.6	Confident	91.3	Very high	63 Å²	63	48.5 Å²	48.5	34%	0.337	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	87.3	178.2	-179.7	9.7	0	0	0	109.2	N54 S59 N60	N54-D57 WeakPolarHBondContact CB-O 3.33Å; N54-D57 CarbonylContact O-C 3.57Å; N54-D57 PolarHBondContact O-N 3.39Å; N54-D57 VanDerWaalsContact O-O 3.12Å; D57-S59 PolarHBondContact O-N 2.92Å; D57-S59 WeakPolarHBondContact OD1-CB 3.46Å; D57-S59 PolarHBondContact OD1-N 2.84Å; D57-S59 PolarHBondContact OD1-OG 3.32Å; D57-S59 PolarHBondContact OD2-OG 3.4Å; D57-N60 HydrophobicContact CB-CB 4.39Å; D57-N60 PolarHBondContact O-N 2.82Å
58	L	79.2	Confident	91.2	Very high	38 Å²	38	52 Å²	52	20%	0.199	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	-14.2	-177.1	-65.1	171.8	0	0	0	113.1	L37 L53 N54 N60 Y344 Y347	L37-L58 HydrophobicContact CD1-CD2 4.12Å; L37-L58 HydrophobicContact CD2-CD2 4.45Å; L53-L58 HydrophobicContact CB-CD2 4.34Å; L53-L58 HydrophobicContact CD2-CD2 4.24Å; N54-L58 VanDerWaalsContact O-CA 3.31Å; N54-L58 WeakPolarHBondContact O-CA 3.38Å; N54-L58 PolarHBondContact O-N 2.89Å; L58-N60 VanDerWaalsContact C-N 3.34Å; L58-Y344 HydrophobicContact CD1-CD1 4.15Å; L58-Y344 HydrophobicContact CD1-CE1 3.82Å; L58-Y344 HydrophobicContact CD2-CD1 4.46Å; L58-Y344 HydrophobicContact CD2-CE1 4.01Å; L58-Y347 HydrophobicContact CB-CD2 3.73Å; L58-Y347 HydrophobicContact CB-CE2 3.55Å; L58-Y347 HydrophobicContact CD1-CD2 4.31Å; L58-Y347 HydrophobicContact CD1-CE2 4.12Å; L58-Y347 HydrophobicContact CG-CE2 4.42Å
59	S	76.3	Confident	91.1	Very high	9 Å²	9	56 Å²	56	6%	0.063	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-20.8	176.4	80.8	0	0	0	0	113.2	I17 Q18 D57 I359	I17-S59 VanDerWaalsContact CD1-CB 3.45Å; I17-S59 WeakPolarHBondContact CG2-OG 3.34Å; Q18-S59 PolarHBondContact OE1-O 3.43Å; D57-S59 PolarHBondContact O-N 2.92Å; D57-S59 WeakPolarHBondContact OD1-CB 3.46Å; D57-S59 PolarHBondContact OD1-N 2.84Å; D57-S59 PolarHBondContact OD1-OG 3.32Å; D57-S59 PolarHBondContact OD2-OG 3.4Å; S59-I359 WeakPolarHBondContact O-CD1 3.14Å
60	N	84.9	Confident	91.1	Very high	70 Å²	70	56.7 Å²	56.7	37%	0.374	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	108.3	178.7	-169.9	-11.2	0	0	0	110.1	Q18 N54 D57 L58	Q18-N60 VanDerWaalsContact OE1-CA 3.3Å; N54-N60 PolarHBondContact N-O 2.76Å; D57-N60 HydrophobicContact CB-CB 4.39Å; D57-N60 PolarHBondContact O-N 2.82Å; L58-N60 VanDerWaalsContact C-N 3.34Å
61	I	90	Very high	91.1	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.015	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.8	176.5	76.8	179.7	0	0	0	111.2	Q18 C20 L39 W51 Q52 L53 F349 I359	Q18-I61 PolarHBondContact NE2-O 3.39Å; Q18-I61 VanDerWaalsContact NE2-O 3.11Å; C20-I61 VanDerWaalsContact SG-CG1 3.5Å; L39-I61 HydrophobicContact CD2-CD1 4.13Å; W51-I61 HydrophobicContact CB-CB 4.32Å; W51-I61 HydrophobicContact CB-CD1 3.89Å; W51-I61 HydrophobicContact CB-CG1 4.3Å; W51-I61 HydrophobicContact CD2-CD1 4.04Å; W51-I61 HydrophobicContact CE3-CD1 3.93Å; W51-I61 HydrophobicContact CE3-CG1 4.01Å; W51-I61 HydrophobicContact CG-CD1 4.06Å; Q52-I61 WeakPolarHBondContact O-CA 3.37Å; L53-I61 HydrophobicContact CB-CG2 4.32Å; L53-I61 HydrophobicContact CD1-CG2 3.69Å; L53-I61 HydrophobicContact CG-CG2 3.57Å; I61-F349 HydrophobicContact CG2-CE1 4Å; I61-I359 HydrophobicContact CB-CD1 4.34Å; I61-I359 HydrophobicContact CD1-CD1 3.58Å; I61-I359 HydrophobicContact CG1-CD1 3.64Å; I61-I359 HydrophobicContact CG2-CD1 3.88Å
62	I	93.4	Very high	91.1	Very high	105 Å²	105	65 Å²	65	54%	0.538	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133	177.7	51.3	164.7	0	0	0	110.6	W51 Q52 T64	W51-I62 CarbonylContact C-O 3.59Å; W51-I62 VanDerWaalsContact CA-O 3.27Å; W51-I62 WeakPolarHBondContact CA-O 3.48Å; Q52-I62 HydrophobicContact CB-CG1 4.13Å; Q52-I62 PolarHBondContact N-O 3.05Å; Q52-I62 PolarHBondContact O-N 2.87Å; I62-T64 HydrophobicContact CD1-CG2 4.45Å; I62-T64 HydrophobicContact CG1-CG2 4.47Å; I62-T64 PolarHBondContact O-N 3.42Å
63	C	95.6	Very high	91.3	Very high	40 Å²	40	66.1 Å²	66.1	27%	0.27	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	113.8	171.9	-172.7	0	0	0	0	109.1	E22 I50 W51	E22-C63 HydrophobicContact CG-CB 3.84Å; I50-C63 CarbonylContact O-C 3.56Å; I50-C63 WeakPolarHBondContact O-CA 3.45Å; W51-C63 HydrophobicContact CD2-CB 4.44Å; W51-C63 HydrophobicContact CE3-CB 3.79Å; W51-C63 HydrophobicContact CH2-CB 4.49Å; W51-C63 HydrophobicContact CZ3-CB 3.81Å
64	T	96.3	Very high	91.5	Very high	59 Å²	59	66 Å²	66	36%	0.362	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-37.2	-179.2	52.8	0	0	0	0	111.8	I50 Q52 I62	I50-T64 PolarHBondContact O-N 2.89Å; I50-T64 PolarHBondContact O-OG1 3.41Å; I50-T64 VanDerWaalsContact O-OG1 3.11Å; Q52-T64 HydrophobicContact CB-CG2 3.64Å; I62-T64 HydrophobicContact CD1-CG2 4.45Å; I62-T64 HydrophobicContact CG1-CG2 4.47Å; I62-T64 PolarHBondContact O-N 3.42Å
65	H	97	Very high	92.1	Very high	56 Å²	56	64 Å²	64	26%	0.259	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	141.4	-179.7	-61.9	-66.6	0	0	0	111.8	C49 I50 L67 F98 N99	C49-H65 WeakPolarHBondContact CA-O 3.31Å; I50-H65 HydrophobicContact CB-CB 4.11Å; I50-H65 HydrophobicContact CG1-CB 4.05Å; I50-H65 PolarHBondContact N-O 2.81Å; H65-L67 HydrophobicContact CB-CD2 3.83Å; H65-F98 PolarHBondContact CD2-O 3.03Å; H65-F98 VanDerWaalsContact CD2-O 3.3Å; H65-N99 PolarHBondContact NE2-O 2.88Å
66	R	97.7	Very high	93	Very high	97 Å²	97	58.8 Å²	58.8	37%	0.366	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	106.9	166.2	-70.2	169.6	168.8	-106.5	15.5	107.9	E22 I47 H68	E22-R66 VanDerWaalsContact O-CZ 3.32Å; E22-R66 PolarHBondContact O-NH1 3.32Å; E22-R66 PolarHBondContact O-NH2 2.63Å; E22-R66 VanDerWaalsContact O-NH2 3.17Å; E22-R66 IonicContact OE1-NH2 3.83Å; E22-R66 PolarHBondContact OE1-NH2 2.92Å; E22-R66 IonicContact OE2-CZ 3.43Å; E22-R66 IonicContact OE2-NE 2.75Å; E22-R66 PolarHBondContact OE2-NE 3.25Å; E22-R66 IonicContact OE2-NH2 3.84Å; E22-R66 PolarHBondContact OE2-NH2 2.93Å; I47-R66 HydrophobicContact CG2-CB 4.28Å; R66-H68 PolarHBondContact O-CE1 3.33Å; R66-H68 PolarHBondContact O-N 3.41Å; R66-H68 PolarHBondContact O-ND1 3.01Å
67	L	98	Very high	93.8	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	110.1	-177.8	-40.6	-178.9	0	0	0	108.4	I48 I50 H65 L84 W96 G101	I48-L67 HydrophobicContact CB-CB 4.07Å; I48-L67 HydrophobicContact CB-CD1 4.18Å; I48-L67 HydrophobicContact CB-CG 4.28Å; I48-L67 HydrophobicContact CG2-CD1 4.04Å; I48-L67 HydrophobicContact CG2-CG 4.48Å; I48-L67 PolarHBondContact N-O 2.96Å; I48-L67 VanDerWaalsContact N-O 3.14Å; I48-L67 PolarHBondContact O-N 2.79Å; I50-L67 HydrophobicContact CD1-CD1 3.93Å; I50-L67 HydrophobicContact CD1-CG 4.5Å; I50-L67 HydrophobicContact CG1-CD1 4.03Å; I50-L67 HydrophobicContact CG1-CD2 4.3Å; I50-L67 HydrophobicContact CG1-CG 4.13Å; H65-L67 HydrophobicContact CB-CD2 3.83Å; L67-L84 HydrophobicContact CD1-CD2 4.24Å; L67-W96 HydrophobicContact CB-CD2 4.29Å; L67-W96 HydrophobicContact CB-CE3 3.84Å; L67-W96 HydrophobicContact CB-CH2 4.04Å; L67-W96 HydrophobicContact CB-CZ2 4.46Å; L67-W96 HydrophobicContact CB-CZ3 3.71Å; L67-W96 HydrophobicContact CD1-CB 3.91Å; L67-W96 HydrophobicContact CD1-CD2 3.73Å; L67-W96 HydrophobicContact CD1-CE3 3.87Å; L67-W96 HydrophobicContact CD1-CG 3.75Å; L67-W96 HydrophobicContact CD2-CE3 4.39Å; L67-W96 HydrophobicContact CG-CE3 4.26Å; L67-G101 VanDerWaalsContact CD2-CA 3.43Å; L67-G101 WeakPolarHBondContact CD2-O 3.26Å
68	H	96.1	Very high	94.6	Very high	101 Å²	101	49.8 Å²	49.8	47%	0.468	25%	0.25	S	C	.	.			trans	-95.6	161	172.2	-54.1	83.9	0	0	0	108.1	R66 W96	R66-H68 PolarHBondContact O-CE1 3.33Å; R66-H68 PolarHBondContact O-N 3.41Å; R66-H68 PolarHBondContact O-ND1 3.01Å; H68-W96 WeakPolarHBondContact O-CH2 3.19Å; H68-W96 WeakPolarHBondContact O-CZ3 3.44Å
69	N	96.2	Very high	95.5	Very high	86 Å²	86	49.5 Å²	49.5	46%	0.46	25%	0.247	S	C	.	.			trans	136.8	-25.3	162.6	-70.9	15.8	0	0	0	111.6	Q71 R94 W96	N69-Q71 PolarHBondContact O-NE2 2.85Å; N69-R94 PolarHBondContact O-NH2 3.49Å; N69-R94 VanDerWaalsContact O-NH2 3.16Å; N69-W96 HydrophobicContact CB-CH2 4.05Å
70	H	98.2	Very high	96.4	Very high	13 Å²	13	50.6 Å²	50.6	6%	0.06	25%	0.251	C	S	.	.			trans	-63.1	140.1	168.6	-85	-58.7	0	0	0	110.1	I74 S86 S88 D90 T92 R94 W96	H70-I74 HydrophobicContact CB-CD1 3.79Å; H70-I74 WeakPolarHBondContact CD2-CD1 3.14Å; H70-S86 PolarHBondContact NE2-OG 3.01Å; H70-S88 VanDerWaalsContact CE1-CB 3.43Å; H70-S88 WeakPolarHBondContact CE1-CB 3.18Å; H70-S88 WeakPolarHBondContact ND1-CB 3.38Å; H70-D90 VanDerWaalsContact CA-OD2 3.28Å; H70-D90 WeakPolarHBondContact CA-OD2 2.86Å; H70-D90 IonicContact CE1-OD1 3.89Å; H70-D90 IonicContact CE1-OD2 3.8Å; H70-D90 IonicContact CG-OD2 3.2Å; H70-D90 IonicContact ND1-OD1 2.79Å; H70-D90 PolarHBondContact ND1-OD1 3.22Å; H70-D90 IonicContact ND1-OD2 3Å; H70-D90 PolarHBondContact ND1-OD2 3.2Å; H70-T92 PolarHBondContact CE1-OG1 2.9Å; H70-T92 VanDerWaalsContact CE1-OG1 3.25Å; H70-T92 PolarHBondContact ND1-OG1 2.91Å; H70-R94 WeakPolarHBondContact NE2-CD 3.22Å; H70-W96 AromaticContact CD2-CZ2 3.92Å
71	Q	97.7	Very high	96.7	Very high	165 Å²	165	51.8 Å²	51.8	77%	0.771	26%	0.257	S	S	*	.	S	Bend	trans	-104.2	17.8	-177.6	-58.7	-56.6	-52.3	0	0	112.2	N69 D90	N69-Q71 PolarHBondContact O-NE2 2.85Å; Q71-D90 HydrophobicContact CB-CB 4.12Å; Q71-D90 PolarHBondContact N-OD2 3.27Å
72	G	98.1	Very high	96.8	Very high	15 Å²	15	55.6 Å²	55.6	16%	0.155	28%	0.278	C	S	.	.	S	Bend	trans	-167.6	173.8	-177.2	0	0	0	0	0	111.4	G46 S88 S89	G46-G72 VanDerWaalsContact CA-O 3.26Å; G46-G72 WeakPolarHBondContact CA-O 3.41Å; G72-S88 PolarHBondContact O-OG 2.99Å; G72-S89 VanDerWaalsContact CA-OG 3.26Å; G72-S89 WeakPolarHBondContact CA-OG 2.99Å
73	Y	98.5	Very high	97	Very high	85 Å²	85	53 Å²	53	33%	0.333	26%	0.262	S	S	.	.			trans	-59.9	141.8	-173.3	58.5	-96.8	0	0	0	112.4	D44 T75 S88 S89 V113	D44-Y73 VanDerWaalsContact OD1-CB 3.31Å; D44-Y73 WeakPolarHBondContact OD1-CB 3.34Å; Y73-T75 HydrophobicContact CD2-CG2 3.79Å; Y73-T75 HydrophobicContact CE2-CG2 3.6Å; Y73-S88 CarbonylContact O-C 3.56Å; Y73-S88 VanDerWaalsContact O-CA 3.27Å; Y73-S88 WeakPolarHBondContact O-CA 3.48Å; Y73-S88 PolarHBondContact O-OG 2.82Å; Y73-S88 VanDerWaalsContact O-OG 3.08Å; Y73-S89 VanDerWaalsContact CD1-CB 3.41Å; Y73-S89 VanDerWaalsContact CD1-OG 3.27Å; Y73-S89 WeakPolarHBondContact CD1-OG 3.37Å; Y73-S89 WeakPolarHBondContact CE1-OG 3.35Å; Y73-S89 PolarHBondContact N-OG 2.8Å; Y73-S89 PolarHBondContact O-N 2.9Å; Y73-V113 HydrophobicContact CE2-CG1 4.29Å
74	I	98.8	Very high	97.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	129.1	176.9	-50.4	-55.8	0	0	0	108.9	N28 S43 I48 H70 L77	N28-I74 VanDerWaalsContact CB-O 3.29Å; N28-I74 WeakPolarHBondContact CB-O 3.25Å; N28-I74 PolarHBondContact ND2-O 3.33Å; S43-I74 PolarHBondContact O-N 3.49Å; I48-I74 HydrophobicContact CD1-CD1 4.14Å; I48-I74 HydrophobicContact CG1-CD1 3.91Å; I48-I74 HydrophobicContact CG1-CG1 3.83Å; I48-I74 HydrophobicContact CG1-CG2 4.32Å; H70-I74 HydrophobicContact CB-CD1 3.79Å; H70-I74 WeakPolarHBondContact CD2-CD1 3.14Å; I74-L77 HydrophobicContact CG2-CD2 4.12Å; I74-L77 HydrophobicContact CG2-CG 4.14Å
75	T	98.6	Very high	97.3	Very high	29 Å²	29	48.3 Å²	48.3	18%	0.178	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-38.6	-177.5	52.9	0	0	0	0	112.8	Y73 S87 V113 V114	Y73-T75 HydrophobicContact CD2-CG2 3.79Å; Y73-T75 HydrophobicContact CE2-CG2 3.6Å; T75-S87 PolarHBondContact N-O 2.97Å; T75-S87 WeakPolarHBondContact OG1-CB 3.35Å; T75-S87 PolarHBondContact OG1-O 2.81Å; T75-S87 PolarHBondContact OG1-OG 2.91Å; T75-V113 HydrophobicContact CG2-CG1 3.92Å; T75-V114 VanDerWaalsContact CB-O 3.29Å; T75-V114 WeakPolarHBondContact CB-O 3.41Å; T75-V114 VanDerWaalsContact CG2-O 3.32Å; T75-V114 WeakPolarHBondContact CG2-O 3.34Å; T75-V114 PolarHBondContact OG1-O 3.26Å
76	E	98.4	Very high	97.3	Very high	29 Å²	29	45.6 Å²	45.6	14%	0.136	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	152.5	-179.7	-178.1	158.7	-144.2	0	0	111.8	I78 S86 S87 K116 I117	E76-I78 HydrophobicContact CG-CG1 4.23Å; E76-S86 WeakPolarHBondContact O-CA 3.2Å; E76-S87 PolarHBondContact N-OG 3.41Å; E76-S87 PolarHBondContact O-N 3.01Å; E76-K116 WeakPolarHBondContact OE1-CE 3.15Å; E76-K116 IonicContact OE1-NZ 3.63Å; E76-K116 PolarHBondContact OE1-NZ 3.47Å; E76-K116 VanDerWaalsContact OE2-CA 3.31Å; E76-K116 WeakPolarHBondContact OE2-CA 3.48Å; E76-K116 WeakPolarHBondContact OE2-CD 3.37Å; E76-K116 WeakPolarHBondContact OE2-CE 3.4Å; E76-K116 IonicContact OE2-NZ 3.91Å; E76-K116 PolarHBondContact OE2-NZ 2.94Å; E76-I117 HydrophobicContact CB-CG1 3.96Å; E76-I117 HydrophobicContact CG-CD1 4.43Å; E76-I117 HydrophobicContact CG-CG1 3.77Å; E76-I117 PolarHBondContact OE2-N 3.08Å; E76-I117 VanDerWaalsContact OE2-O 3.12Å
77	L	98.8	Very high	97.4	Very high	9 Å²	9	41 Å²	41	5%	0.047	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136	177.3	-71	175.9	0	0	0	110.1	A31 A40 S41 G42 I48 I74 L84 I85 S86	A31-L77 HydrophobicContact CB-CB 3.73Å; A31-L77 WeakPolarHBondContact CB-O 3.39Å; A40-L77 HydrophobicContact CB-CD1 4.05Å; S41-L77 VanDerWaalsContact C-CD1 3.43Å; G42-L77 VanDerWaalsContact N-CD1 3.29Å; I48-L77 HydrophobicContact CD1-CD2 3.85Å; I48-L77 HydrophobicContact CG1-CD2 4.06Å; I48-L77 HydrophobicContact CG2-CD1 4.05Å; I48-L77 HydrophobicContact CG2-CD2 4.04Å; I74-L77 HydrophobicContact CG2-CD2 4.12Å; I74-L77 HydrophobicContact CG2-CG 4.14Å; L77-L84 HydrophobicContact CB-CD1 4.26Å; L77-L84 HydrophobicContact CD2-CD1 4.26Å; L77-L84 HydrophobicContact CD2-CD2 4.11Å; L77-L84 HydrophobicContact CD2-CG 4.23Å; L77-I85 CarbonylContact C-O 3.55Å; L77-I85 WeakPolarHBondContact CA-O 3.43Å; L77-S86 VanDerWaalsContact CD2-CB 3.49Å
78	I	98.3	Very high	97.4	Very high	33 Å²	33	40.8 Å²	40.8	17%	0.169	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	127.3	178	-62.2	-176.7	0	0	0	109.6	E76 I85 I117 C119	E76-I78 HydrophobicContact CG-CG1 4.23Å; I78-I85 PolarHBondContact N-O 3.31Å; I78-I85 PolarHBondContact O-N 3.06Å; I78-I117 HydrophobicContact CD1-CD1 4.2Å; I78-I117 HydrophobicContact CD1-CG1 3.85Å; I78-I117 WeakPolarHBondContact CD1-O 3.49Å; I78-I117 HydrophobicContact CG1-CD1 4.24Å; I78-I117 HydrophobicContact CG1-CG1 4.28Å; I78-C119 HydrophobicContact CG2-CB 4.09Å
79	F	97.9	Very high	97.6	Very high	31 Å²	31	37.3 Å²	37.3	14%	0.136	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.7	165.3	-74.6	-76	0	0	0	110.1	A31 F32 N33 I38 A40 Y83 L84 F98	A31-F79 HydrophobicContact CB-CD2 3.68Å; A31-F79 HydrophobicContact CB-CE2 3.82Å; A31-F79 WeakPolarHBondContact O-CE2 3.34Å; F32-F79 VanDerWaalsContact C-CD2 3.49Å; N33-F79 HydrophobicContact CB-CB 4.2Å; N33-F79 HydrophobicContact CB-CD1 3.92Å; N33-F79 HydrophobicContact CB-CD2 3.72Å; N33-F79 HydrophobicContact CB-CE1 4.16Å; N33-F79 HydrophobicContact CB-CE2 3.97Å; N33-F79 HydrophobicContact CB-CG 3.69Å; N33-F79 HydrophobicContact CB-CZ 4.18Å; I38-F79 HydrophobicContact CB-CZ 4.23Å; I38-F79 HydrophobicContact CG2-CE1 4.23Å; I38-F79 HydrophobicContact CG2-CZ 3.68Å; A40-F79 HydrophobicContact CB-CE2 3.88Å; A40-F79 HydrophobicContact CB-CZ 3.72Å; F79-Y83 WeakPolarHBondContact CA-O 3.2Å; F79-L84 HydrophobicContact CD1-CB 4.17Å; F79-L84 HydrophobicContact CD1-CD1 3.92Å; F79-L84 HydrophobicContact CD2-CD1 4.16Å; F79-L84 HydrophobicContact CE1-CB 4.03Å; F79-L84 HydrophobicContact CE1-CD1 3.84Å; F79-L84 HydrophobicContact CE1-CG 4.43Å; F79-L84 HydrophobicContact CE2-CD1 4.08Å; F79-L84 HydrophobicContact CG-CD1 4.08Å; F79-L84 HydrophobicContact CZ-CD1 3.92Å; F79-F98 AromaticContact CD1-CD1 3.72Å; F79-F98 HydrophobicContact CD1-CD1 3.72Å; F79-F98 AromaticContact CD1-CE1 3.85Å; F79-F98 HydrophobicContact CD1-CE1 3.85Å; F79-F98 HydrophobicContact CE1-CB 4.29Å; F79-F98 AromaticContact CE1-CD1 3.56Å; F79-F98 HydrophobicContact CE1-CD1 3.56Å; F79-F98 HydrophobicContact CE1-CE1 4.04Å; F79-F98 AromaticContact CE1-CG 3.98Å; F79-F98 HydrophobicContact CE1-CG 3.98Å
80	H	96	Very high	97.7	Very high	33 Å²	33	35.4 Å²	35.4	15%	0.153	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	119.8	175.6	-172.9	78.2	0	0	0	109.6	D82 Y83 C119 N121 F138	H80-D82 PolarHBondContact O-N 3.25Å; H80-Y83 PolarHBondContact N-O 3.32Å; H80-Y83 WeakPolarHBondContact O-CB 3.37Å; H80-Y83 PolarHBondContact O-N 2.89Å; H80-Y83 VanDerWaalsContact O-N 3.08Å; H80-C119 HydrophobicContact CB-CB 3.88Å; H80-N121 PolarHBondContact CE1-O 3.16Å; H80-N121 VanDerWaalsContact CE1-O 3.25Å; H80-N121 PolarHBondContact NE2-O 2.95Å; H80-F138 HydrophobicContact CB-CE2 4.22Å; H80-F138 AromaticContact CD2-CD2 3.82Å; H80-F138 AromaticContact CD2-CE2 3.46Å; H80-F138 VanDerWaalsContact CD2-CE2 3.46Å; H80-F138 WeakPolarHBondContact CD2-CE2 3.24Å; H80-F138 AromaticContact CD2-CZ 3.59Å
81	N	90.6	Very high	97.7	Very high	95 Å²	95	35 Å²	35	51%	0.508	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	-129.8	-168.8	-55	-38.1	0	0	0	111	Y83	N81-Y83 PolarHBondContact O-N 3.08Å
82	D	92.8	Very high	97.7	Very high	83 Å²	83	27.9 Å²	27.9	44%	0.444	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	20.2	178.3	-57.6	-45.5	0	0	0	113.1	H80 F98	H80-D82 PolarHBondContact O-N 3.25Å; D82-F98 WeakPolarHBondContact O-CE1 3.34Å
83	Y	97.5	Very high	97.8	Very high	50 Å²	50	27.2 Å²	27.2	20%	0.196	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	151.8	-175.4	-61.3	-72	0	0	0	113.2	F79 H80 N81 K95 W96 N97 E104 F138	F79-Y83 WeakPolarHBondContact CA-O 3.2Å; H80-Y83 PolarHBondContact N-O 3.32Å; H80-Y83 WeakPolarHBondContact O-CB 3.37Å; H80-Y83 PolarHBondContact O-N 2.89Å; H80-Y83 VanDerWaalsContact O-N 3.08Å; N81-Y83 PolarHBondContact O-N 3.08Å; Y83-K95 HydrophobicContact CD1-CD 4.22Å; Y83-K95 HydrophobicContact CD1-CG 3.79Å; Y83-K95 HydrophobicContact CE1-CD 4.49Å; Y83-K95 HydrophobicContact CE1-CG 4.41Å; Y83-K95 HydrophobicContact CG-CD 4.23Å; Y83-K95 VanDerWaalsContact CG-CE 3.47Å; Y83-K95 HydrophobicContact CG-CG 3.97Å; Y83-W96 WeakPolarHBondContact CA-O 3.27Å; Y83-W96 WeakPolarHBondContact CD1-O 3.1Å; Y83-N97 HydrophobicContact CE1-CB 4.34Å; Y83-E104 HydrophobicContact CE1-CG 4.41Å; Y83-E104 WeakPolarHBondContact CE1-OE2 3.48Å; Y83-E104 VanDerWaalsContact CZ-OE2 3.26Å; Y83-E104 PolarHBondContact OH-OE2 2.99Å; Y83-F138 HydrophobicContact CD2-CE1 4.05Å; Y83-F138 AromaticContact CD2-CZ 3.65Å; Y83-F138 HydrophobicContact CD2-CZ 3.65Å; Y83-F138 HydrophobicContact CE2-CE1 4.45Å; Y83-F138 HydrophobicContact CE2-CZ 4.46Å; Y83-F138 HydrophobicContact CG-CZ 4.18Å
84	L	98.5	Very high	97.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.1	162.7	-179.9	69.4	0	0	0	107.9	A31 A40 I48 I50 L67 L77 F79 W96 F98	A31-L84 HydrophobicContact CB-CD1 4.35Å; A40-L84 HydrophobicContact CB-CD1 3.98Å; A40-L84 HydrophobicContact CB-CD2 3.74Å; I48-L84 HydrophobicContact CG2-CD2 3.78Å; I50-L84 HydrophobicContact CD1-CD2 3.45Å; I50-L84 VanDerWaalsContact CD1-CD2 3.45Å; L67-L84 HydrophobicContact CD1-CD2 4.24Å; L77-L84 HydrophobicContact CB-CD1 4.26Å; L77-L84 HydrophobicContact CD2-CD1 4.26Å; L77-L84 HydrophobicContact CD2-CD2 4.11Å; L77-L84 HydrophobicContact CD2-CG 4.23Å; F79-L84 HydrophobicContact CD1-CB 4.17Å; F79-L84 HydrophobicContact CD1-CD1 3.92Å; F79-L84 HydrophobicContact CD2-CD1 4.16Å; F79-L84 HydrophobicContact CE1-CB 4.03Å; F79-L84 HydrophobicContact CE1-CD1 3.84Å; F79-L84 HydrophobicContact CE1-CG 4.43Å; F79-L84 HydrophobicContact CE2-CD1 4.08Å; F79-L84 HydrophobicContact CG-CD1 4.08Å; F79-L84 HydrophobicContact CZ-CD1 3.92Å; L84-W96 HydrophobicContact CB-CB 4.36Å; L84-W96 PolarHBondContact N-O 3.36Å; L84-W96 VanDerWaalsContact O-CD1 3.26Å; L84-W96 PolarHBondContact O-N 3.49Å; L84-F98 HydrophobicContact CB-CB 4.47Å; L84-F98 HydrophobicContact CB-CD1 4.39Å
85	I	98.7	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.9	174.1	-53.3	-52.9	0	0	0	108.2	L77 I78 I93 R94 K95 I117 I124 F138	L77-I85 CarbonylContact C-O 3.55Å; L77-I85 WeakPolarHBondContact CA-O 3.43Å; I78-I85 PolarHBondContact N-O 3.31Å; I78-I85 PolarHBondContact O-N 3.06Å; I85-I93 HydrophobicContact CG2-CG2 3.49Å; I85-I93 VanDerWaalsContact CG2-CG2 3.49Å; I85-R94 WeakPolarHBondContact CA-O 3.28Å; I85-K95 HydrophobicContact CD1-CB 3.59Å; I85-K95 HydrophobicContact CD1-CD 4.46Å; I85-K95 HydrophobicContact CD1-CG 3.75Å; I85-I117 HydrophobicContact CB-CD1 4.35Å; I85-I117 HydrophobicContact CG2-CD1 3.75Å; I85-I124 HydrophobicContact CD1-CD1 4.31Å; I85-I124 HydrophobicContact CG1-CD1 4.4Å; I85-I124 HydrophobicContact CG2-CD1 4.09Å; I85-F138 HydrophobicContact CD1-CD2 4.47Å; I85-F138 HydrophobicContact CD1-CE2 3.74Å; I85-F138 HydrophobicContact CG1-CE2 4.01Å
86	S	98.8	Very high	97.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.6	176.9	63.8	0	0	0	0	111.6	I48 H70 E76 L77 I93 R94 W96	I48-S86 WeakPolarHBondContact CD1-OG 3.33Å; H70-S86 PolarHBondContact NE2-OG 3.01Å; E76-S86 WeakPolarHBondContact O-CA 3.2Å; L77-S86 VanDerWaalsContact CD2-CB 3.49Å; S86-I93 CarbonylContact O-C 3.59Å; S86-I93 WeakPolarHBondContact O-CA 3.17Å; S86-I93 VanDerWaalsContact O-CG2 3.25Å; S86-I93 WeakPolarHBondContact O-CG2 3.38Å; S86-R94 PolarHBondContact N-O 2.73Å; S86-R94 PolarHBondContact O-N 2.79Å; S86-W96 PolarHBondContact OG-NE1 2.79Å
87	S	98.8	Very high	97.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	154	168	57.6	0	0	0	0	110.9	T75 E76	T75-S87 PolarHBondContact N-O 2.97Å; T75-S87 WeakPolarHBondContact OG1-CB 3.35Å; T75-S87 PolarHBondContact OG1-O 2.81Å; T75-S87 PolarHBondContact OG1-OG 2.91Å; E76-S87 PolarHBondContact N-OG 3.41Å; E76-S87 PolarHBondContact O-N 3.01Å
88	S	98.8	Very high	97.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	165	-174	173.4	0	0	0	0	113.5	H70 G72 Y73 D90 G91 T92 V114	H70-S88 VanDerWaalsContact CE1-CB 3.43Å; H70-S88 WeakPolarHBondContact CE1-CB 3.18Å; H70-S88 WeakPolarHBondContact ND1-CB 3.38Å; G72-S88 PolarHBondContact O-OG 2.99Å; Y73-S88 CarbonylContact O-C 3.56Å; Y73-S88 VanDerWaalsContact O-CA 3.27Å; Y73-S88 WeakPolarHBondContact O-CA 3.48Å; Y73-S88 PolarHBondContact O-OG 2.82Å; Y73-S88 VanDerWaalsContact O-OG 3.08Å; S88-D90 WeakPolarHBondContact CB-OD1 3.48Å; S88-D90 PolarHBondContact O-N 3.08Å; S88-D90 PolarHBondContact OG-N 2.91Å; S88-D90 VanDerWaalsContact OG-N 3.16Å; S88-D90 PolarHBondContact OG-OD1 3.12Å; S88-G91 PolarHBondContact O-N 3.19Å; S88-T92 PolarHBondContact N-O 2.86Å; S88-V114 PolarHBondContact O-N 3.42Å
89	S	98.7	Very high	97.4	Very high	28 Å²	28	27 Å²	27	20%	0.196	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14	167.5	82.1	0	0	0	0	114.7	G72 Y73 G91	G72-S89 VanDerWaalsContact CA-OG 3.26Å; G72-S89 WeakPolarHBondContact CA-OG 2.99Å; Y73-S89 VanDerWaalsContact CD1-CB 3.41Å; Y73-S89 VanDerWaalsContact CD1-OG 3.27Å; Y73-S89 WeakPolarHBondContact CD1-OG 3.37Å; Y73-S89 WeakPolarHBondContact CE1-OG 3.35Å; Y73-S89 PolarHBondContact N-OG 2.8Å; Y73-S89 PolarHBondContact O-N 2.9Å; S89-G91 PolarHBondContact O-N 3.2Å
90	D	98.6	Very high	97.3	Very high	45 Å²	45	28.9 Å²	28.9	24%	0.241	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-0.5	172.9	69.2	13.5	0	0	0	113.7	H70 Q71 S88 T92	H70-D90 VanDerWaalsContact CA-OD2 3.28Å; H70-D90 WeakPolarHBondContact CA-OD2 2.86Å; H70-D90 IonicContact CE1-OD1 3.89Å; H70-D90 IonicContact CE1-OD2 3.8Å; H70-D90 IonicContact CG-OD2 3.2Å; H70-D90 IonicContact ND1-OD1 2.79Å; H70-D90 PolarHBondContact ND1-OD1 3.22Å; H70-D90 IonicContact ND1-OD2 3Å; H70-D90 PolarHBondContact ND1-OD2 3.2Å; Q71-D90 HydrophobicContact CB-CB 4.12Å; Q71-D90 PolarHBondContact N-OD2 3.27Å; S88-D90 WeakPolarHBondContact CB-OD1 3.48Å; S88-D90 PolarHBondContact O-N 3.08Å; S88-D90 PolarHBondContact OG-N 2.91Å; S88-D90 VanDerWaalsContact OG-N 3.16Å; S88-D90 PolarHBondContact OG-OD1 3.12Å; D90-T92 VanDerWaalsContact C-N 3.29Å; D90-T92 VanDerWaalsContact CG-OG1 3.29Å; D90-T92 PolarHBondContact O-N 3.3Å; D90-T92 WeakPolarHBondContact OD1-CA 2.9Å; D90-T92 WeakPolarHBondContact OD1-CB 3.39Å; D90-T92 PolarHBondContact OD1-N 3.31Å; D90-T92 PolarHBondContact OD1-OG1 2.78Å; D90-T92 PolarHBondContact OD2-OG1 2.91Å
91	G	98.5	Very high	97.3	Very high	4 Å²	4	28.3 Å²	28.3	4%	0.041	16%	0.156	C	C	.	.	S	Bend	trans	81.5	5.1	179	0	0	0	0	0	114.1	S88 S89 H110 D112	S88-G91 PolarHBondContact O-N 3.19Å; S89-G91 PolarHBondContact O-N 3.2Å; G91-H110 WeakPolarHBondContact O-CB 3.3Å; G91-D112 WeakPolarHBondContact CA-O 3.02Å
92	T	98.6	Very high	97.6	Very high	17 Å²	17	30.7 Å²	30.7	10%	0.104	16%	0.161	C	C	.	.			trans	-106.7	155.5	179.4	72.8	0	0	0	0	112.2	H70 S88 D90 V106	H70-T92 PolarHBondContact CE1-OG1 2.9Å; H70-T92 VanDerWaalsContact CE1-OG1 3.25Å; H70-T92 PolarHBondContact ND1-OG1 2.91Å; S88-T92 PolarHBondContact N-O 2.86Å; D90-T92 VanDerWaalsContact C-N 3.29Å; D90-T92 VanDerWaalsContact CG-OG1 3.29Å; D90-T92 PolarHBondContact O-N 3.3Å; D90-T92 WeakPolarHBondContact OD1-CA 2.9Å; D90-T92 WeakPolarHBondContact OD1-CB 3.39Å; D90-T92 PolarHBondContact OD1-N 3.31Å; D90-T92 PolarHBondContact OD1-OG1 2.78Å; D90-T92 PolarHBondContact OD2-OG1 2.91Å; T92-V106 HydrophobicContact CG2-CG1 4.11Å
93	I	98.9	Very high	97.9	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.6	162.2	-58.3	158.2	0	0	0	106.5	I85 S86 F107 V114 I117 I124 S126	I85-I93 HydrophobicContact CG2-CG2 3.49Å; I85-I93 VanDerWaalsContact CG2-CG2 3.49Å; S86-I93 CarbonylContact O-C 3.59Å; S86-I93 WeakPolarHBondContact O-CA 3.17Å; S86-I93 VanDerWaalsContact O-CG2 3.25Å; S86-I93 WeakPolarHBondContact O-CG2 3.38Å; I93-F107 HydrophobicContact CB-CB 4.08Å; I93-F107 HydrophobicContact CB-CD2 4.06Å; I93-F107 HydrophobicContact CB-CG 4.4Å; I93-F107 HydrophobicContact CG2-CD2 3.88Å; I93-F107 HydrophobicContact CG2-CE2 4.43Å; I93-F107 PolarHBondContact N-O 3.28Å; I93-F107 WeakPolarHBondContact O-CD2 3.48Å; I93-F107 PolarHBondContact O-N 2.75Å; I93-V114 HydrophobicContact CD1-CG1 4.08Å; I93-V114 HydrophobicContact CG1-CB 4.46Å; I93-V114 HydrophobicContact CG1-CG1 3.93Å; I93-V114 HydrophobicContact CG1-CG2 4.26Å; I93-I117 HydrophobicContact CD1-CG2 3.84Å; I93-I117 HydrophobicContact CG1-CG2 4.06Å; I93-I124 HydrophobicContact CD1-CG2 4.36Å; I93-S126 VanDerWaalsContact CD1-CB 3.43Å
94	R	98.7	Very high	97.8	Very high	31 Å²	31	30.2 Å²	30.2	12%	0.117	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.3	179.3	-68.7	179.4	-179.6	-95.9	-0.6	111.1	N69 H70 I85 S86 W96 Y105 V106	N69-R94 PolarHBondContact O-NH2 3.49Å; N69-R94 VanDerWaalsContact O-NH2 3.16Å; H70-R94 WeakPolarHBondContact NE2-CD 3.22Å; I85-R94 WeakPolarHBondContact CA-O 3.28Å; S86-R94 PolarHBondContact N-O 2.73Å; S86-R94 PolarHBondContact O-N 2.79Å; R94-W96 HydrophobicContact CB-CD2 4.48Å; R94-W96 HydrophobicContact CB-CZ2 3.71Å; R94-W96 VanDerWaalsContact CB-NE1 3.33Å; R94-W96 HydrophobicContact CG-CZ2 4.14Å; R94-Y105 WeakPolarHBondContact CA-O 3.47Å; R94-V106 HydrophobicContact CG-CG1 4.25Å; R94-V106 HydrophobicContact CG-CG2 4.31Å; R94-V106 VanDerWaalsContact NH1-CG2 3.3Å
95	K	98.4	Very high	97.8	Very high	17 Å²	17	34.8 Å²	34.8	7%	0.074	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.8	171.4	171	179.8	165.2	-177	0	109	Y83 I85 E104 Y105 F107 F138	Y83-K95 HydrophobicContact CD1-CD 4.22Å; Y83-K95 HydrophobicContact CD1-CG 3.79Å; Y83-K95 HydrophobicContact CE1-CD 4.49Å; Y83-K95 HydrophobicContact CE1-CG 4.41Å; Y83-K95 HydrophobicContact CG-CD 4.23Å; Y83-K95 VanDerWaalsContact CG-CE 3.47Å; Y83-K95 HydrophobicContact CG-CG 3.97Å; I85-K95 HydrophobicContact CD1-CB 3.59Å; I85-K95 HydrophobicContact CD1-CD 4.46Å; I85-K95 HydrophobicContact CD1-CG 3.75Å; K95-E104 PolarHBondContact O-N 2.89Å; K95-Y105 PolarHBondContact N-O 2.64Å; K95-Y105 PolarHBondContact O-N 2.89Å; K95-F107 HydrophobicContact CB-CE2 3.82Å; K95-F107 HydrophobicContact CB-CZ 4.37Å; K95-F138 HydrophobicContact CD-CZ 4.46Å
96	W	98.5	Very high	97.8	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.011	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.4	-176.2	-48.3	86.5	0	0	0	110.5	I48 L67 H68 N69 H70 Y83 L84 S86 R94 F98 K102 C103	I48-W96 HydrophobicContact CD1-CZ2 4.11Å; L67-W96 HydrophobicContact CB-CD2 4.29Å; L67-W96 HydrophobicContact CB-CE3 3.84Å; L67-W96 HydrophobicContact CB-CH2 4.04Å; L67-W96 HydrophobicContact CB-CZ2 4.46Å; L67-W96 HydrophobicContact CB-CZ3 3.71Å; L67-W96 HydrophobicContact CD1-CB 3.91Å; L67-W96 HydrophobicContact CD1-CD2 3.73Å; L67-W96 HydrophobicContact CD1-CE3 3.87Å; L67-W96 HydrophobicContact CD1-CG 3.75Å; L67-W96 HydrophobicContact CD2-CE3 4.39Å; L67-W96 HydrophobicContact CG-CE3 4.26Å; H68-W96 WeakPolarHBondContact O-CH2 3.19Å; H68-W96 WeakPolarHBondContact O-CZ3 3.44Å; N69-W96 HydrophobicContact CB-CH2 4.05Å; H70-W96 AromaticContact CD2-CZ2 3.92Å; Y83-W96 WeakPolarHBondContact CA-O 3.27Å; Y83-W96 WeakPolarHBondContact CD1-O 3.1Å; L84-W96 HydrophobicContact CB-CB 4.36Å; L84-W96 PolarHBondContact N-O 3.36Å; L84-W96 VanDerWaalsContact O-CD1 3.26Å; L84-W96 PolarHBondContact O-N 3.49Å; S86-W96 PolarHBondContact OG-NE1 2.79Å; R94-W96 HydrophobicContact CB-CD2 4.48Å; R94-W96 HydrophobicContact CB-CZ2 3.71Å; R94-W96 VanDerWaalsContact CB-NE1 3.33Å; R94-W96 HydrophobicContact CG-CZ2 4.14Å; W96-F98 PolarHBondContact O-N 2.73Å; W96-K102 WeakPolarHBondContact CA-O 3.37Å; W96-C103 HydrophobicContact CD2-CB 4.3Å; W96-C103 HydrophobicContact CE3-CB 3.59Å; W96-C103 HydrophobicContact CH2-CB 4.15Å; W96-C103 HydrophobicContact CZ3-CB 3.51Å
97	N	97.4	Very high	97.8	Very high	29 Å²	29	36.7 Å²	36.7	16%	0.155	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	102.8	164.2	-175.2	-51.7	0	0	0	108.2	Y83 N99 T100 G101 K102 E104	Y83-N97 HydrophobicContact CE1-CB 4.34Å; N97-N99 PolarHBondContact O-N 3.39Å; N97-N99 WeakPolarHBondContact OD1-CB 3.33Å; N97-N99 PolarHBondContact OD1-N 2.82Å; N97-T100 WeakPolarHBondContact CB-OG1 3.46Å; N97-T100 VanDerWaalsContact CG-OG1 3.3Å; N97-T100 PolarHBondContact O-N 3.38Å; N97-T100 PolarHBondContact OD1-N 2.84Å; N97-T100 VanDerWaalsContact OD1-N 3.12Å; N97-T100 PolarHBondContact OD1-OG1 2.98Å; N97-G101 WeakPolarHBondContact O-CA 3.48Å; N97-G101 PolarHBondContact O-N 3.38Å; N97-K102 PolarHBondContact N-O 2.76Å; N97-E104 HydrophobicContact CB-CG 4.12Å; N97-E104 WeakPolarHBondContact CB-OE1 3.32Å; N97-E104 PolarHBondContact ND2-OE1 3.33Å
98	F	95.5	Very high	97.7	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.009	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.6	-174.2	56.6	-109.4	0	0	0	113.5	N36 I38 I50 H65 F79 D82 L84 W96	N36-F98 VanDerWaalsContact ND2-CZ 3.31Å; N36-F98 WeakPolarHBondContact ND2-CZ 3.32Å; I38-F98 HydrophobicContact CD1-CD2 3.4Å; I38-F98 VanDerWaalsContact CD1-CD2 3.4Å; I38-F98 HydrophobicContact CD1-CE2 3.54Å; I38-F98 HydrophobicContact CD1-CG 4.34Å; I50-F98 HydrophobicContact CD1-CB 4.4Å; I50-F98 HydrophobicContact CG2-CB 4.48Å; H65-F98 PolarHBondContact CD2-O 3.03Å; H65-F98 VanDerWaalsContact CD2-O 3.3Å; F79-F98 AromaticContact CD1-CD1 3.72Å; F79-F98 HydrophobicContact CD1-CD1 3.72Å; F79-F98 AromaticContact CD1-CE1 3.85Å; F79-F98 HydrophobicContact CD1-CE1 3.85Å; F79-F98 HydrophobicContact CE1-CB 4.29Å; F79-F98 AromaticContact CE1-CD1 3.56Å; F79-F98 HydrophobicContact CE1-CD1 3.56Å; F79-F98 HydrophobicContact CE1-CE1 4.04Å; F79-F98 AromaticContact CE1-CG 3.98Å; F79-F98 HydrophobicContact CE1-CG 3.98Å; D82-F98 WeakPolarHBondContact O-CE1 3.34Å; L84-F98 HydrophobicContact CB-CB 4.47Å; L84-F98 HydrophobicContact CB-CD1 4.39Å; W96-F98 PolarHBondContact O-N 2.73Å
99	N	95.2	Very high	97.7	Very high	99 Å²	99	44.6 Å²	44.6	53%	0.529	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-27.9	175.8	-63.8	-41	0	0	0	112.9	H65 N97	H65-N99 PolarHBondContact NE2-O 2.88Å; N97-N99 PolarHBondContact O-N 3.39Å; N97-N99 WeakPolarHBondContact OD1-CB 3.33Å; N97-N99 PolarHBondContact OD1-N 2.82Å
100	T	96.2	Very high	97.7	Very high	70 Å²	70	43.9 Å²	43.9	43%	0.429	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-13.1	-178.2	63.3	0	0	0	0	113	N97 K102	N97-T100 WeakPolarHBondContact CB-OG1 3.46Å; N97-T100 VanDerWaalsContact CG-OG1 3.3Å; N97-T100 PolarHBondContact O-N 3.38Å; N97-T100 PolarHBondContact OD1-N 2.84Å; N97-T100 VanDerWaalsContact OD1-N 3.12Å; N97-T100 PolarHBondContact OD1-OG1 2.98Å; T100-K102 PolarHBondContact O-N 2.9Å; T100-K102 PolarHBondContact OG1-N 3.01Å
101	G	95.8	Very high	97.6	Very high	20 Å²	20	50 Å²	50	21%	0.206	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	11.2	-173.1	0	0	0	0	0	114.4	L67 N97	L67-G101 VanDerWaalsContact CD2-CA 3.43Å; L67-G101 WeakPolarHBondContact CD2-O 3.26Å; N97-G101 WeakPolarHBondContact O-CA 3.48Å; N97-G101 PolarHBondContact O-N 3.38Å
102	K	97.4	Very high	97.6	Very high	145 Å²	145	53 Å²	53	63%	0.63	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	136.6	-177.4	-65.9	-176.8	179.9	179.9	0	111.6	W96 N97 T100 E104	W96-K102 WeakPolarHBondContact CA-O 3.37Å; N97-K102 PolarHBondContact N-O 2.76Å; T100-K102 PolarHBondContact O-N 2.9Å; T100-K102 PolarHBondContact OG1-N 3.01Å; K102-E104 PolarHBondContact O-N 3.5Å
103	C	97.8	Very high	97.7	Very high	37 Å²	37	52.7 Å²	52.7	25%	0.25	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	114.8	164.4	-169.9	0	0	0	0	108.3	W96	W96-C103 HydrophobicContact CD2-CB 4.3Å; W96-C103 HydrophobicContact CE3-CB 3.59Å; W96-C103 HydrophobicContact CH2-CB 4.15Å; W96-C103 HydrophobicContact CZ3-CB 3.51Å
104	E	97.1	Very high	97.7	Very high	87 Å²	87	52.7 Å²	52.7	41%	0.407	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-29.7	179.6	-69.7	-165.9	-178.6	0	0	112.5	Y83 K95 N97 K102	Y83-E104 HydrophobicContact CE1-CG 4.41Å; Y83-E104 WeakPolarHBondContact CE1-OE2 3.48Å; Y83-E104 VanDerWaalsContact CZ-OE2 3.26Å; Y83-E104 PolarHBondContact OH-OE2 2.99Å; K95-E104 PolarHBondContact O-N 2.89Å; N97-E104 HydrophobicContact CB-CG 4.12Å; N97-E104 WeakPolarHBondContact CB-OE1 3.32Å; N97-E104 PolarHBondContact ND2-OE1 3.33Å; K102-E104 PolarHBondContact O-N 3.5Å
105	Y	97.9	Very high	97.6	Very high	95 Å²	95	55.6 Å²	55.6	37%	0.373	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	148.7	179.4	-162	-94.8	0	0	0	112.3	R94 K95 F107 G141	R94-Y105 WeakPolarHBondContact CA-O 3.47Å; K95-Y105 PolarHBondContact N-O 2.64Å; K95-Y105 PolarHBondContact O-N 2.89Å; Y105-F107 AromaticContact CD1-CD1 3.92Å; Y105-F107 HydrophobicContact CD1-CD1 3.92Å; Y105-F107 AromaticContact CD1-CD2 3.83Å; Y105-F107 HydrophobicContact CD1-CD2 3.83Å; Y105-F107 AromaticContact CD1-CE1 3.95Å; Y105-F107 HydrophobicContact CD1-CE1 3.95Å; Y105-F107 AromaticContact CD1-CE2 3.85Å; Y105-F107 HydrophobicContact CD1-CE2 3.85Å; Y105-F107 AromaticContact CD1-CG 3.85Å; Y105-F107 HydrophobicContact CD1-CG 3.85Å; Y105-F107 AromaticContact CD1-CZ 3.89Å; Y105-F107 HydrophobicContact CD1-CZ 3.89Å; Y105-F107 HydrophobicContact CE1-CB 4.45Å; Y105-F107 AromaticContact CE1-CD1 3.86Å; Y105-F107 HydrophobicContact CE1-CD1 3.86Å; Y105-F107 HydrophobicContact CE1-CD2 4.43Å; Y105-F107 HydrophobicContact CE1-CE1 4.18Å; Y105-F107 AromaticContact CE1-CG 3.98Å; Y105-F107 HydrophobicContact CE1-CG 3.98Å; Y105-G141 VanDerWaalsContact CE1-CA 3.44Å
106	V	98.3	Very high	97.6	Very high	39 Å²	39	58.1 Å²	58.1	24%	0.236	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.6	173.1	-170.4	0	0	0	0	108.1	T92 R94 E108	T92-V106 HydrophobicContact CG2-CG1 4.11Å; R94-V106 HydrophobicContact CG-CG1 4.25Å; R94-V106 HydrophobicContact CG-CG2 4.31Å; R94-V106 VanDerWaalsContact NH1-CG2 3.3Å; V106-E108 HydrophobicContact CB-CG 4.47Å; V106-E108 HydrophobicContact CG1-CG 3.8Å; V106-E108 PolarHBondContact O-N 3.42Å
107	F	98.5	Very high	97.6	Very high	2 Å²	2	58 Å²	58	1%	0.009	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	103.9	175.4	-51.4	-104.6	0	0	0	108.5	I93 K95 Y105 I124 W136	I93-F107 HydrophobicContact CB-CB 4.08Å; I93-F107 HydrophobicContact CB-CD2 4.06Å; I93-F107 HydrophobicContact CB-CG 4.4Å; I93-F107 HydrophobicContact CG2-CD2 3.88Å; I93-F107 HydrophobicContact CG2-CE2 4.43Å; I93-F107 PolarHBondContact N-O 3.28Å; I93-F107 WeakPolarHBondContact O-CD2 3.48Å; I93-F107 PolarHBondContact O-N 2.75Å; K95-F107 HydrophobicContact CB-CE2 3.82Å; K95-F107 HydrophobicContact CB-CZ 4.37Å; Y105-F107 AromaticContact CD1-CD1 3.92Å; Y105-F107 HydrophobicContact CD1-CD1 3.92Å; Y105-F107 AromaticContact CD1-CD2 3.83Å; Y105-F107 HydrophobicContact CD1-CD2 3.83Å; Y105-F107 AromaticContact CD1-CE1 3.95Å; Y105-F107 HydrophobicContact CD1-CE1 3.95Å; Y105-F107 AromaticContact CD1-CE2 3.85Å; Y105-F107 HydrophobicContact CD1-CE2 3.85Å; Y105-F107 AromaticContact CD1-CG 3.85Å; Y105-F107 HydrophobicContact CD1-CG 3.85Å; Y105-F107 AromaticContact CD1-CZ 3.89Å; Y105-F107 HydrophobicContact CD1-CZ 3.89Å; Y105-F107 HydrophobicContact CE1-CB 4.45Å; Y105-F107 AromaticContact CE1-CD1 3.86Å; Y105-F107 HydrophobicContact CE1-CD1 3.86Å; Y105-F107 HydrophobicContact CE1-CD2 4.43Å; Y105-F107 HydrophobicContact CE1-CE1 4.18Å; Y105-F107 AromaticContact CE1-CG 3.98Å; Y105-F107 HydrophobicContact CE1-CG 3.98Å; F107-I124 HydrophobicContact CD1-CD1 4.41Å; F107-I124 HydrophobicContact CD2-CD1 4.38Å; F107-I124 HydrophobicContact CE1-CD1 3.69Å; F107-I124 HydrophobicContact CE2-CD1 3.69Å; F107-I124 HydrophobicContact CZ-CD1 3.32Å; F107-W136 HydrophobicContact CB-CD2 4.14Å; F107-W136 HydrophobicContact CB-CE3 4.02Å; F107-W136 HydrophobicContact CB-CH2 4.37Å; F107-W136 HydrophobicContact CB-CZ2 4.49Å; F107-W136 HydrophobicContact CB-CZ3 4.1Å; F107-W136 HydrophobicContact CD1-CB 3.96Å; F107-W136 HydrophobicContact CD1-CD2 4.09Å; F107-W136 AromaticContact CD1-CE3 3.98Å; F107-W136 HydrophobicContact CD1-CE3 3.98Å; F107-W136 HydrophobicContact CD1-CG 4.09Å; F107-W136 HydrophobicContact CE1-CB 4.25Å
108	E	97.8	Very high	97.7	Very high	143 Å²	143	58 Å²	58	67%	0.668	29%	0.286	S	S	*	.			trans	-104.4	128.6	-179.9	-62.1	-172.6	164.2	0	0	110.9	V106 W136	V106-E108 HydrophobicContact CB-CG 4.47Å; V106-E108 HydrophobicContact CG1-CG 3.8Å; V106-E108 PolarHBondContact O-N 3.42Å; E108-W136 WeakPolarHBondContact O-CH2 3.38Å
109	G	97.3	Very high	97.7	Very high	22 Å²	22	58.9 Å²	58.9	23%	0.227	29%	0.293	C	S	.	.			trans	173.5	-33.6	173.9	0	0	0	0	0	113.4	K111	G109-K111 WeakPolarHBondContact O-CE 3.34Å
110	H	98.6	Very high	97.5	Very high	13 Å²	13	56.3 Å²	56.3	6%	0.06	28%	0.28	C	S	.	.			trans	-62.7	147.1	167.5	-79.7	-54.7	0	0	0	111.2	G91 V114 S126 S128 D130 T132	G91-H110 WeakPolarHBondContact O-CB 3.3Å; H110-V114 HydrophobicContact CB-CG2 3.89Å; H110-S126 PolarHBondContact CD2-OG 3.06Å; H110-S126 WeakPolarHBondContact NE2-CB 3.27Å; H110-S126 PolarHBondContact NE2-OG 3.1Å; H110-S128 WeakPolarHBondContact CE1-CB 3.36Å; H110-S128 WeakPolarHBondContact ND1-CB 3.06Å; H110-D130 WeakPolarHBondContact CA-OD2 3.27Å; H110-D130 IonicContact CE1-OD1 3.88Å; H110-D130 IonicContact CE1-OD2 3.88Å; H110-D130 IonicContact CG-OD2 3.51Å; H110-D130 IonicContact ND1-OD1 3.39Å; H110-D130 PolarHBondContact ND1-OD1 2.94Å; H110-D130 IonicContact ND1-OD2 2.76Å; H110-D130 PolarHBondContact ND1-OD2 3.39Å; H110-T132 PolarHBondContact CE1-OG1 3.27Å; H110-T132 PolarHBondContact ND1-OG1 3.2Å
111	K	98.3	Very high	97	Very high	175 Å²	175	56.4 Å²	56.4	76%	0.761	28%	0.279	S	S	*	.	S	Bend	trans	-109.9	3.4	-176.1	-56.8	-56.3	174.7	-165.4	0	113.9	G109 D130	G109-K111 WeakPolarHBondContact O-CE 3.34Å; K111-D130 HydrophobicContact CB-CB 4.25Å; K111-D130 PolarHBondContact N-OD2 3.43Å
112	D	98.5	Very high	96.8	Very high	67 Å²	67	59.2 Å²	59.2	36%	0.358	29%	0.289	S	S	.	.	S	Bend	trans	-159.8	174.9	-177.9	-155.9	-18.2	0	0	0	108.5	G91 V114 S128 Q129 D130	G91-D112 WeakPolarHBondContact CA-O 3.02Å; D112-V114 PolarHBondContact O-N 2.76Å; D112-S128 PolarHBondContact O-OG 3.32Å; D112-Q129 HydrophobicContact CB-CB 3.76Å; D112-Q129 WeakPolarHBondContact OD2-CB 3.29Å; D112-D130 HydrophobicContact CB-CB 4.05Å
113	V	98.8	Very high	96.7	Very high	10 Å²	10	55.1 Å²	55.1	6%	0.061	27%	0.27	C	S	.	.			trans	-41.9	122.5	-175.8	177.5	0	0	0	0	112.5	Y73 T75 R115 S128 Q129	Y73-V113 HydrophobicContact CE2-CG1 4.29Å; T75-V113 HydrophobicContact CG2-CG1 3.92Å; V113-R115 HydrophobicContact CG1-CG 4.15Å; V113-R115 PolarHBondContact O-N 3.14Å; V113-S128 CarbonylContact O-C 3.5Å; V113-S128 VanDerWaalsContact O-CA 3.27Å; V113-S128 WeakPolarHBondContact O-CA 3.32Å; V113-S128 PolarHBondContact O-OG 3.08Å; V113-S128 VanDerWaalsContact O-OG 3.06Å; V113-Q129 HydrophobicContact CB-CB 4.21Å; V113-Q129 HydrophobicContact CB-CG 3.8Å; V113-Q129 VanDerWaalsContact CB-NE2 3.32Å; V113-Q129 HydrophobicContact CG1-CG 4.48Å; V113-Q129 HydrophobicContact CG2-CG 4.41Å; V113-Q129 PolarHBondContact O-N 2.95Å
114	V	98.9	Very high	96.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	111.1	170.1	-176	0	0	0	0	107.6	T75 S88 I93 H110 D112 I117	T75-V114 VanDerWaalsContact CB-O 3.29Å; T75-V114 WeakPolarHBondContact CB-O 3.41Å; T75-V114 VanDerWaalsContact CG2-O 3.32Å; T75-V114 WeakPolarHBondContact CG2-O 3.34Å; T75-V114 PolarHBondContact OG1-O 3.26Å; S88-V114 PolarHBondContact O-N 3.42Å; I93-V114 HydrophobicContact CD1-CG1 4.08Å; I93-V114 HydrophobicContact CG1-CB 4.46Å; I93-V114 HydrophobicContact CG1-CG1 3.93Å; I93-V114 HydrophobicContact CG1-CG2 4.26Å; H110-V114 HydrophobicContact CB-CG2 3.89Å; D112-V114 PolarHBondContact O-N 2.76Å; V114-I117 HydrophobicContact CG1-CG2 3.85Å
115	R	98.6	Very high	96.7	Very high	93 Å²	93	49.3 Å²	49.3	35%	0.351	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-35.9	-170.8	-75.3	-168.5	168.5	-99.8	-3	114	V113 G127 Q129 N155	V113-R115 HydrophobicContact CG1-CG 4.15Å; V113-R115 PolarHBondContact O-N 3.14Å; R115-G127 PolarHBondContact N-O 3.16Å; R115-Q129 HydrophobicContact CG-CG 4.09Å; R115-N155 VanDerWaalsContact CD-OD1 3.3Å; R115-N155 WeakPolarHBondContact CD-OD1 3.31Å
116	K	98.2	Very high	96.8	Very high	70 Å²	70	44.8 Å²	44.8	30%	0.304	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	137.5	-173	-166.8	79.3	-169.8	157.3	0	109.2	E76 S126 G127 V157	E76-K116 WeakPolarHBondContact OE1-CE 3.15Å; E76-K116 IonicContact OE1-NZ 3.63Å; E76-K116 PolarHBondContact OE1-NZ 3.47Å; E76-K116 VanDerWaalsContact OE2-CA 3.31Å; E76-K116 WeakPolarHBondContact OE2-CA 3.48Å; E76-K116 WeakPolarHBondContact OE2-CD 3.37Å; E76-K116 WeakPolarHBondContact OE2-CE 3.4Å; E76-K116 IonicContact OE2-NZ 3.91Å; E76-K116 PolarHBondContact OE2-NZ 2.94Å; K116-S126 CarbonylContact O-C 2.98Å; K116-S126 VanDerWaalsContact O-CA 3.31Å; K116-S126 WeakPolarHBondContact O-CA 3.36Å; K116-G127 PolarHBondContact N-O 2.95Å; K116-G127 PolarHBondContact O-N 3.35Å; K116-V157 HydrophobicContact CB-CG2 4.08Å; K116-V157 HydrophobicContact CG-CG2 3.74Å
117	I	98.5	Very high	96.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.6	170.5	54.4	167	0	0	0	110.1	E76 I78 I85 I93 V114 V125	E76-I117 HydrophobicContact CB-CG1 3.96Å; E76-I117 HydrophobicContact CG-CD1 4.43Å; E76-I117 HydrophobicContact CG-CG1 3.77Å; E76-I117 PolarHBondContact OE2-N 3.08Å; E76-I117 VanDerWaalsContact OE2-O 3.12Å; I78-I117 HydrophobicContact CD1-CD1 4.2Å; I78-I117 HydrophobicContact CD1-CG1 3.85Å; I78-I117 WeakPolarHBondContact CD1-O 3.49Å; I78-I117 HydrophobicContact CG1-CD1 4.24Å; I78-I117 HydrophobicContact CG1-CG1 4.28Å; I85-I117 HydrophobicContact CB-CD1 4.35Å; I85-I117 HydrophobicContact CG2-CD1 3.75Å; I93-I117 HydrophobicContact CD1-CG2 3.84Å; I93-I117 HydrophobicContact CG1-CG2 4.06Å; V114-I117 HydrophobicContact CG1-CG2 3.85Å; I117-V125 CarbonylContact C-O 3.4Å; I117-V125 VanDerWaalsContact CA-O 3.27Å; I117-V125 WeakPolarHBondContact CA-O 3.24Å
118	I	97.7	Very high	96.8	Very high	28 Å²	28	42.8 Å²	42.8	14%	0.144	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	148.7	164.2	58.4	178.5	0	0	0	108.3	V120 I124 V125 V157 Y159	I118-V120 HydrophobicContact CD1-CG2 4.41Å; I118-I124 WeakPolarHBondContact O-CA 3.39Å; I118-V125 HydrophobicContact CD1-CB 4.1Å; I118-V125 HydrophobicContact CG1-CB 3.72Å; I118-V125 HydrophobicContact CG1-CG2 4.45Å; I118-V125 PolarHBondContact N-O 3.41Å; I118-V125 PolarHBondContact O-N 2.87Å; I118-V157 HydrophobicContact CD1-CG2 4.44Å; I118-V157 HydrophobicContact CG1-CG2 4.19Å; I118-V157 HydrophobicContact CG2-CG2 4.25Å; I118-Y159 VanDerWaalsContact CD1-CB 3.49Å
119	C	96.4	Very high	96.9	Very high	21 Å²	21	38.1 Å²	38.1	14%	0.142	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.8	170	-62.3	0	0	0	0	108.3	I78 H80 Y123	I78-C119 HydrophobicContact CG2-CB 4.09Å; H80-C119 HydrophobicContact CB-CB 3.88Å; C119-Y123 WeakPolarHBondContact CA-O 3.14Å
120	V	90.4	Very high	96.9	Very high	45 Å²	45	38.7 Å²	38.7	27%	0.273	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	126.9	176.9	-172.8	0	0	0	0	108.8	I118 D122 Y123 Y159	I118-V120 HydrophobicContact CD1-CG2 4.41Å; V120-D122 PolarHBondContact O-N 3.37Å; V120-Y123 PolarHBondContact N-O 2.6Å; V120-Y123 WeakPolarHBondContact O-CB 3.31Å; V120-Y123 PolarHBondContact O-N 3.03Å; V120-Y159 HydrophobicContact CB-CD1 3.86Å; V120-Y159 HydrophobicContact CB-CE1 4.25Å; V120-Y159 HydrophobicContact CB-CG 4.43Å; V120-Y159 HydrophobicContact CG1-CD1 3.54Å; V120-Y159 HydrophobicContact CG1-CE1 3.58Å; V120-Y159 HydrophobicContact CG2-CD1 3.9Å; V120-Y159 HydrophobicContact CG2-CG 4.3Å
121	N	86.4	Confident	96.9	Very high	73 Å²	73	43.2 Å²	43.2	39%	0.39	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	-128.9	-172.4	-53.9	-31.1	0	0	0	110.1	H80 Y123	H80-N121 PolarHBondContact CE1-O 3.16Å; H80-N121 VanDerWaalsContact CE1-O 3.25Å; H80-N121 PolarHBondContact NE2-O 2.95Å; N121-Y123 VanDerWaalsContact C-N 3.28Å; N121-Y123 PolarHBondContact O-N 2.87Å
122	D	91.6	Very high	97	Very high	79 Å²	79	35.7 Å²	35.7	42%	0.422	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	21.6	177.5	-60.3	-39.8	0	0	0	113.1	V120 F138 H139	V120-D122 PolarHBondContact O-N 3.37Å; D122-F138 VanDerWaalsContact O-CB 3.24Å; D122-F138 WeakPolarHBondContact O-CB 3.26Å; D122-F138 PolarHBondContact O-N 3.06Å; D122-H139 IonicContact OD1-CD2 3.55Å; D122-H139 IonicContact OD1-CE1 3.78Å; D122-H139 IonicContact OD1-NE2 2.74Å; D122-H139 PolarHBondContact OD1-NE2 3.17Å
123	Y	94.9	Very high	97	Very high	58 Å²	58	32.6 Å²	32.6	23%	0.227	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.9	-176.8	-51.3	-50.5	0	0	0	112.7	C119 V120 N121 W136 L144 L199	C119-Y123 WeakPolarHBondContact CA-O 3.14Å; V120-Y123 PolarHBondContact N-O 2.6Å; V120-Y123 WeakPolarHBondContact O-CB 3.31Å; V120-Y123 PolarHBondContact O-N 3.03Å; N121-Y123 VanDerWaalsContact C-N 3.28Å; N121-Y123 PolarHBondContact O-N 2.87Å; Y123-W136 WeakPolarHBondContact CA-O 2.93Å; Y123-L144 HydrophobicContact CD1-CD1 3.59Å; Y123-L144 HydrophobicContact CE1-CD1 3.52Å; Y123-L199 HydrophobicContact CD2-CD1 4.11Å; Y123-L199 HydrophobicContact CE2-CD1 3.92Å
124	I	98	Very high	97	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.7	158.2	-57.8	169.4	0	0	0	106.7	I85 I93 F107 I118 C135 W136 F138	I85-I124 HydrophobicContact CD1-CD1 4.31Å; I85-I124 HydrophobicContact CG1-CD1 4.4Å; I85-I124 HydrophobicContact CG2-CD1 4.09Å; I93-I124 HydrophobicContact CD1-CG2 4.36Å; F107-I124 HydrophobicContact CD1-CD1 4.41Å; F107-I124 HydrophobicContact CD2-CD1 4.38Å; F107-I124 HydrophobicContact CE1-CD1 3.69Å; F107-I124 HydrophobicContact CE2-CD1 3.69Å; F107-I124 HydrophobicContact CZ-CD1 3.32Å; I118-I124 WeakPolarHBondContact O-CA 3.39Å; I124-C135 CarbonylContact O-C 3.58Å; I124-C135 WeakPolarHBondContact O-CA 3.23Å; I124-W136 HydrophobicContact CB-CB 4.25Å; I124-W136 PolarHBondContact N-O 3.26Å; I124-W136 PolarHBondContact O-N 3.11Å; I124-F138 HydrophobicContact CD1-CD2 3.89Å; I124-F138 HydrophobicContact CG1-CB 4.41Å; I124-F138 HydrophobicContact CG1-CD2 3.88Å
125	V	98.2	Very high	96.9	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.4	173	-179.5	0	0	0	0	108.6	I117 I118 I134 C135 V157 V185	I117-V125 CarbonylContact C-O 3.4Å; I117-V125 VanDerWaalsContact CA-O 3.27Å; I117-V125 WeakPolarHBondContact CA-O 3.24Å; I118-V125 HydrophobicContact CD1-CB 4.1Å; I118-V125 HydrophobicContact CG1-CB 3.72Å; I118-V125 HydrophobicContact CG1-CG2 4.45Å; I118-V125 PolarHBondContact N-O 3.41Å; I118-V125 PolarHBondContact O-N 2.87Å; V125-I134 CarbonylContact C-O 3.59Å; V125-I134 WeakPolarHBondContact CA-O 3.27Å; V125-C135 HydrophobicContact CG2-CB 4.35Å; V125-V157 HydrophobicContact CG1-CB 4.4Å; V125-V185 HydrophobicContact CG1-CG1 3.7Å; V125-V185 HydrophobicContact CG1-CG2 3.97Å; V125-V185 HydrophobicContact CG2-CG2 3.94Å
126	S	98.7	Very high	96.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.9	-175.8	56.8	0	0	0	0	111.9	I93 H110 K116 A133 I134 W136	I93-S126 VanDerWaalsContact CD1-CB 3.43Å; H110-S126 PolarHBondContact CD2-OG 3.06Å; H110-S126 WeakPolarHBondContact NE2-CB 3.27Å; H110-S126 PolarHBondContact NE2-OG 3.1Å; K116-S126 CarbonylContact O-C 2.98Å; K116-S126 VanDerWaalsContact O-CA 3.31Å; K116-S126 WeakPolarHBondContact O-CA 3.36Å; S126-A133 CarbonylContact O-C 3.55Å; S126-A133 WeakPolarHBondContact O-CA 3.26Å; S126-A133 WeakPolarHBondContact O-CB 3.49Å; S126-I134 PolarHBondContact N-O 2.86Å; S126-I134 PolarHBondContact O-N 3.39Å; S126-I134 PolarHBondContact OG-O 3.24Å; S126-W136 PolarHBondContact OG-NE1 2.8Å
127	G	98.7	Very high	96.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.4	169.4	0	0	0	0	0	110.7	R115 K116	R115-G127 PolarHBondContact N-O 3.16Å; K116-G127 PolarHBondContact N-O 2.95Å; K116-G127 PolarHBondContact O-N 3.35Å
128	S	98.8	Very high	96.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	162	-171.4	171.2	0	0	0	0	114.3	H110 D112 V113 D130 K131 T132 V154	H110-S128 WeakPolarHBondContact CE1-CB 3.36Å; H110-S128 WeakPolarHBondContact ND1-CB 3.06Å; D112-S128 PolarHBondContact O-OG 3.32Å; V113-S128 CarbonylContact O-C 3.5Å; V113-S128 VanDerWaalsContact O-CA 3.27Å; V113-S128 WeakPolarHBondContact O-CA 3.32Å; V113-S128 PolarHBondContact O-OG 3.08Å; V113-S128 VanDerWaalsContact O-OG 3.06Å; S128-D130 WeakPolarHBondContact CB-OD1 3.39Å; S128-D130 PolarHBondContact O-N 2.65Å; S128-D130 VanDerWaalsContact OG-CG 3.26Å; S128-D130 PolarHBondContact OG-N 3.45Å; S128-D130 VanDerWaalsContact OG-N 3.08Å; S128-D130 PolarHBondContact OG-OD1 3.42Å; S128-K131 PolarHBondContact O-N 3.33Å; S128-T132 PolarHBondContact N-O 3.32Å; S128-V154 PolarHBondContact O-N 2.64Å
129	Q	98.8	Very high	96.6	Very high	45 Å²	45	30.2 Å²	30.2	21%	0.21	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.8	166.7	-71.3	-169.4	40.5	0	0	114.5	D112 V113 R115 K131 L153	D112-Q129 HydrophobicContact CB-CB 3.76Å; D112-Q129 WeakPolarHBondContact OD2-CB 3.29Å; V113-Q129 HydrophobicContact CB-CB 4.21Å; V113-Q129 HydrophobicContact CB-CG 3.8Å; V113-Q129 VanDerWaalsContact CB-NE2 3.32Å; V113-Q129 HydrophobicContact CG1-CG 4.48Å; V113-Q129 HydrophobicContact CG2-CG 4.41Å; V113-Q129 PolarHBondContact O-N 2.95Å; R115-Q129 HydrophobicContact CG-CG 4.09Å; Q129-K131 PolarHBondContact O-N 2.94Å; Q129-L153 HydrophobicContact CB-CB 4.25Å; Q129-L153 HydrophobicContact CG-CB 4.12Å; Q129-L153 HydrophobicContact CG-CD2 4.36Å
130	D	98.7	Very high	96.6	Very high	33 Å²	33	33.4 Å²	33.4	18%	0.176	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	6.1	175.3	72.7	13.2	0	0	0	114.3	H110 K111 D112 S128 T132	H110-D130 WeakPolarHBondContact CA-OD2 3.27Å; H110-D130 IonicContact CE1-OD1 3.88Å; H110-D130 IonicContact CE1-OD2 3.88Å; H110-D130 IonicContact CG-OD2 3.51Å; H110-D130 IonicContact ND1-OD1 3.39Å; H110-D130 PolarHBondContact ND1-OD1 2.94Å; H110-D130 IonicContact ND1-OD2 2.76Å; H110-D130 PolarHBondContact ND1-OD2 3.39Å; K111-D130 HydrophobicContact CB-CB 4.25Å; K111-D130 PolarHBondContact N-OD2 3.43Å; D112-D130 HydrophobicContact CB-CB 4.05Å; S128-D130 WeakPolarHBondContact CB-OD1 3.39Å; S128-D130 PolarHBondContact O-N 2.65Å; S128-D130 VanDerWaalsContact OG-CG 3.26Å; S128-D130 PolarHBondContact OG-N 3.45Å; S128-D130 VanDerWaalsContact OG-N 3.08Å; S128-D130 PolarHBondContact OG-OD1 3.42Å; D130-T132 PolarHBondContact O-N 2.9Å; D130-T132 WeakPolarHBondContact OD1-CA 2.84Å; D130-T132 WeakPolarHBondContact OD1-CB 3.26Å; D130-T132 PolarHBondContact OD1-N 3.29Å; D130-T132 PolarHBondContact OD1-OG1 3.42Å; D130-T132 PolarHBondContact OD2-OG1 2.64Å
131	K	98.7	Very high	96.8	Very high	108 Å²	108	31.5 Å²	31.5	47%	0.47	16%	0.159	S	C	.	.	S	Bend	trans	74.3	9.8	177	-42.9	163.9	-179.2	174.2	0	113.6	S128 Q129 T151	S128-K131 PolarHBondContact O-N 3.33Å; Q129-K131 PolarHBondContact O-N 2.94Å; K131-T151 WeakPolarHBondContact CD-O 3.3Å
132	T	98.6	Very high	97.3	Very high	18 Å²	18	30.1 Å²	30.1	11%	0.11	16%	0.158	C	C	.	.			trans	-113.3	159.5	178.5	74.5	0	0	0	0	111.6	H110 S128 D130 T146 K148	H110-T132 PolarHBondContact CE1-OG1 3.27Å; H110-T132 PolarHBondContact ND1-OG1 3.2Å; S128-T132 PolarHBondContact N-O 3.32Å; D130-T132 PolarHBondContact O-N 2.9Å; D130-T132 WeakPolarHBondContact OD1-CA 2.84Å; D130-T132 WeakPolarHBondContact OD1-CB 3.26Å; D130-T132 PolarHBondContact OD1-N 3.29Å; D130-T132 PolarHBondContact OD1-OG1 3.42Å; D130-T132 PolarHBondContact OD2-OG1 2.64Å; T132-T146 HydrophobicContact CG2-CG2 4.39Å; T132-K148 HydrophobicContact CG2-CG 4.2Å
133	A	98.7	Very high	97.6	Very high	2 Å²	2	30.2 Å²	30.2	2%	0.017	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	148.2	155.9	0	0	0	0	0	109.3	S126 F147 V157 T187	S126-A133 CarbonylContact O-C 3.55Å; S126-A133 WeakPolarHBondContact O-CA 3.26Å; S126-A133 WeakPolarHBondContact O-CB 3.49Å; A133-F147 HydrophobicContact CB-CB 4.27Å; A133-F147 HydrophobicContact CB-CD2 3.89Å; A133-F147 PolarHBondContact N-O 3.24Å; A133-F147 WeakPolarHBondContact O-CD2 3.46Å; A133-F147 PolarHBondContact O-N 2.89Å; A133-V157 HydrophobicContact CB-CG1 4.48Å; A133-T187 HydrophobicContact CB-CG2 3.63Å
134	I	98.6	Very high	97.7	Very high	4 Å²	4	31 Å²	31	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136.6	-179.9	-61.1	176.5	0	0	0	109.3	V125 S126 W136 I143 N145 T146	V125-I134 CarbonylContact C-O 3.59Å; V125-I134 WeakPolarHBondContact CA-O 3.27Å; S126-I134 PolarHBondContact N-O 2.86Å; S126-I134 PolarHBondContact O-N 3.39Å; S126-I134 PolarHBondContact OG-O 3.24Å; I134-W136 HydrophobicContact CB-CZ2 3.99Å; I134-W136 HydrophobicContact CD1-CH2 4.37Å; I134-W136 HydrophobicContact CD1-CZ2 3.76Å; I134-W136 HydrophobicContact CG1-CZ2 4.47Å; I134-W136 HydrophobicContact CG2-CD2 3.75Å; I134-W136 HydrophobicContact CG2-CE3 4.43Å; I134-W136 HydrophobicContact CG2-CG 4.14Å; I134-W136 HydrophobicContact CG2-CH2 4.23Å; I134-W136 HydrophobicContact CG2-CZ2 3.51Å; I134-I143 HydrophobicContact CG2-CG1 4.16Å; I134-I143 HydrophobicContact CG2-CG2 3.89Å; I134-N145 WeakPolarHBondContact CA-O 3.45Å; I134-N145 WeakPolarHBondContact CG2-O 2.82Å; I134-T146 HydrophobicContact CG1-CG2 4.16Å
135	C	98	Very high	97.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.1	166.7	-173.2	0	0	0	0	108.7	I124 V125 L144 N145 F147 L199	I124-C135 CarbonylContact O-C 3.58Å; I124-C135 WeakPolarHBondContact O-CA 3.23Å; V125-C135 HydrophobicContact CG2-CB 4.35Å; C135-L144 PolarHBondContact O-N 3.45Å; C135-N145 HydrophobicContact CB-CB 4.01Å; C135-N145 PolarHBondContact N-O 3.04Å; C135-N145 PolarHBondContact O-N 3.5Å; C135-F147 HydrophobicContact CB-CE2 3.94Å; C135-F147 HydrophobicContact CB-CZ 4.14Å; C135-L199 HydrophobicContact CB-CD2 4.16Å
136	W	98.1	Very high	97.6	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.015	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	146	-179.7	-48.9	84.8	0	0	0	109.8	F107 E108 Y123 I124 S126 I134 F138 A142 I143	F107-W136 HydrophobicContact CB-CD2 4.14Å; F107-W136 HydrophobicContact CB-CE3 4.02Å; F107-W136 HydrophobicContact CB-CH2 4.37Å; F107-W136 HydrophobicContact CB-CZ2 4.49Å; F107-W136 HydrophobicContact CB-CZ3 4.1Å; F107-W136 HydrophobicContact CD1-CB 3.96Å; F107-W136 HydrophobicContact CD1-CD2 4.09Å; F107-W136 AromaticContact CD1-CE3 3.98Å; F107-W136 HydrophobicContact CD1-CE3 3.98Å; F107-W136 HydrophobicContact CD1-CG 4.09Å; F107-W136 HydrophobicContact CE1-CB 4.25Å; E108-W136 WeakPolarHBondContact O-CH2 3.38Å; Y123-W136 WeakPolarHBondContact CA-O 2.93Å; I124-W136 HydrophobicContact CB-CB 4.25Å; I124-W136 PolarHBondContact N-O 3.26Å; I124-W136 PolarHBondContact O-N 3.11Å; S126-W136 PolarHBondContact OG-NE1 2.8Å; I134-W136 HydrophobicContact CB-CZ2 3.99Å; I134-W136 HydrophobicContact CD1-CH2 4.37Å; I134-W136 HydrophobicContact CD1-CZ2 3.76Å; I134-W136 HydrophobicContact CG1-CZ2 4.47Å; I134-W136 HydrophobicContact CG2-CD2 3.75Å; I134-W136 HydrophobicContact CG2-CE3 4.43Å; I134-W136 HydrophobicContact CG2-CG 4.14Å; I134-W136 HydrophobicContact CG2-CH2 4.23Å; I134-W136 HydrophobicContact CG2-CZ2 3.51Å; W136-F138 PolarHBondContact O-N 2.85Å; W136-A142 CarbonylContact C-O 3.56Å; W136-A142 VanDerWaalsContact CA-O 3.32Å; W136-A142 WeakPolarHBondContact CA-O 3.47Å; W136-I143 HydrophobicContact CD2-CG1 4.21Å; W136-I143 HydrophobicContact CE3-CB 4.4Å; W136-I143 HydrophobicContact CE3-CD1 4.44Å; W136-I143 HydrophobicContact CE3-CG1 3.42Å; W136-I143 VanDerWaalsContact CE3-CG1 3.42Å; W136-I143 HydrophobicContact CH2-CD1 3.66Å; W136-I143 HydrophobicContact CH2-CG1 3.52Å; W136-I143 HydrophobicContact CZ2-CG1 4.29Å; W136-I143 HydrophobicContact CZ3-CB 4.39Å; W136-I143 HydrophobicContact CZ3-CD1 3.63Å; W136-I143 HydrophobicContact CZ3-CG1 3.05Å
137	N	96.4	Very high	97.6	Very high	36 Å²	36	34.1 Å²	34.1	19%	0.193	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	121.7	163.1	-174.8	-71	0	0	0	109.1	H139 T140 G141 A142 L144	N137-H139 VanDerWaalsContact C-N 3.28Å; N137-H139 PolarHBondContact O-N 2.93Å; N137-H139 WeakPolarHBondContact OD1-CA 3.43Å; N137-H139 WeakPolarHBondContact OD1-CB 3.1Å; N137-H139 PolarHBondContact OD1-N 3.35Å; N137-T140 WeakPolarHBondContact CB-OG1 3.3Å; N137-T140 PolarHBondContact OD1-N 2.86Å; N137-T140 PolarHBondContact OD1-OG1 3.04Å; N137-G141 VanDerWaalsContact O-CA 3.3Å; N137-G141 WeakPolarHBondContact O-CA 3.46Å; N137-G141 PolarHBondContact O-N 2.94Å; N137-A142 PolarHBondContact N-O 3.19Å; N137-L144 HydrophobicContact CB-CD1 4.06Å; N137-L144 HydrophobicContact CB-CD2 4.18Å; N137-L144 HydrophobicContact CB-CG 4.13Å
138	F	96.3	Very high	97.6	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.009	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-35.5	-177.9	174.4	-92.7	0	0	0	113.1	H80 Y83 I85 K95 D122 I124 W136	H80-F138 HydrophobicContact CB-CE2 4.22Å; H80-F138 AromaticContact CD2-CD2 3.82Å; H80-F138 AromaticContact CD2-CE2 3.46Å; H80-F138 VanDerWaalsContact CD2-CE2 3.46Å; H80-F138 WeakPolarHBondContact CD2-CE2 3.24Å; H80-F138 AromaticContact CD2-CZ 3.59Å; Y83-F138 HydrophobicContact CD2-CE1 4.05Å; Y83-F138 AromaticContact CD2-CZ 3.65Å; Y83-F138 HydrophobicContact CD2-CZ 3.65Å; Y83-F138 HydrophobicContact CE2-CE1 4.45Å; Y83-F138 HydrophobicContact CE2-CZ 4.46Å; Y83-F138 HydrophobicContact CG-CZ 4.18Å; I85-F138 HydrophobicContact CD1-CD2 4.47Å; I85-F138 HydrophobicContact CD1-CE2 3.74Å; I85-F138 HydrophobicContact CG1-CE2 4.01Å; K95-F138 HydrophobicContact CD-CZ 4.46Å; D122-F138 VanDerWaalsContact O-CB 3.24Å; D122-F138 WeakPolarHBondContact O-CB 3.26Å; D122-F138 PolarHBondContact O-N 3.06Å; I124-F138 HydrophobicContact CD1-CD2 3.89Å; I124-F138 HydrophobicContact CG1-CB 4.41Å; I124-F138 HydrophobicContact CG1-CD2 3.88Å; W136-F138 PolarHBondContact O-N 2.85Å
139	H	96	Very high	97.5	Very high	104 Å²	104	43.9 Å²	43.9	48%	0.481	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-45.6	-174.9	-60.7	-65.3	0	0	0	112.4	D122 N137	D122-H139 IonicContact OD1-CD2 3.55Å; D122-H139 IonicContact OD1-CE1 3.78Å; D122-H139 IonicContact OD1-NE2 2.74Å; D122-H139 PolarHBondContact OD1-NE2 3.17Å; N137-H139 VanDerWaalsContact C-N 3.28Å; N137-H139 PolarHBondContact O-N 2.93Å; N137-H139 WeakPolarHBondContact OD1-CA 3.43Å; N137-H139 WeakPolarHBondContact OD1-CB 3.1Å; N137-H139 PolarHBondContact OD1-N 3.35Å
140	T	95.8	Very high	97.5	Very high	88 Å²	88	42.4 Å²	42.4	54%	0.54	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-18.2	-173.5	67.6	0	0	0	0	113.7	N137 A142	N137-T140 WeakPolarHBondContact CB-OG1 3.3Å; N137-T140 PolarHBondContact OD1-N 2.86Å; N137-T140 PolarHBondContact OD1-OG1 3.04Å; T140-A142 PolarHBondContact O-N 3.48Å; T140-A142 WeakPolarHBondContact OG1-CB 3.37Å; T140-A142 PolarHBondContact OG1-N 3.16Å
141	G	95	Very high	97.5	Very high	5 Å²	5	45.6 Å²	45.6	5%	0.052	25%	0.254	C	S	.	.			trans	73.9	5.5	-174	0	0	0	0	0	115.3	Y105 N137	Y105-G141 VanDerWaalsContact CE1-CA 3.44Å; N137-G141 VanDerWaalsContact O-CA 3.3Å; N137-G141 WeakPolarHBondContact O-CA 3.46Å; N137-G141 PolarHBondContact O-N 2.94Å
142	A	97	Very high	97.5	Very high	45 Å²	45	45.7 Å²	45.7	37%	0.372	25%	0.252	S	S	.	.			trans	-68.5	140.2	178.4	0	0	0	0	0	111.6	W136 N137 T140 L144	W136-A142 CarbonylContact C-O 3.56Å; W136-A142 VanDerWaalsContact CA-O 3.32Å; W136-A142 WeakPolarHBondContact CA-O 3.47Å; N137-A142 PolarHBondContact N-O 3.19Å; T140-A142 PolarHBondContact O-N 3.48Å; T140-A142 WeakPolarHBondContact OG1-CB 3.37Å; T140-A142 PolarHBondContact OG1-N 3.16Å; A142-L144 PolarHBondContact O-N 3.3Å
143	I	97.7	Very high	97.5	Very high	80 Å²	80	46.1 Å²	46.1	41%	0.41	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	115.9	167.1	-64.8	173	0	0	0	108.3	I134 W136	I134-I143 HydrophobicContact CG2-CG1 4.16Å; I134-I143 HydrophobicContact CG2-CG2 3.89Å; W136-I143 HydrophobicContact CD2-CG1 4.21Å; W136-I143 HydrophobicContact CE3-CB 4.4Å; W136-I143 HydrophobicContact CE3-CD1 4.44Å; W136-I143 HydrophobicContact CE3-CG1 3.42Å; W136-I143 VanDerWaalsContact CE3-CG1 3.42Å; W136-I143 HydrophobicContact CH2-CD1 3.66Å; W136-I143 HydrophobicContact CH2-CG1 3.52Å; W136-I143 HydrophobicContact CZ2-CG1 4.29Å; W136-I143 HydrophobicContact CZ3-CB 4.39Å; W136-I143 HydrophobicContact CZ3-CD1 3.63Å; W136-I143 HydrophobicContact CZ3-CG1 3.05Å
144	L	96.6	Very high	97.5	Very high	74 Å²	74	46 Å²	46	39%	0.387	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-42.4	174.7	-60.8	178	0	0	0	111	Y123 C135 N137 A142	Y123-L144 HydrophobicContact CD1-CD1 3.59Å; Y123-L144 HydrophobicContact CE1-CD1 3.52Å; C135-L144 PolarHBondContact O-N 3.45Å; N137-L144 HydrophobicContact CB-CD1 4.06Å; N137-L144 HydrophobicContact CB-CD2 4.18Å; N137-L144 HydrophobicContact CB-CG 4.13Å; A142-L144 PolarHBondContact O-N 3.3Å
145	N	97.5	Very high	97.5	Very high	17 Å²	17	47.2 Å²	47.2	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	143.4	-178.4	-52.1	91.2	0	0	0	110.9	I134 C135 F147 L199 S202	I134-N145 WeakPolarHBondContact CA-O 3.45Å; I134-N145 WeakPolarHBondContact CG2-O 2.82Å; C135-N145 HydrophobicContact CB-CB 4.01Å; C135-N145 PolarHBondContact N-O 3.04Å; C135-N145 PolarHBondContact O-N 3.5Å; N145-F147 HydrophobicContact CB-CD1 4.46Å; N145-F147 HydrophobicContact CB-CE1 3.7Å; N145-F147 HydrophobicContact CB-CE2 4.04Å; N145-F147 HydrophobicContact CB-CZ 3.42Å; N145-F147 VanDerWaalsContact CB-CZ 3.42Å; N145-L199 PolarHBondContact ND2-O 2.82Å; N145-L199 PolarHBondContact OD1-O 3.29Å; N145-S202 PolarHBondContact ND2-OG 2.83Å
146	T	98	Very high	97.5	Very high	51 Å²	51	47.5 Å²	47.5	31%	0.313	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	113.3	164.9	-54.4	0	0	0	0	108.6	T132 I134 K148	T132-T146 HydrophobicContact CG2-CG2 4.39Å; I134-T146 HydrophobicContact CG1-CG2 4.16Å; T146-K148 HydrophobicContact CG2-CD 4.49Å; T146-K148 HydrophobicContact CG2-CG 3.98Å; T146-K148 PolarHBondContact O-N 3.3Å
147	F	98.1	Very high	97.5	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	104.8	-179.3	-52.4	-66.2	0	0	0	109.7	A133 C135 N145 V185 W197 L199	A133-F147 HydrophobicContact CB-CB 4.27Å; A133-F147 HydrophobicContact CB-CD2 3.89Å; A133-F147 PolarHBondContact N-O 3.24Å; A133-F147 WeakPolarHBondContact O-CD2 3.46Å; A133-F147 PolarHBondContact O-N 2.89Å; C135-F147 HydrophobicContact CB-CE2 3.94Å; C135-F147 HydrophobicContact CB-CZ 4.14Å; N145-F147 HydrophobicContact CB-CD1 4.46Å; N145-F147 HydrophobicContact CB-CE1 3.7Å; N145-F147 HydrophobicContact CB-CE2 4.04Å; N145-F147 HydrophobicContact CB-CZ 3.42Å; N145-F147 VanDerWaalsContact CB-CZ 3.42Å; F147-V185 HydrophobicContact CD2-CG1 4.45Å; F147-V185 HydrophobicContact CE2-CB 4.25Å; F147-V185 HydrophobicContact CE2-CG1 4.26Å; F147-V185 HydrophobicContact CE2-CG2 4.14Å; F147-V185 HydrophobicContact CZ-CB 4.4Å; F147-V185 HydrophobicContact CZ-CG2 4.23Å; F147-W197 HydrophobicContact CB-CD2 3.7Å; F147-W197 HydrophobicContact CB-CE3 3.78Å; F147-W197 HydrophobicContact CB-CG 4.13Å; F147-W197 HydrophobicContact CB-CH2 4.35Å; F147-W197 HydrophobicContact CB-CZ2 4.26Å; F147-W197 HydrophobicContact CB-CZ3 4.11Å; F147-W197 HydrophobicContact CD1-CB 3.51Å; F147-W197 AromaticContact CD1-CD2 3.93Å; F147-W197 HydrophobicContact CD1-CD2 3.93Å; F147-W197 AromaticContact CD1-CE3 3.95Å; F147-W197 HydrophobicContact CD1-CE3 3.95Å; F147-W197 AromaticContact CD1-CG 3.75Å; F147-W197 HydrophobicContact CD1-CG 3.75Å; F147-W197 HydrophobicContact CE1-CB 3.72Å; F147-W197 HydrophobicContact CE1-CG 4.41Å; F147-W197 HydrophobicContact CG-CB 4.14Å; F147-W197 HydrophobicContact CG-CD2 4.01Å; F147-W197 HydrophobicContact CG-CE3 4.25Å; F147-W197 AromaticContact CG-CG 3.94Å; F147-W197 HydrophobicContact CG-CG 3.94Å; F147-L199 HydrophobicContact CE1-CD2 4.47Å; F147-L199 HydrophobicContact CE2-CD2 4.39Å; F147-L199 HydrophobicContact CZ-CD2 3.6Å
148	K	98	Very high	97.6	Very high	157 Å²	157	46.9 Å²	46.9	68%	0.683	26%	0.259	S	S	*	.			trans	-108.8	136.7	178.9	-60.8	-175.4	-179.6	179.1	0	110.1	T132 T146 W197	T132-K148 HydrophobicContact CG2-CG 4.2Å; T146-K148 HydrophobicContact CG2-CD 4.49Å; T146-K148 HydrophobicContact CG2-CG 3.98Å; T146-K148 PolarHBondContact O-N 3.3Å; K148-W197 WeakPolarHBondContact O-CH2 3.31Å; K148-W197 WeakPolarHBondContact O-CZ3 3.45Å
149	G	97.7	Very high	97.5	Very high	48 Å²	48	47.7 Å²	47.7	50%	0.495	26%	0.262	S	S	.	.			trans	153.6	-13.3	176.3	0	0	0	0	0	114.6
150	H	98.6	Very high	97.3	Very high	13 Å²	13	44.5 Å²	44.5	6%	0.06	25%	0.247	C	C	.	.			trans	-75.6	144.5	167.3	-77.4	-61.1	0	0	0	111.2	V154 T187 S189 D191 T193	H150-V154 HydrophobicContact CB-CG2 4.37Å; H150-T187 PolarHBondContact CD2-OG1 2.83Å; H150-T187 PolarHBondContact NE2-OG1 2.94Å; H150-S189 WeakPolarHBondContact CE1-CB 3.19Å; H150-S189 WeakPolarHBondContact ND1-CB 3.33Å; H150-D191 WeakPolarHBondContact CA-OD2 3.5Å; H150-D191 WeakPolarHBondContact CB-OD2 3.48Å; H150-D191 IonicContact CE1-OD1 3.9Å; H150-D191 IonicContact CE1-OD2 3.56Å; H150-D191 IonicContact CG-OD2 3.41Å; H150-D191 VanDerWaalsContact ND1-CG 3.35Å; H150-D191 IonicContact ND1-OD1 3.77Å; H150-D191 PolarHBondContact ND1-OD1 3.07Å; H150-D191 IonicContact ND1-OD2 3.62Å; H150-D191 PolarHBondContact ND1-OD2 2.91Å; H150-T193 PolarHBondContact CE1-O 3.43Å; H150-T193 PolarHBondContact CE1-OG1 2.97Å; H150-T193 PolarHBondContact ND1-OG1 2.92Å
151	T	98.6	Very high	96.8	Very high	101 Å²	101	41.2 Å²	41.2	62%	0.62	23%	0.23	S	C	*	.	S	Bend	trans	-95.6	-11.3	-179.9	61.1	0	0	0	0	112.8	K131 D191	K131-T151 WeakPolarHBondContact CD-O 3.3Å; T151-D191 PolarHBondContact N-OD2 2.94Å; T151-D191 VanDerWaalsContact OG1-CB 3.24Å; T151-D191 WeakPolarHBondContact OG1-CB 3.18Å
152	R	98.7	Very high	95.6	Very high	110 Å²	110	44.2 Å²	44.2	42%	0.415	25%	0.248	S	C	.	.	S	Bend	trans	-137	171.9	174.9	-63.5	-168.8	58.2	-132.6	-10.2	110.8	S189 A190 D191	R152-S189 PolarHBondContact O-OG 3.44Å; R152-A190 HydrophobicContact CB-CB 4.13Å; R152-A190 VanDerWaalsContact NH1-C 3.29Å; R152-A190 PolarHBondContact NH1-O 3.08Å; R152-D191 HydrophobicContact CB-CB 4.07Å; R152-D191 HydrophobicContact CG-CB 4.25Å
153	L	98.7	Very high	93.8	Very high	27 Å²	27	46.5 Å²	46.5	14%	0.141	26%	0.257	C	S	.	.			trans	-45.4	142	-179.7	60.5	93.3	0	0	0	114	Q129 N155 S189 A190	Q129-L153 HydrophobicContact CB-CB 4.25Å; Q129-L153 HydrophobicContact CG-CB 4.12Å; Q129-L153 HydrophobicContact CG-CD2 4.36Å; L153-N155 HydrophobicContact CD1-CB 4.41Å; L153-N155 WeakPolarHBondContact CD1-OD1 3.36Å; L153-S189 WeakPolarHBondContact O-CA 3.37Å; L153-S189 PolarHBondContact O-OG 2.8Å; L153-A190 HydrophobicContact CD1-CB 3.59Å; L153-A190 HydrophobicContact CD2-CB 4.42Å; L153-A190 HydrophobicContact CG-CB 3.64Å; L153-A190 PolarHBondContact O-N 3.48Å
154	V	98.8	Very high	91.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	115.8	172.8	-179.4	0	0	0	0	108.1	S128 H150 V157 T187	S128-V154 PolarHBondContact O-N 2.64Å; H150-V154 HydrophobicContact CB-CG2 4.37Å; V154-V157 HydrophobicContact CG1-CG1 4Å; V154-T187 HydrophobicContact CG1-CG2 4.12Å
155	N	98.4	Very high	89.5	Confident	29 Å²	29	45.1 Å²	45.1	16%	0.155	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-33.9	-176.6	-87.2	-32.9	0	0	0	113.1	R115 L153 G188 I215	R115-N155 VanDerWaalsContact CD-OD1 3.3Å; R115-N155 WeakPolarHBondContact CD-OD1 3.31Å; L153-N155 HydrophobicContact CD1-CB 4.41Å; L153-N155 WeakPolarHBondContact CD1-OD1 3.36Å; N155-G188 PolarHBondContact N-O 3.22Å; N155-I215 WeakPolarHBondContact CB-O 3.37Å; N155-I215 PolarHBondContact ND2-O 3.35Å
156	A	98.1	Very high	87.2	Confident	5 Å²	5	49 Å²	49	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	144.1	-171.6	0	0	0	0	0	110.3	T187 G188 I218	A156-T187 CarbonylContact O-C 3.59Å; A156-T187 WeakPolarHBondContact O-CA 3.35Å; A156-G188 PolarHBondContact N-O 2.75Å; A156-G188 PolarHBondContact O-N 2.82Å; A156-I218 HydrophobicContact CB-CB 4.38Å; A156-I218 HydrophobicContact CB-CD1 4.25Å; A156-I218 HydrophobicContact CB-CG1 3.79Å; A156-I218 HydrophobicContact CB-CG2 4.19Å
157	V	98.3	Very high	84.9	Confident	4 Å²	4	53 Å²	53	2%	0.024	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.2	175	-59.7	0	0	0	0	108.9	K116 I118 V125 A133 V154 Y186 T187	K116-V157 HydrophobicContact CB-CG2 4.08Å; K116-V157 HydrophobicContact CG-CG2 3.74Å; I118-V157 HydrophobicContact CD1-CG2 4.44Å; I118-V157 HydrophobicContact CG1-CG2 4.19Å; I118-V157 HydrophobicContact CG2-CG2 4.25Å; V125-V157 HydrophobicContact CG1-CB 4.4Å; A133-V157 HydrophobicContact CB-CG1 4.48Å; V154-V157 HydrophobicContact CG1-CG1 4Å; V157-Y186 WeakPolarHBondContact CA-O 3.45Å; V157-T187 HydrophobicContact CG1-CG2 4.23Å
158	T	97.1	Very high	82.5	Confident	23 Å²	23	63.2 Å²	63.2	14%	0.141	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	163.5	167.5	-172.1	0	0	0	0	108.6	Y186 I218 T220 L227	T158-Y186 HydrophobicContact CG2-CD2 4.06Å; T158-Y186 HydrophobicContact CG2-CG 4.28Å; T158-Y186 PolarHBondContact N-O 3.41Å; T158-Y186 PolarHBondContact O-N 3.21Å; T158-I218 HydrophobicContact CG2-CD1 3.77Å; T158-I218 HydrophobicContact CG2-CG1 3.77Å; T158-T220 HydrophobicContact CG2-CG2 3.79Å; T158-L227 HydrophobicContact CG2-CD1 4.15Å
159	Y	95.1	Very high	80.1	Confident	20 Å²	20	60.6 Å²	60.6	8%	0.078	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142	-178.4	168.7	-89.9	0	0	0	109.4	I118 V120 G161 E183 R184 V185 L199	I118-Y159 VanDerWaalsContact CD1-CB 3.49Å; V120-Y159 HydrophobicContact CB-CD1 3.86Å; V120-Y159 HydrophobicContact CB-CE1 4.25Å; V120-Y159 HydrophobicContact CB-CG 4.43Å; V120-Y159 HydrophobicContact CG1-CD1 3.54Å; V120-Y159 HydrophobicContact CG1-CE1 3.58Å; V120-Y159 HydrophobicContact CG2-CD1 3.9Å; V120-Y159 HydrophobicContact CG2-CG 4.3Å; Y159-G161 VanDerWaalsContact CE1-N 3.3Å; Y159-E183 HydrophobicContact CE2-CB 4.05Å; Y159-E183 VanDerWaalsContact OH-CG 3.22Å; Y159-E183 WeakPolarHBondContact OH-CG 3.28Å; Y159-E183 PolarHBondContact OH-OE1 3.34Å; Y159-R184 WeakPolarHBondContact CA-O 3.48Å; Y159-R184 WeakPolarHBondContact CD2-O 3.4Å; Y159-V185 HydrophobicContact CD2-CG2 4.12Å; Y159-L199 HydrophobicContact CD2-CD1 4.22Å; Y159-L199 HydrophobicContact CE2-CD1 3.54Å; Y159-L199 HydrophobicContact CE2-CG 4.26Å
160	F	92.3	Very high	78.4	Confident	36 Å²	36	65.7 Å²	65.7	16%	0.158	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.3	162.2	176.4	-97.6	0	0	0	109.7	F182 R184 Y186 T220 D223 G224	F160-F182 AromaticContact CD1-CD1 3.76Å; F160-F182 HydrophobicContact CD1-CD1 3.76Å; F160-F182 AromaticContact CD1-CE1 3.75Å; F160-F182 HydrophobicContact CD1-CE1 3.75Å; F160-F182 AromaticContact CE1-CD1 3.78Å; F160-F182 HydrophobicContact CE1-CD1 3.78Å; F160-F182 HydrophobicContact CE1-CE1 4.08Å; F160-R184 PolarHBondContact N-O 3.47Å; F160-R184 PolarHBondContact O-N 3.09Å; F160-Y186 HydrophobicContact CB-CE2 4.12Å; F160-T220 HydrophobicContact CB-CG2 4.39Å; F160-D223 WeakPolarHBondContact CD1-O 3.32Å; F160-D223 VanDerWaalsContact CD2-C 3.42Å; F160-D223 WeakPolarHBondContact CE1-O 3.47Å; F160-D223 HydrophobicContact CE2-CB 3.72Å; F160-D223 VanDerWaalsContact CE2-O 3.23Å; F160-D223 WeakPolarHBondContact CE2-O 3.27Å; F160-D223 HydrophobicContact CZ-CB 3.72Å; F160-D223 WeakPolarHBondContact CZ-O 3.5Å; F160-G224 VanDerWaalsContact CG-CA 3.46Å
161	G	84.9	Confident	76.4	Confident	19 Å²	19	71.6 Å²	71.6	20%	0.196	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	151.4	165.4	0	0	0	0	0	114.3	Y159 F182	Y159-G161 VanDerWaalsContact CE1-N 3.3Å; G161-F182 CarbonylContact C-O 3.58Å; G161-F182 WeakPolarHBondContact CA-O 3.43Å
162	T	70.3	Confident	74	Confident	69 Å²	69	72.4 Å²	72.4	42%	0.423	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118	178.5	-54.5	0	0	0	0	108.5	A164 F182	T162-A164 PolarHBondContact O-N 2.83Å; T162-F182 PolarHBondContact N-O 2.71Å
163	V	59.4	Low	72.1	Confident	93 Å²	93	73.6 Å²	73.6	56%	0.564	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-71.9	117.1	163.8	-173	0	0	0	0	106.1	N165	V163-N165 PolarHBondContact O-N 2.97Å
164	A	54.6	Low	69.6	Low	4 Å²	4	78.7 Å²	78.7	3%	0.033	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-63.2	128.3	176.5	0	0	0	0	0	109.3	T162 I166 S177 A179	T162-A164 PolarHBondContact O-N 2.83Å; A164-I166 PolarHBondContact O-N 3.13Å; A164-I166 VanDerWaalsContact O-N 3.15Å; A164-S177 WeakPolarHBondContact CB-OG 3.14Å; A164-A179 HydrophobicContact CB-CB 3.76Å
165	N	48	Very low	67.2	Low	121 Å²	121	84.5 Å²	84.5	65%	0.647	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-63.1	116.5	166.7	-71.4	-24.1	0	0	0	107.9	V163 F167	V163-N165 PolarHBondContact O-N 2.97Å; N165-F167 HydrophobicContact CB-CE2 3.98Å; N165-F167 HydrophobicContact CB-CZ 4.14Å; N165-F167 PolarHBondContact O-N 3.46Å
166	I	49.7	Very low	64.9	Low	98 Å²	98	90.3 Å²	90.3	50%	0.503	47%	0.466	S	S	.	.			trans	-80.2	107.1	174.8	-52.1	168.4	0	0	0	107.4	A164 M175	A164-I166 PolarHBondContact O-N 3.13Å; A164-I166 VanDerWaalsContact O-N 3.15Å; I166-M175 HydrophobicContact CB-CE 4.15Å; I166-M175 HydrophobicContact CD1-CE 4.15Å; I166-M175 HydrophobicContact CG2-CB 3.91Å; I166-M175 HydrophobicContact CG2-CE 3.31Å; I166-M175 HydrophobicContact CG2-CG 3.88Å; I166-M175 HydrophobicContact CG2-SD 3.95Å
167	F	49.5	Very low	62.7	Low	135 Å²	135	92.4 Å²	92.4	59%	0.592	48%	0.48	S	S	*	.	B	Isolated β-bridge	trans	-83.1	130.2	171.1	-64.3	-81.5	0	0	0	109.5	N165	N165-F167 HydrophobicContact CB-CE2 3.98Å; N165-F167 HydrophobicContact CB-CZ 4.14Å; N165-F167 PolarHBondContact O-N 3.46Å
168	R	46.7	Very low	60.3	Low	215 Å²	215	98.2 Å²	98.2	81%	0.811	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-75.5	127.3	161.1	-80.6	-175.6	171.8	177	-1.7	107.6
169	N	49.1	Very low	58.1	Low	103 Å²	103	98.9 Å²	98.9	55%	0.551	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-87.4	121.6	165.5	-168.2	-8.9	0	0	0	107.2	N171 N172	N169-N171 PolarHBondContact O-N 3.3Å; N169-N172 PolarHBondContact O-N 3.28Å
170	D	61.1	Low	56.1	Low	154 Å²	154	109 Å²	109	82%	0.824	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-11.4	-175.1	-72.6	-28.8	0	0	0	113.7
171	N	56.6	Low	54.5	Low	137 Å²	137	113.4 Å²	113.4	73%	0.733	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	-7.9	-173.3	-67.1	-33.8	0	0	0	115.9	N169	N169-N171 PolarHBondContact O-N 3.3Å
172	N	49.7	Very low	54.1	Low	119 Å²	119	114.3 Å²	114.3	64%	0.636	58%	0.582	S	S	*	*			trans	-151.5	135.8	174.3	-80.6	-34.5	0	0	0	109.4	N169 E174	N169-N172 PolarHBondContact O-N 3.28Å; N172-E174 PolarHBondContact O-N 3.24Å
173	S	58.5	Low	55	Low	134 Å²	134	112.9 Å²	112.9	94%	0.937	57%	0.57	S	S	*	*	S	Bend	trans	-65.4	12.6	179.2	54.8	0	0	0	0	115
174	E	46.3	Very low	56.7	Low	134 Å²	134	110.5 Å²	110.5	63%	0.626	55%	0.551	S	S	*	*			trans	-92.2	114.2	178.2	-67.9	-170.4	167.1	0	0	110.5	N172 F176	N172-E174 PolarHBondContact O-N 3.24Å; E174-F176 PolarHBondContact O-N 3.19Å
175	M	47.3	Very low	58.7	Low	122 Å²	122	110.3 Å²	110.3	60%	0.601	55%	0.549	S	S	*	.			trans	-70.8	118.9	169.6	-72.4	178.3	122.8	0	0	109.4	I166	I166-M175 HydrophobicContact CB-CE 4.15Å; I166-M175 HydrophobicContact CD1-CE 4.15Å; I166-M175 HydrophobicContact CG2-CB 3.91Å; I166-M175 HydrophobicContact CG2-CE 3.31Å; I166-M175 HydrophobicContact CG2-CG 3.88Å; I166-M175 HydrophobicContact CG2-SD 3.95Å
176	F	51	Low	61.1	Low	151 Å²	151	104.5 Å²	104.5	66%	0.662	52%	0.518	S	S	*	.	B	Isolated β-bridge	trans	-112.6	116	169.9	-106.1	-89.3	0	0	0	111	E174 T178	E174-F176 PolarHBondContact O-N 3.19Å; F176-T178 PolarHBondContact O-N 3.31Å
177	S	50.2	Low	63.4	Low	50 Å²	50	99.9 Å²	99.9	35%	0.35	49%	0.494	S	S	.	.			trans	-81.1	107	166.8	171.1	0	0	0	0	108.7	A164 A179	A164-S177 WeakPolarHBondContact CB-OG 3.14Å; S177-A179 VanDerWaalsContact C-N 3.33Å; S177-A179 PolarHBondContact OG-O 3.22Å
178	T	47.9	Very low	65.8	Low	125 Å²	125	93.4 Å²	93.4	77%	0.767	47%	0.466	S	S	*	.			trans	-77	-20.5	176.8	53	0	0	0	0	113	F176	F176-T178 PolarHBondContact O-N 3.31Å
179	A	52.4	Low	68.2	Low	38 Å²	38	83.2 Å²	83.2	31%	0.314	43%	0.428	S	S	.	.	S	Bend	trans	-88.7	127.4	175.1	0	0	0	0	0	110.2	A164 S177 H181	A164-A179 HydrophobicContact CB-CB 3.76Å; S177-A179 VanDerWaalsContact C-N 3.33Å; S177-A179 PolarHBondContact OG-O 3.22Å; A179-H181 PolarHBondContact O-N 2.91Å; A179-H181 VanDerWaalsContact O-N 3.12Å
180	R	53.3	Low	70.6	Confident	233 Å²	233	78.3 Å²	78.3	88%	0.879	40%	0.402	S	S	*	.			trans	-53.5	120.9	164.5	-74.9	-179.8	166.3	-176.6	-3	107	F182	R180-F182 VanDerWaalsContact C-N 3.32Å; R180-F182 PolarHBondContact O-N 3.46Å
181	H	58.4	Low	72.4	Confident	127 Å²	127	72.1 Å²	72.1	59%	0.588	37%	0.369	S	S	*	.			trans	-56.8	101.3	166.2	-77.5	7.5	0	0	0	107.8	A179	A179-H181 PolarHBondContact O-N 2.91Å; A179-H181 VanDerWaalsContact O-N 3.12Å
182	F	75.9	Confident	74.4	Confident	39 Å²	39	71.5 Å²	71.5	17%	0.171	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	105.8	178.5	-174.5	-98.4	0	0	0	106.7	F160 G161 T162 R180 R184 E242	F160-F182 AromaticContact CD1-CD1 3.76Å; F160-F182 HydrophobicContact CD1-CD1 3.76Å; F160-F182 AromaticContact CD1-CE1 3.75Å; F160-F182 HydrophobicContact CD1-CE1 3.75Å; F160-F182 AromaticContact CE1-CD1 3.78Å; F160-F182 HydrophobicContact CE1-CD1 3.78Å; F160-F182 HydrophobicContact CE1-CE1 4.08Å; G161-F182 CarbonylContact C-O 3.58Å; G161-F182 WeakPolarHBondContact CA-O 3.43Å; T162-F182 PolarHBondContact N-O 2.71Å; R180-F182 VanDerWaalsContact C-N 3.32Å; R180-F182 PolarHBondContact O-N 3.46Å; F182-R184 HydrophobicContact CD1-CG 4.27Å; F182-R184 HydrophobicContact CE1-CB 4.37Å; F182-R184 HydrophobicContact CE1-CG 3.54Å; F182-R184 HydrophobicContact CE2-CG 3.89Å; F182-R184 HydrophobicContact CZ-CG 3.33Å; F182-E242 WeakPolarHBondContact CE2-OE1 3.24Å; F182-E242 WeakPolarHBondContact CZ-OE1 3.39Å
183	E	89.4	Confident	76.8	Confident	39 Å²	39	66.8 Å²	66.8	18%	0.182	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.5	174.3	-61.2	-173.9	109.2	0	0	108.4	Y159 L199	Y159-E183 HydrophobicContact CE2-CB 4.05Å; Y159-E183 VanDerWaalsContact OH-CG 3.22Å; Y159-E183 WeakPolarHBondContact OH-CG 3.28Å; Y159-E183 PolarHBondContact OH-OE1 3.34Å; E183-L199 HydrophobicContact CB-CB 4.04Å; E183-L199 HydrophobicContact CB-CD1 3.98Å; E183-L199 HydrophobicContact CB-CG 4.15Å
184	R	94.2	Very high	78.7	Confident	42 Å²	42	60.4 Å²	60.4	16%	0.158	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.8	-179.2	-65.8	-64.6	-179.7	-108	1.4	110.6	Y159 F160 F182 Y186 S196 W197 I205	Y159-R184 WeakPolarHBondContact CA-O 3.48Å; Y159-R184 WeakPolarHBondContact CD2-O 3.4Å; F160-R184 PolarHBondContact N-O 3.47Å; F160-R184 PolarHBondContact O-N 3.09Å; F182-R184 HydrophobicContact CD1-CG 4.27Å; F182-R184 HydrophobicContact CE1-CB 4.37Å; F182-R184 HydrophobicContact CE1-CG 3.54Å; F182-R184 HydrophobicContact CE2-CG 3.89Å; F182-R184 HydrophobicContact CZ-CG 3.33Å; R184-Y186 HydrophobicContact CB-CD2 4.33Å; R184-Y186 HydrophobicContact CB-CE1 4.46Å; R184-Y186 HydrophobicContact CB-CE2 3.62Å; R184-S196 WeakPolarHBondContact CD-OG 3.4Å; R184-W197 WeakPolarHBondContact CA-O 3.37Å; R184-W197 WeakPolarHBondContact CD-O 3.3Å; R184-I205 VanDerWaalsContact NH2-CD1 3.3Å
185	V	96.9	Very high	81.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137.1	159.7	170.6	0	0	0	0	107.3	V125 F147 Y159 T187 S196 W197 L199	V125-V185 HydrophobicContact CG1-CG1 3.7Å; V125-V185 HydrophobicContact CG1-CG2 3.97Å; V125-V185 HydrophobicContact CG2-CG2 3.94Å; F147-V185 HydrophobicContact CD2-CG1 4.45Å; F147-V185 HydrophobicContact CE2-CB 4.25Å; F147-V185 HydrophobicContact CE2-CG1 4.26Å; F147-V185 HydrophobicContact CE2-CG2 4.14Å; F147-V185 HydrophobicContact CZ-CB 4.4Å; F147-V185 HydrophobicContact CZ-CG2 4.23Å; Y159-V185 HydrophobicContact CD2-CG2 4.12Å; V185-T187 HydrophobicContact CG1-CG2 4.12Å; V185-S196 CarbonylContact O-C 3.56Å; V185-S196 WeakPolarHBondContact O-CA 3.27Å; V185-W197 HydrophobicContact CB-CB 4.42Å; V185-W197 PolarHBondContact N-O 3.14Å; V185-W197 VanDerWaalsContact N-O 3.15Å; V185-W197 VanDerWaalsContact O-CD1 3.29Å; V185-W197 PolarHBondContact O-N 3.37Å; V185-L199 HydrophobicContact CG2-CD2 3.45Å; V185-L199 VanDerWaalsContact CG2-CD2 3.45Å; V185-L199 HydrophobicContact CG2-CG 4.14Å
186	Y	98.4	Very high	83.6	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.1	170.1	-56.5	-90.2	0	0	0	108.9	V157 T158 F160 R184 K195 S196 F208 I218 T220 L227 T241	V157-Y186 WeakPolarHBondContact CA-O 3.45Å; T158-Y186 HydrophobicContact CG2-CD2 4.06Å; T158-Y186 HydrophobicContact CG2-CG 4.28Å; T158-Y186 PolarHBondContact N-O 3.41Å; T158-Y186 PolarHBondContact O-N 3.21Å; F160-Y186 HydrophobicContact CB-CE2 4.12Å; R184-Y186 HydrophobicContact CB-CD2 4.33Å; R184-Y186 HydrophobicContact CB-CE1 4.46Å; R184-Y186 HydrophobicContact CB-CE2 3.62Å; Y186-K195 CarbonylContact C-O 3.58Å; Y186-K195 VanDerWaalsContact CA-O 3.26Å; Y186-K195 WeakPolarHBondContact CA-O 3.31Å; Y186-S196 VanDerWaalsContact CE1-OG 3.22Å; Y186-S196 WeakPolarHBondContact CE1-OG 3.49Å; Y186-F208 HydrophobicContact CD1-CE2 4.17Å; Y186-F208 HydrophobicContact CD1-CZ 4.48Å; Y186-F208 HydrophobicContact CE1-CE2 4.46Å; Y186-F208 HydrophobicContact CE1-CZ 4.34Å; Y186-I218 VanDerWaalsContact O-CD1 3.32Å; Y186-I218 WeakPolarHBondContact O-CD1 3.19Å; Y186-T220 HydrophobicContact CD2-CG2 3.91Å; Y186-T220 HydrophobicContact CE2-CG2 3.89Å; Y186-L227 HydrophobicContact CD1-CD1 4.19Å; Y186-L227 HydrophobicContact CD1-CD2 4.03Å; Y186-L227 HydrophobicContact CG-CD1 4.03Å; Y186-T241 HydrophobicContact CE1-CG2 3.79Å; Y186-T241 WeakPolarHBondContact OH-CB 3.29Å
187	T	98.8	Very high	85.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.9	179.2	56.1	0	0	0	0	109.8	A133 H150 V154 A156 V157 V185 A194 K195 W197	A133-T187 HydrophobicContact CB-CG2 3.63Å; H150-T187 PolarHBondContact CD2-OG1 2.83Å; H150-T187 PolarHBondContact NE2-OG1 2.94Å; V154-T187 HydrophobicContact CG1-CG2 4.12Å; A156-T187 CarbonylContact O-C 3.59Å; A156-T187 WeakPolarHBondContact O-CA 3.35Å; V157-T187 HydrophobicContact CG1-CG2 4.23Å; V185-T187 HydrophobicContact CG1-CG2 4.12Å; T187-A194 CarbonylContact O-C 3.45Å; T187-A194 WeakPolarHBondContact O-CA 3.24Å; T187-A194 VanDerWaalsContact O-CB 3.3Å; T187-A194 WeakPolarHBondContact O-CB 3.45Å; T187-K195 PolarHBondContact N-O 2.89Å; T187-K195 PolarHBondContact O-N 3.37Å; T187-W197 PolarHBondContact OG1-NE1 2.86Å
188	G	98.8	Very high	87.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126	172.3	0	0	0	0	0	109.1	N155 A156	N155-G188 PolarHBondContact N-O 3.22Å; A156-G188 PolarHBondContact N-O 2.75Å; A156-G188 PolarHBondContact O-N 2.82Å
189	S	98.8	Very high	89.9	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	158.6	-171.8	174.5	0	0	0	0	112.8	H150 R152 L153 D191 R192 T193 I215	H150-S189 WeakPolarHBondContact CE1-CB 3.19Å; H150-S189 WeakPolarHBondContact ND1-CB 3.33Å; R152-S189 PolarHBondContact O-OG 3.44Å; L153-S189 WeakPolarHBondContact O-CA 3.37Å; L153-S189 PolarHBondContact O-OG 2.8Å; S189-D191 VanDerWaalsContact CB-OD1 3.26Å; S189-D191 WeakPolarHBondContact CB-OD1 3.2Å; S189-D191 PolarHBondContact O-N 2.91Å; S189-D191 VanDerWaalsContact OG-CG 3.23Å; S189-D191 PolarHBondContact OG-N 2.89Å; S189-D191 PolarHBondContact OG-OD1 3.5Å; S189-D191 PolarHBondContact OG-OD2 2.95Å; S189-R192 PolarHBondContact O-N 2.89Å; S189-R192 VanDerWaalsContact O-N 3.16Å; S189-T193 PolarHBondContact N-O 2.88Å; S189-I215 PolarHBondContact O-N 2.81Å
190	A	98.8	Very high	91.6	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.008	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-8	169.3	0	0	0	0	0	113	R152 L153 R192 P214	R152-A190 HydrophobicContact CB-CB 4.13Å; R152-A190 VanDerWaalsContact NH1-C 3.29Å; R152-A190 PolarHBondContact NH1-O 3.08Å; L153-A190 HydrophobicContact CD1-CB 3.59Å; L153-A190 HydrophobicContact CD2-CB 4.42Å; L153-A190 HydrophobicContact CG-CB 3.64Å; L153-A190 PolarHBondContact O-N 3.48Å; A190-R192 PolarHBondContact O-N 2.88Å; A190-P214 HydrophobicContact CB-CB 3.91Å; A190-P214 HydrophobicContact CB-CG 4.13Å
191	D	98.8	Very high	93.4	Very high	24 Å²	24	35.2 Å²	35.2	13%	0.128	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	5.8	166.9	71.1	15.6	0	0	0	113.6	H150 T151 R152 S189 T193	H150-D191 WeakPolarHBondContact CA-OD2 3.5Å; H150-D191 WeakPolarHBondContact CB-OD2 3.48Å; H150-D191 IonicContact CE1-OD1 3.9Å; H150-D191 IonicContact CE1-OD2 3.56Å; H150-D191 IonicContact CG-OD2 3.41Å; H150-D191 VanDerWaalsContact ND1-CG 3.35Å; H150-D191 IonicContact ND1-OD1 3.77Å; H150-D191 PolarHBondContact ND1-OD1 3.07Å; H150-D191 IonicContact ND1-OD2 3.62Å; H150-D191 PolarHBondContact ND1-OD2 2.91Å; T151-D191 PolarHBondContact N-OD2 2.94Å; T151-D191 VanDerWaalsContact OG1-CB 3.24Å; T151-D191 WeakPolarHBondContact OG1-CB 3.18Å; R152-D191 HydrophobicContact CB-CB 4.07Å; R152-D191 HydrophobicContact CG-CB 4.25Å; S189-D191 VanDerWaalsContact CB-OD1 3.26Å; S189-D191 WeakPolarHBondContact CB-OD1 3.2Å; S189-D191 PolarHBondContact O-N 2.91Å; S189-D191 VanDerWaalsContact OG-CG 3.23Å; S189-D191 PolarHBondContact OG-N 2.89Å; S189-D191 PolarHBondContact OG-OD1 3.5Å; S189-D191 PolarHBondContact OG-OD2 2.95Å; D191-T193 PolarHBondContact O-N 2.79Å; D191-T193 WeakPolarHBondContact OD1-CB 3.2Å; D191-T193 PolarHBondContact OD1-N 2.82Å; D191-T193 PolarHBondContact OD1-OG1 2.82Å
192	R	98.8	Very high	95.1	Very high	124 Å²	124	31.1 Å²	31.1	47%	0.468	14%	0.14	S	C	.	.	S	Bend	trans	77	2	175.9	-41.9	164.6	-180	170.2	0.3	113.4	S189 A190 T212	S189-R192 PolarHBondContact O-N 2.89Å; S189-R192 VanDerWaalsContact O-N 3.16Å; A190-R192 PolarHBondContact O-N 2.88Å; R192-T212 WeakPolarHBondContact CD-O 3.32Å; R192-T212 PolarHBondContact NE-O 3.14Å
193	T	98.8	Very high	96	Very high	19 Å²	19	36.3 Å²	36.3	12%	0.117	16%	0.163	C	C	.	.			trans	-105.7	148.5	177.2	72.8	0	0	0	0	110.8	H150 S189 D191 T207 E209 I215	H150-T193 PolarHBondContact CE1-O 3.43Å; H150-T193 PolarHBondContact CE1-OG1 2.97Å; H150-T193 PolarHBondContact ND1-OG1 2.92Å; S189-T193 PolarHBondContact N-O 2.88Å; D191-T193 PolarHBondContact O-N 2.79Å; D191-T193 WeakPolarHBondContact OD1-CB 3.2Å; D191-T193 PolarHBondContact OD1-N 2.82Å; D191-T193 PolarHBondContact OD1-OG1 2.82Å; T193-T207 HydrophobicContact CG2-CG2 4.07Å; T193-E209 HydrophobicContact CG2-CG 4.25Å; T193-I215 WeakPolarHBondContact O-CD1 3.45Å
194	A	98.9	Very high	96.4	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	153.5	156	0	0	0	0	0	109.2	T187 F208 I215 L227 T229	T187-A194 CarbonylContact O-C 3.45Å; T187-A194 WeakPolarHBondContact O-CA 3.24Å; T187-A194 VanDerWaalsContact O-CB 3.3Å; T187-A194 WeakPolarHBondContact O-CB 3.45Å; A194-F208 HydrophobicContact CB-CB 4.13Å; A194-F208 HydrophobicContact CB-CD2 3.88Å; A194-F208 HydrophobicContact CB-CG 4.42Å; A194-F208 PolarHBondContact N-O 2.95Å; A194-F208 WeakPolarHBondContact O-CD2 3.28Å; A194-F208 PolarHBondContact O-N 2.95Å; A194-I215 HydrophobicContact CB-CD1 3.72Å; A194-I215 VanDerWaalsContact N-CD1 3.34Å; A194-L227 HydrophobicContact CB-CD2 4.02Å; A194-T229 HydrophobicContact CB-CG2 3.78Å
195	K	98.8	Very high	96.5	Very high	26 Å²	26	38.7 Å²	38.7	11%	0.113	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	146	177	-69.6	177.6	-174.2	-71.8	0	110.7	Y186 T187 W197 V206 T207	Y186-K195 CarbonylContact C-O 3.58Å; Y186-K195 VanDerWaalsContact CA-O 3.26Å; Y186-K195 WeakPolarHBondContact CA-O 3.31Å; T187-K195 PolarHBondContact N-O 2.89Å; T187-K195 PolarHBondContact O-N 3.37Å; K195-W197 HydrophobicContact CB-CZ2 3.65Å; K195-W197 HydrophobicContact CD-CH2 3.79Å; K195-W197 HydrophobicContact CD-CZ2 3.48Å; K195-W197 VanDerWaalsContact CD-CZ2 3.48Å; K195-W197 HydrophobicContact CG-CZ2 4.18Å; K195-V206 CarbonylContact C-O 3.6Å; K195-V206 VanDerWaalsContact CA-O 3.32Å; K195-V206 WeakPolarHBondContact CA-O 3.34Å; K195-T207 HydrophobicContact CG-CG2 4.13Å; K195-T207 VanDerWaalsContact NZ-CG2 3.28Å; K195-T207 PolarHBondContact NZ-OG1 2.8Å
196	S	98.1	Very high	96.5	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.9	169.1	-174.5	0	0	0	0	109.6	R184 V185 Y186 C204 I205 V206	R184-S196 WeakPolarHBondContact CD-OG 3.4Å; V185-S196 CarbonylContact O-C 3.56Å; V185-S196 WeakPolarHBondContact O-CA 3.27Å; Y186-S196 VanDerWaalsContact CE1-OG 3.22Å; Y186-S196 WeakPolarHBondContact CE1-OG 3.49Å; S196-C204 WeakPolarHBondContact O-CA 3.21Å; S196-I205 PolarHBondContact O-N 2.64Å; S196-V206 PolarHBondContact N-O 3.02Å
197	W	97.6	Very high	96.6	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.011	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.1	-174.3	-48.4	88.3	0	0	0	111.2	F147 K148 R184 V185 T187 K195 K203 C204	F147-W197 HydrophobicContact CB-CD2 3.7Å; F147-W197 HydrophobicContact CB-CE3 3.78Å; F147-W197 HydrophobicContact CB-CG 4.13Å; F147-W197 HydrophobicContact CB-CH2 4.35Å; F147-W197 HydrophobicContact CB-CZ2 4.26Å; F147-W197 HydrophobicContact CB-CZ3 4.11Å; F147-W197 HydrophobicContact CD1-CB 3.51Å; F147-W197 AromaticContact CD1-CD2 3.93Å; F147-W197 HydrophobicContact CD1-CD2 3.93Å; F147-W197 AromaticContact CD1-CE3 3.95Å; F147-W197 HydrophobicContact CD1-CE3 3.95Å; F147-W197 AromaticContact CD1-CG 3.75Å; F147-W197 HydrophobicContact CD1-CG 3.75Å; F147-W197 HydrophobicContact CE1-CB 3.72Å; F147-W197 HydrophobicContact CE1-CG 4.41Å; F147-W197 HydrophobicContact CG-CB 4.14Å; F147-W197 HydrophobicContact CG-CD2 4.01Å; F147-W197 HydrophobicContact CG-CE3 4.25Å; F147-W197 AromaticContact CG-CG 3.94Å; F147-W197 HydrophobicContact CG-CG 3.94Å; K148-W197 WeakPolarHBondContact O-CH2 3.31Å; K148-W197 WeakPolarHBondContact O-CZ3 3.45Å; R184-W197 WeakPolarHBondContact CA-O 3.37Å; R184-W197 WeakPolarHBondContact CD-O 3.3Å; V185-W197 HydrophobicContact CB-CB 4.42Å; V185-W197 PolarHBondContact N-O 3.14Å; V185-W197 VanDerWaalsContact N-O 3.15Å; V185-W197 VanDerWaalsContact O-CD1 3.29Å; V185-W197 PolarHBondContact O-N 3.37Å; T187-W197 PolarHBondContact OG1-NE1 2.86Å; K195-W197 HydrophobicContact CB-CZ2 3.65Å; K195-W197 HydrophobicContact CD-CH2 3.79Å; K195-W197 HydrophobicContact CD-CZ2 3.48Å; K195-W197 VanDerWaalsContact CD-CZ2 3.48Å; K195-W197 HydrophobicContact CG-CZ2 4.18Å; W197-K203 WeakPolarHBondContact CA-O 3.37Å; W197-C204 HydrophobicContact CD2-CB 4.48Å; W197-C204 HydrophobicContact CE3-CB 3.76Å; W197-C204 HydrophobicContact CH2-CB 4.18Å; W197-C204 HydrophobicContact CZ3-CB 3.59Å
198	S	93.5	Very high	96.5	Very high	7 Å²	7	41.8 Å²	41.8	5%	0.049	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	120.3	169.7	177.9	0	0	0	0	110.5	R200 T201 S202 K203	S198-R200 PolarHBondContact O-N 2.84Å; S198-R200 PolarHBondContact OG-N 2.77Å; S198-T201 WeakPolarHBondContact CB-OG1 3.35Å; S198-T201 PolarHBondContact O-N 3.46Å; S198-T201 PolarHBondContact OG-N 3.01Å; S198-T201 PolarHBondContact OG-OG1 3.16Å; S198-S202 VanDerWaalsContact O-CA 3.31Å; S198-S202 WeakPolarHBondContact O-CA 3.41Å; S198-S202 PolarHBondContact O-N 3.43Å; S198-K203 PolarHBondContact N-O 3.36Å
199	L	90.3	Very high	96.5	Very high	12 Å²	12	48.5 Å²	48.5	6%	0.063	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-33.9	168.8	-80.1	-162.3	0	0	0	112	Y123 C135 N145 F147 Y159 E183 V185 T201	Y123-L199 HydrophobicContact CD2-CD1 4.11Å; Y123-L199 HydrophobicContact CE2-CD1 3.92Å; C135-L199 HydrophobicContact CB-CD2 4.16Å; N145-L199 PolarHBondContact ND2-O 2.82Å; N145-L199 PolarHBondContact OD1-O 3.29Å; F147-L199 HydrophobicContact CE1-CD2 4.47Å; F147-L199 HydrophobicContact CE2-CD2 4.39Å; F147-L199 HydrophobicContact CZ-CD2 3.6Å; Y159-L199 HydrophobicContact CD2-CD1 4.22Å; Y159-L199 HydrophobicContact CE2-CD1 3.54Å; Y159-L199 HydrophobicContact CE2-CG 4.26Å; E183-L199 HydrophobicContact CB-CB 4.04Å; E183-L199 HydrophobicContact CB-CD1 3.98Å; E183-L199 HydrophobicContact CB-CG 4.15Å; V185-L199 HydrophobicContact CG2-CD2 3.45Å; V185-L199 VanDerWaalsContact CG2-CD2 3.45Å; V185-L199 HydrophobicContact CG2-CG 4.14Å; L199-T201 PolarHBondContact O-N 2.9Å
200	R	88.4	Confident	96.5	Very high	215 Å²	215	50 Å²	50	81%	0.811	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-31.1	-178.6	-176.7	169.2	61.2	97.9	-2	113.9	S198	S198-R200 PolarHBondContact O-N 2.84Å; S198-R200 PolarHBondContact OG-N 2.77Å
201	T	91.2	Very high	96.5	Very high	60 Å²	60	50.6 Å²	50.6	37%	0.368	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-4.4	-169.7	62.7	0	0	0	0	114.3	S198 L199 K203	S198-T201 WeakPolarHBondContact CB-OG1 3.35Å; S198-T201 PolarHBondContact O-N 3.46Å; S198-T201 PolarHBondContact OG-N 3.01Å; S198-T201 PolarHBondContact OG-OG1 3.16Å; L199-T201 PolarHBondContact O-N 2.9Å; T201-K203 PolarHBondContact O-N 3.22Å
202	S	93.4	Very high	96.5	Very high	41 Å²	41	53.4 Å²	53.4	29%	0.287	27%	0.269	S	S	.	.			trans	58.8	4.6	-171.6	-49.6	0	0	0	0	115.2	N145 S198	N145-S202 PolarHBondContact ND2-OG 2.83Å; S198-S202 VanDerWaalsContact O-CA 3.31Å; S198-S202 WeakPolarHBondContact O-CA 3.41Å; S198-S202 PolarHBondContact O-N 3.43Å
203	K	95.9	Very high	96.5	Very high	148 Å²	148	51.3 Å²	51.3	64%	0.643	27%	0.265	S	S	*	.			trans	-81.9	141.1	-176.3	-67.4	-176.9	178.8	-177.1	0	110.8	W197 S198 T201	W197-K203 WeakPolarHBondContact CA-O 3.37Å; S198-K203 PolarHBondContact N-O 3.36Å; T201-K203 PolarHBondContact O-N 3.22Å
204	C	97.6	Very high	96.5	Very high	53 Å²	53	51 Å²	51	36%	0.358	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	131.1	164.3	-174.5	0	0	0	0	108.9	S196 W197	S196-C204 WeakPolarHBondContact O-CA 3.21Å; W197-C204 HydrophobicContact CD2-CB 4.48Å; W197-C204 HydrophobicContact CE3-CB 3.76Å; W197-C204 HydrophobicContact CH2-CB 4.18Å; W197-C204 HydrophobicContact CZ3-CB 3.59Å
205	I	96.1	Very high	96.5	Very high	78 Å²	78	51 Å²	51	40%	0.4	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-49.7	-179.8	-61.3	167.5	0	0	0	109.9	R184 S196	R184-I205 VanDerWaalsContact NH2-CD1 3.3Å; S196-I205 PolarHBondContact O-N 2.64Å
206	V	97.9	Very high	96.5	Very high	17 Å²	17	51.5 Å²	51.5	10%	0.103	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.6	-178.8	-177.5	0	0	0	0	108.8	K195 S196 F208 G244	K195-V206 CarbonylContact C-O 3.6Å; K195-V206 VanDerWaalsContact CA-O 3.32Å; K195-V206 WeakPolarHBondContact CA-O 3.34Å; S196-V206 PolarHBondContact N-O 3.02Å; V206-F208 HydrophobicContact CB-CE1 4.36Å; V206-F208 HydrophobicContact CB-CE2 4.2Å; V206-F208 HydrophobicContact CB-CZ 3.95Å; V206-F208 HydrophobicContact CG1-CD1 3.87Å; V206-F208 HydrophobicContact CG1-CD2 4.34Å; V206-F208 HydrophobicContact CG1-CE1 3.58Å; V206-F208 HydrophobicContact CG1-CE2 4.05Å; V206-F208 HydrophobicContact CG1-CG 4.25Å; V206-F208 HydrophobicContact CG1-CZ 3.66Å; V206-G244 VanDerWaalsContact CG1-CA 3.42Å
207	T	98.5	Very high	96.5	Very high	47 Å²	47	52.3 Å²	52.3	29%	0.288	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.9	163.9	-58.8	0	0	0	0	107.7	T193 K195 E209	T193-T207 HydrophobicContact CG2-CG2 4.07Å; K195-T207 HydrophobicContact CG-CG2 4.13Å; K195-T207 VanDerWaalsContact NZ-CG2 3.28Å; K195-T207 PolarHBondContact NZ-OG1 2.8Å; T207-E209 HydrophobicContact CG2-CG 3.73Å
208	F	98.7	Very high	96.5	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	106	178.6	-52.1	-85.9	0	0	0	108.4	Y186 A194 V206 L227 W239	Y186-F208 HydrophobicContact CD1-CE2 4.17Å; Y186-F208 HydrophobicContact CD1-CZ 4.48Å; Y186-F208 HydrophobicContact CE1-CE2 4.46Å; Y186-F208 HydrophobicContact CE1-CZ 4.34Å; A194-F208 HydrophobicContact CB-CB 4.13Å; A194-F208 HydrophobicContact CB-CD2 3.88Å; A194-F208 HydrophobicContact CB-CG 4.42Å; A194-F208 PolarHBondContact N-O 2.95Å; A194-F208 WeakPolarHBondContact O-CD2 3.28Å; A194-F208 PolarHBondContact O-N 2.95Å; V206-F208 HydrophobicContact CB-CE1 4.36Å; V206-F208 HydrophobicContact CB-CE2 4.2Å; V206-F208 HydrophobicContact CB-CZ 3.95Å; V206-F208 HydrophobicContact CG1-CD1 3.87Å; V206-F208 HydrophobicContact CG1-CD2 4.34Å; V206-F208 HydrophobicContact CG1-CE1 3.58Å; V206-F208 HydrophobicContact CG1-CE2 4.05Å; V206-F208 HydrophobicContact CG1-CG 4.25Å; V206-F208 HydrophobicContact CG1-CZ 3.66Å; F208-L227 HydrophobicContact CD2-CD2 3.69Å; F208-L227 HydrophobicContact CE2-CD2 3.6Å; F208-L227 HydrophobicContact CG-CD2 4.25Å; F208-L227 HydrophobicContact CZ-CD2 4.05Å; F208-W239 HydrophobicContact CB-CD2 3.94Å; F208-W239 HydrophobicContact CB-CE3 4.18Å; F208-W239 HydrophobicContact CB-CG 4.26Å; F208-W239 HydrophobicContact CB-CZ2 4.43Å; F208-W239 HydrophobicContact CD1-CB 3.48Å; F208-W239 VanDerWaalsContact CD1-CB 3.48Å; F208-W239 AromaticContact CD1-CD2 3.99Å; F208-W239 HydrophobicContact CD1-CD2 3.99Å; F208-W239 HydrophobicContact CD1-CE3 4.23Å; F208-W239 AromaticContact CD1-CG 3.65Å; F208-W239 HydrophobicContact CD1-CG 3.65Å; F208-W239 HydrophobicContact CE1-CB 3.72Å; F208-W239 HydrophobicContact CE1-CG 4.34Å; F208-W239 HydrophobicContact CG-CB 4.44Å; F208-W239 HydrophobicContact CG-CD2 4.35Å; F208-W239 HydrophobicContact CG-CG 4.19Å
209	E	98.2	Very high	96.7	Very high	140 Å²	140	54.3 Å²	54.3	65%	0.654	28%	0.284	S	S	*	.			trans	-109.5	135.7	-176.3	-59.6	-171	165.8	0	0	111	T193 T207 W239	T193-E209 HydrophobicContact CG2-CG 4.25Å; T207-E209 HydrophobicContact CG2-CG 3.73Å; E209-W239 VanDerWaalsContact O-CH2 3.24Å; E209-W239 WeakPolarHBondContact O-CH2 3.39Å; E209-W239 WeakPolarHBondContact O-CZ3 3.49Å
210	G	98.3	Very high	97	Very high	32 Å²	32	55.5 Å²	55.5	33%	0.33	29%	0.292	S	S	.	.			trans	162.4	-29.3	172.9	0	0	0	0	0	114.1	R237	G210-R237 PolarHBondContact O-NH1 2.94Å; G210-R237 PolarHBondContact O-NH2 3.3Å
211	H	98.7	Very high	97.3	Very high	13 Å²	13	46.4 Å²	46.4	6%	0.06	26%	0.258	C	S	.	.			trans	-63	142	173	-79.5	-64.8	0	0	0	111.3	T229 S231 D233 T235	H211-T229 PolarHBondContact CD2-OG1 3.2Å; H211-T229 PolarHBondContact NE2-O 3.29Å; H211-T229 VanDerWaalsContact NE2-O 3.14Å; H211-T229 PolarHBondContact NE2-OG1 3.06Å; H211-S231 VanDerWaalsContact CE1-CB 3.47Å; H211-S231 WeakPolarHBondContact CE1-CB 3.46Å; H211-S231 WeakPolarHBondContact ND1-CB 3.48Å; H211-D233 WeakPolarHBondContact CA-OD2 3.26Å; H211-D233 WeakPolarHBondContact CB-OD2 3.37Å; H211-D233 IonicContact CE1-OD1 3.28Å; H211-D233 IonicContact CE1-OD2 2.64Å; H211-D233 IonicContact CG-OD2 3.02Å; H211-D233 VanDerWaalsContact ND1-CG 3.33Å; H211-D233 IonicContact ND1-OD1 3.39Å; H211-D233 PolarHBondContact ND1-OD1 2.83Å; H211-D233 IonicContact ND1-OD2 3.98Å; H211-D233 PolarHBondContact ND1-OD2 3.41Å; H211-T235 PolarHBondContact CE1-O 3.37Å; H211-T235 PolarHBondContact CE1-OG1 3.21Å; H211-T235 PolarHBondContact ND1-OG1 3.02Å
212	T	98.6	Very high	97.4	Very high	83 Å²	83	47.6 Å²	47.6	51%	0.509	26%	0.258	S	S	.	.	S	Bend	trans	-98.5	-8.8	-178.8	61.1	0	0	0	0	112.6	R192 D233	R192-T212 WeakPolarHBondContact CD-O 3.32Å; R192-T212 PolarHBondContact NE-O 3.14Å; T212-D233 PolarHBondContact N-OD2 3.31Å; T212-D233 VanDerWaalsContact OG1-CB 3.3Å; T212-D233 WeakPolarHBondContact OG1-CB 3.04Å
213	Q	98.9	Very high	97.1	Very high	81 Å²	81	52 Å²	52	38%	0.379	28%	0.278	S	S	.	.	S	Bend	trans	-139.7	165.9	178.7	-65.6	-63.6	-24.2	0	0	110.8	I215 S231 I232 D233	Q213-I215 PolarHBondContact O-N 3.46Å; Q213-S231 PolarHBondContact O-OG 2.95Å; Q213-I232 HydrophobicContact CB-CB 3.78Å; Q213-I232 HydrophobicContact CB-CG2 3.98Å; Q213-I232 HydrophobicContact CG-CG2 4.37Å; Q213-D233 HydrophobicContact CB-CB 3.85Å; Q213-D233 HydrophobicContact CG-CB 4.05Å
214	P	98.8	Very high	96.9	Very high	12 Å²	12	45 Å²	45	8%	0.078	25%	0.248	C	C	.	.			trans	-46.5	135.9	-177.4	-36.6	41.1	0	0	0	115	A190 S231 I232	A190-P214 HydrophobicContact CB-CB 3.91Å; A190-P214 HydrophobicContact CB-CG 4.13Å; P214-S231 WeakPolarHBondContact O-CA 3.44Å; P214-S231 WeakPolarHBondContact O-CB 3.45Å; P214-S231 PolarHBondContact O-OG 2.76Å; P214-I232 HydrophobicContact CB-CD1 3.73Å; P214-I232 HydrophobicContact CB-CG1 4.15Å; P214-I232 HydrophobicContact CG-CD1 3.95Å; P214-I232 PolarHBondContact O-N 2.98Å
215	I	98.9	Very high	96.8	Very high	1 Å²	1	48 Å²	48	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	134.5	169	-63.2	-178.2	0	0	0	108.8	N155 S189 T193 A194 Q213 I218 T229 A230	N155-I215 WeakPolarHBondContact CB-O 3.37Å; N155-I215 PolarHBondContact ND2-O 3.35Å; S189-I215 PolarHBondContact O-N 2.81Å; T193-I215 WeakPolarHBondContact O-CD1 3.45Å; A194-I215 HydrophobicContact CB-CD1 3.72Å; A194-I215 VanDerWaalsContact N-CD1 3.34Å; Q213-I215 PolarHBondContact O-N 3.46Å; I215-I218 HydrophobicContact CG2-CG2 3.69Å; I215-T229 HydrophobicContact CD1-CG2 4.24Å; I215-A230 CarbonylContact C-O 3.44Å; I215-A230 WeakPolarHBondContact CA-O 3.22Å; I215-A230 WeakPolarHBondContact CG2-O 3.44Å
216	T	98.6	Very high	96.8	Very high	36 Å²	36	44.5 Å²	44.5	22%	0.221	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-36.4	-175.8	52.5	0	0	0	0	112.7	A230 I232 T256 I257	T216-A230 PolarHBondContact N-O 3.05Å; T216-A230 PolarHBondContact OG1-O 2.92Å; T216-I232 HydrophobicContact CG2-CD1 4.48Å; T216-I232 HydrophobicContact CG2-CG1 3.64Å; T216-T256 HydrophobicContact CG2-CG2 4.07Å; T216-I257 VanDerWaalsContact CB-O 3.32Å; T216-I257 WeakPolarHBondContact CB-O 2.92Å; T216-I257 PolarHBondContact OG1-O 2.85Å
217	A	98.1	Very high	96.8	Very high	17 Å²	17	43.7 Å²	43.7	14%	0.14	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	151.5	179.9	0	0	0	0	0	111	A230 M260	A217-A230 HydrophobicContact CB-CB 4.33Å; A217-A230 PolarHBondContact O-N 3.17Å; A217-M260 HydrophobicContact CB-CB 4.02Å; A217-M260 HydrophobicContact CB-CE 4.19Å
218	I	98.5	Very high	96.8	Very high	12 Å²	12	41.5 Å²	41.5	6%	0.062	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.3	174.3	69.7	-177.9	0	0	0	110.5	A156 T158 Y186 I215 L227 L228 T229 M260	A156-I218 HydrophobicContact CB-CB 4.38Å; A156-I218 HydrophobicContact CB-CD1 4.25Å; A156-I218 HydrophobicContact CB-CG1 3.79Å; A156-I218 HydrophobicContact CB-CG2 4.19Å; T158-I218 HydrophobicContact CG2-CD1 3.77Å; T158-I218 HydrophobicContact CG2-CG1 3.77Å; Y186-I218 VanDerWaalsContact O-CD1 3.32Å; Y186-I218 WeakPolarHBondContact O-CD1 3.19Å; I215-I218 HydrophobicContact CG2-CG2 3.69Å; I218-L227 HydrophobicContact CB-CD1 4.3Å; I218-L228 WeakPolarHBondContact CA-O 3.23Å; I218-T229 HydrophobicContact CG2-CG2 3.92Å; I218-M260 VanDerWaalsContact C-CE 3.43Å; I218-M260 VanDerWaalsContact CA-CE 3.48Å
219	E	97.5	Very high	96.9	Very high	41 Å²	41	41.4 Å²	41.4	19%	0.192	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	153.2	173.1	-68.9	-171.8	-158.5	0	0	110.1	L228 M260 H261 I262	E219-L228 PolarHBondContact N-O 2.62Å; E219-L228 VanDerWaalsContact N-O 3.07Å; E219-L228 PolarHBondContact O-N 2.79Å; E219-M260 HydrophobicContact CB-CE 3.93Å; E219-M260 HydrophobicContact CG-CE 3.87Å; E219-H261 VanDerWaalsContact OE1-CA 3.26Å; E219-H261 WeakPolarHBondContact OE1-CA 3.45Å; E219-H261 PolarHBondContact OE1-N 3.41Å; E219-I262 HydrophobicContact CB-CD1 3.63Å; E219-I262 HydrophobicContact CB-CG1 4.37Å; E219-I262 WeakPolarHBondContact OE2-CB 3.3Å; E219-I262 WeakPolarHBondContact OE2-CD1 3.34Å; E219-I262 WeakPolarHBondContact OE2-CG1 3.24Å; E219-I262 PolarHBondContact OE2-N 2.92Å
220	T	96.5	Very high	96.9	Very high	37 Å²	37	34.7 Å²	34.7	23%	0.227	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	149.2	175.2	45.8	0	0	0	0	111	T158 F160 Y186 I226 L227	T158-T220 HydrophobicContact CG2-CG2 3.79Å; F160-T220 HydrophobicContact CB-CG2 4.39Å; Y186-T220 HydrophobicContact CD2-CG2 3.91Å; Y186-T220 HydrophobicContact CE2-CG2 3.89Å; T220-I226 CarbonylContact C-O 3.58Å; T220-I226 WeakPolarHBondContact CA-O 3.22Å; T220-L227 HydrophobicContact CG2-CD1 4.3Å
221	F	95.5	Very high	96.9	Very high	23 Å²	23	33.2 Å²	33.2	10%	0.101	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	157	178	-179.6	-119	0	0	0	110.7	G224 E225 I226 I262 K265 I281 E282	F221-G224 PolarHBondContact O-N 3.48Å; F221-E225 PolarHBondContact O-N 3.4Å; F221-I226 HydrophobicContact CB-CB 4.25Å; F221-I226 HydrophobicContact CD1-CB 4.41Å; F221-I226 HydrophobicContact CD1-CD1 4.06Å; F221-I226 PolarHBondContact N-O 3.17Å; F221-I226 PolarHBondContact O-N 2.89Å; F221-I226 VanDerWaalsContact O-N 3.09Å; F221-I262 HydrophobicContact CB-CD1 4.18Å; F221-I262 HydrophobicContact CD2-CG2 4.06Å; F221-K265 HydrophobicContact CE2-CB 4.15Å; F221-K265 HydrophobicContact CE2-CG 4.18Å; F221-K265 HydrophobicContact CZ-CB 3.84Å; F221-K265 HydrophobicContact CZ-CG 3.91Å; F221-I281 HydrophobicContact CD1-CB 4.19Å; F221-I281 HydrophobicContact CD1-CD1 4.35Å; F221-I281 HydrophobicContact CD1-CG2 3.43Å; F221-I281 VanDerWaalsContact CD1-CG2 3.43Å; F221-I281 HydrophobicContact CD2-CD1 4.03Å; F221-I281 HydrophobicContact CE1-CB 4.04Å; F221-I281 HydrophobicContact CE1-CG2 3.71Å; F221-I281 HydrophobicContact CE2-CD1 4.27Å; F221-I281 HydrophobicContact CG-CD1 4.09Å; F221-I281 HydrophobicContact CG-CG2 4.09Å; F221-E282 HydrophobicContact CE1-CG 4.41Å
222	K	91.9	Very high	96.9	Very high	85 Å²	85	35.8 Å²	35.8	37%	0.37	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	64.2	-176.1	-75.4	178.9	177.5	-173.7	0	112	G224 E225 I226 E282	K222-G224 PolarHBondContact O-N 3.14Å; K222-G224 VanDerWaalsContact O-N 3.1Å; K222-E225 HydrophobicContact CB-CB 4.19Å; K222-E225 VanDerWaalsContact O-CB 3.27Å; K222-E225 WeakPolarHBondContact O-CB 3.35Å; K222-E225 VanDerWaalsContact O-CG 3.24Å; K222-E225 WeakPolarHBondContact O-CG 3.35Å; K222-E225 PolarHBondContact O-N 3.46Å; K222-I226 HydrophobicContact CD-CD1 4.1Å; K222-E282 IonicContact NZ-OE1 2.82Å
223	D	87.9	Confident	96.9	Very high	133 Å²	133	32.8 Å²	32.8	71%	0.711	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	48.1	177.7	-55.1	-36.1	0	0	0	112.1	F160 E225	F160-D223 WeakPolarHBondContact CD1-O 3.32Å; F160-D223 VanDerWaalsContact CD2-C 3.42Å; F160-D223 WeakPolarHBondContact CE1-O 3.47Å; F160-D223 HydrophobicContact CE2-CB 3.72Å; F160-D223 VanDerWaalsContact CE2-O 3.23Å; F160-D223 WeakPolarHBondContact CE2-O 3.27Å; F160-D223 HydrophobicContact CZ-CB 3.72Å; F160-D223 WeakPolarHBondContact CZ-O 3.5Å; D223-E225 PolarHBondContact O-N 2.81Å; D223-E225 VanDerWaalsContact O-N 3.16Å
224	G	91.9	Very high	96.9	Very high	2 Å²	2	31.4 Å²	31.4	2%	0.021	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	8.6	176.9	0	0	0	0	0	116.4	F160 F221 K222 I226 T241	F160-G224 VanDerWaalsContact CG-CA 3.46Å; F221-G224 PolarHBondContact O-N 3.48Å; K222-G224 PolarHBondContact O-N 3.14Å; K222-G224 VanDerWaalsContact O-N 3.1Å; G224-I226 VanDerWaalsContact C-N 3.29Å; G224-T241 VanDerWaalsContact O-CB 3.3Å; G224-T241 WeakPolarHBondContact O-CB 3.24Å; G224-T241 WeakPolarHBondContact O-CG2 3.45Å; G224-T241 PolarHBondContact O-OG1 3.44Å
225	E	93.9	Very high	96.9	Very high	117 Å²	117	31.8 Å²	31.8	55%	0.547	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-28.5	173.3	-69.6	178.1	-179.2	0	0	112.6	F221 K222 D223 T241	F221-E225 PolarHBondContact O-N 3.4Å; K222-E225 HydrophobicContact CB-CB 4.19Å; K222-E225 VanDerWaalsContact O-CB 3.27Å; K222-E225 WeakPolarHBondContact O-CB 3.35Å; K222-E225 VanDerWaalsContact O-CG 3.24Å; K222-E225 WeakPolarHBondContact O-CG 3.35Å; K222-E225 PolarHBondContact O-N 3.46Å; D223-E225 PolarHBondContact O-N 2.81Å; D223-E225 VanDerWaalsContact O-N 3.16Å; E225-T241 WeakPolarHBondContact CA-OG1 3.47Å; E225-T241 PolarHBondContact O-N 3.17Å; E225-T241 PolarHBondContact O-OG1 3.09Å; E225-T241 VanDerWaalsContact O-OG1 3.08Å
226	I	97.3	Very high	96.9	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.4	-178.5	-61.8	174.8	0	0	0	109.8	T220 F221 K222 G224 W239	T220-I226 CarbonylContact C-O 3.58Å; T220-I226 WeakPolarHBondContact CA-O 3.22Å; F221-I226 HydrophobicContact CB-CB 4.25Å; F221-I226 HydrophobicContact CD1-CB 4.41Å; F221-I226 HydrophobicContact CD1-CD1 4.06Å; F221-I226 PolarHBondContact N-O 3.17Å; F221-I226 PolarHBondContact O-N 2.89Å; F221-I226 VanDerWaalsContact O-N 3.09Å; K222-I226 HydrophobicContact CD-CD1 4.1Å; G224-I226 VanDerWaalsContact C-N 3.29Å; I226-W239 VanDerWaalsContact CA-O 3.3Å; I226-W239 WeakPolarHBondContact CA-O 3.32Å
227	L	98.5	Very high	96.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.4	167.8	-179.2	70.5	0	0	0	109	T158 Y186 A194 F208 I218 T220 T229 S238 W239 T241	T158-L227 HydrophobicContact CG2-CD1 4.15Å; Y186-L227 HydrophobicContact CD1-CD1 4.19Å; Y186-L227 HydrophobicContact CD1-CD2 4.03Å; Y186-L227 HydrophobicContact CG-CD1 4.03Å; A194-L227 HydrophobicContact CB-CD2 4.02Å; F208-L227 HydrophobicContact CD2-CD2 3.69Å; F208-L227 HydrophobicContact CE2-CD2 3.6Å; F208-L227 HydrophobicContact CG-CD2 4.25Å; F208-L227 HydrophobicContact CZ-CD2 4.05Å; I218-L227 HydrophobicContact CB-CD1 4.3Å; T220-L227 HydrophobicContact CG2-CD1 4.3Å; L227-T229 HydrophobicContact CD2-CG2 3.95Å; L227-T229 HydrophobicContact CG-CG2 4.04Å; L227-S238 CarbonylContact O-C 3.53Å; L227-S238 VanDerWaalsContact O-CA 3.28Å; L227-S238 WeakPolarHBondContact O-CA 3.47Å; L227-W239 PolarHBondContact N-O 2.91Å; L227-W239 VanDerWaalsContact O-CD1 3.29Å; L227-W239 PolarHBondContact O-N 2.94Å; L227-T241 HydrophobicContact CB-CG2 3.76Å
228	L	98.8	Very high	97	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.2	169.5	-76.7	161.5	0	0	0	109.6	I218 E219 I236 R237 F250 M260 I262 L267 I281	I218-L228 WeakPolarHBondContact CA-O 3.23Å; E219-L228 PolarHBondContact N-O 2.62Å; E219-L228 VanDerWaalsContact N-O 3.07Å; E219-L228 PolarHBondContact O-N 2.79Å; L228-I236 HydrophobicContact CB-CG2 4.5Å; L228-I236 HydrophobicContact CD2-CG2 3.9Å; L228-R237 CarbonylContact C-O 3.56Å; L228-R237 WeakPolarHBondContact CA-O 3.48Å; L228-F250 HydrophobicContact CD2-CE2 3.7Å; L228-F250 HydrophobicContact CD2-CZ 4.07Å; L228-M260 HydrophobicContact CB-CE 4.19Å; L228-M260 HydrophobicContact CB-SD 4.29Å; L228-I262 HydrophobicContact CD1-CD1 3.56Å; L228-I262 HydrophobicContact CD1-CG1 4.09Å; L228-L267 HydrophobicContact CD1-CD1 4.22Å; L228-L267 HydrophobicContact CD1-CD2 4.45Å; L228-L267 HydrophobicContact CD2-CD2 4.31Å; L228-I281 HydrophobicContact CD1-CD1 3.84Å; L228-I281 HydrophobicContact CD1-CG1 4.04Å; L228-I281 HydrophobicContact CD1-CG2 4.03Å
229	T	98.9	Very high	97	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.8	179.5	59.3	0	0	0	0	110.3	A194 H211 I215 I218 L227 I236 R237 W239	A194-T229 HydrophobicContact CB-CG2 3.78Å; H211-T229 PolarHBondContact CD2-OG1 3.2Å; H211-T229 PolarHBondContact NE2-O 3.29Å; H211-T229 VanDerWaalsContact NE2-O 3.14Å; H211-T229 PolarHBondContact NE2-OG1 3.06Å; I215-T229 HydrophobicContact CD1-CG2 4.24Å; I218-T229 HydrophobicContact CG2-CG2 3.92Å; L227-T229 HydrophobicContact CD2-CG2 3.95Å; L227-T229 HydrophobicContact CG-CG2 4.04Å; T229-I236 CarbonylContact O-C 3.59Å; T229-I236 WeakPolarHBondContact O-CA 3.29Å; T229-I236 WeakPolarHBondContact O-CG2 3.39Å; T229-R237 PolarHBondContact N-O 2.62Å; T229-R237 PolarHBondContact O-N 2.99Å; T229-W239 PolarHBondContact OG1-NE1 2.87Å
230	A	98.8	Very high	97	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	151.2	174.5	0	0	0	0	0	110.7	I215 T216 A217 I236 I257 M260	I215-A230 CarbonylContact C-O 3.44Å; I215-A230 WeakPolarHBondContact CA-O 3.22Å; I215-A230 WeakPolarHBondContact CG2-O 3.44Å; T216-A230 PolarHBondContact N-O 3.05Å; T216-A230 PolarHBondContact OG1-O 2.92Å; A217-A230 HydrophobicContact CB-CB 4.33Å; A217-A230 PolarHBondContact O-N 3.17Å; A230-I236 HydrophobicContact CB-CG1 4.14Å; A230-I257 HydrophobicContact CB-CB 4.05Å; A230-I257 HydrophobicContact CB-CG2 3.64Å; A230-M260 HydrophobicContact CB-SD 3.99Å
231	S	98.8	Very high	97	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	164.1	-171.8	174.2	0	0	0	0	114.3	H211 Q213 P214 D233 N234 T235 I257	H211-S231 VanDerWaalsContact CE1-CB 3.47Å; H211-S231 WeakPolarHBondContact CE1-CB 3.46Å; H211-S231 WeakPolarHBondContact ND1-CB 3.48Å; Q213-S231 PolarHBondContact O-OG 2.95Å; P214-S231 WeakPolarHBondContact O-CA 3.44Å; P214-S231 WeakPolarHBondContact O-CB 3.45Å; P214-S231 PolarHBondContact O-OG 2.76Å; S231-D233 VanDerWaalsContact CB-OD1 3.29Å; S231-D233 WeakPolarHBondContact CB-OD1 3.28Å; S231-D233 PolarHBondContact O-N 3.03Å; S231-D233 VanDerWaalsContact OG-CG 3.31Å; S231-D233 PolarHBondContact OG-N 2.97Å; S231-D233 PolarHBondContact OG-OD1 2.78Å; S231-N234 PolarHBondContact O-N 3.03Å; S231-T235 PolarHBondContact N-O 3.03Å; S231-I257 PolarHBondContact O-N 2.95Å
232	I	98.9	Very high	96.9	Very high	68 Å²	68	36.5 Å²	36.5	35%	0.349	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.4	164.1	-61.1	-173.8	0	0	0	111.8	Q213 P214 T216 N234 T256	Q213-I232 HydrophobicContact CB-CB 3.78Å; Q213-I232 HydrophobicContact CB-CG2 3.98Å; Q213-I232 HydrophobicContact CG-CG2 4.37Å; P214-I232 HydrophobicContact CB-CD1 3.73Å; P214-I232 HydrophobicContact CB-CG1 4.15Å; P214-I232 HydrophobicContact CG-CD1 3.95Å; P214-I232 PolarHBondContact O-N 2.98Å; T216-I232 HydrophobicContact CG2-CD1 4.48Å; T216-I232 HydrophobicContact CG2-CG1 3.64Å; I232-N234 PolarHBondContact O-N 3.11Å; I232-N234 VanDerWaalsContact O-N 3.16Å; I232-N234 PolarHBondContact O-OD1 2.87Å; I232-N234 VanDerWaalsContact O-OD1 3.12Å; I232-T256 HydrophobicContact CB-CG2 4.31Å; I232-T256 HydrophobicContact CG1-CG2 3.78Å
233	D	98.8	Very high	97.1	Very high	20 Å²	20	36 Å²	36	11%	0.107	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	8.2	176.4	69.9	16.1	0	0	0	113.9	H211 T212 Q213 S231 T235	H211-D233 WeakPolarHBondContact CA-OD2 3.26Å; H211-D233 WeakPolarHBondContact CB-OD2 3.37Å; H211-D233 IonicContact CE1-OD1 3.28Å; H211-D233 IonicContact CE1-OD2 2.64Å; H211-D233 IonicContact CG-OD2 3.02Å; H211-D233 VanDerWaalsContact ND1-CG 3.33Å; H211-D233 IonicContact ND1-OD1 3.39Å; H211-D233 PolarHBondContact ND1-OD1 2.83Å; H211-D233 IonicContact ND1-OD2 3.98Å; H211-D233 PolarHBondContact ND1-OD2 3.41Å; T212-D233 PolarHBondContact N-OD2 3.31Å; T212-D233 VanDerWaalsContact OG1-CB 3.3Å; T212-D233 WeakPolarHBondContact OG1-CB 3.04Å; Q213-D233 HydrophobicContact CB-CB 3.85Å; Q213-D233 HydrophobicContact CG-CB 4.05Å; S231-D233 VanDerWaalsContact CB-OD1 3.29Å; S231-D233 WeakPolarHBondContact CB-OD1 3.28Å; S231-D233 PolarHBondContact O-N 3.03Å; S231-D233 VanDerWaalsContact OG-CG 3.31Å; S231-D233 PolarHBondContact OG-N 2.97Å; S231-D233 PolarHBondContact OG-OD1 2.78Å; D233-T235 PolarHBondContact O-N 2.89Å; D233-T235 WeakPolarHBondContact OD1-CB 3.41Å; D233-T235 PolarHBondContact OD1-N 3.23Å; D233-T235 PolarHBondContact OD1-OG1 3.35Å
234	N	98.7	Very high	97.5	Very high	51 Å²	51	30.6 Å²	30.6	27%	0.273	16%	0.159	S	C	.	.	S	Bend	trans	69.4	10.5	178.6	-41.1	-33.2	0	0	0	114.3	S231 I232 H253 G255 T256 I257	S231-N234 PolarHBondContact O-N 3.03Å; I232-N234 PolarHBondContact O-N 3.11Å; I232-N234 VanDerWaalsContact O-N 3.16Å; I232-N234 PolarHBondContact O-OD1 2.87Å; I232-N234 VanDerWaalsContact O-OD1 3.12Å; N234-H253 HydrophobicContact CB-CB 4.45Å; N234-H253 WeakPolarHBondContact CB-O 3.44Å; N234-G255 WeakPolarHBondContact OD1-CA 3.48Å; N234-G255 PolarHBondContact OD1-N 3.07Å; N234-G255 PolarHBondContact OD1-O 3.28Å; N234-T256 PolarHBondContact OD1-N 2.87Å; N234-T256 VanDerWaalsContact OD1-N 3.1Å; N234-I257 VanDerWaalsContact C-CD1 3.44Å
235	T	98.8	Very high	97.8	Very high	20 Å²	20	34.4 Å²	34.4	12%	0.123	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	151.8	177.4	71.8	0	0	0	0	112	H211 S231 D233 V249 V251 I257	H211-T235 PolarHBondContact CE1-O 3.37Å; H211-T235 PolarHBondContact CE1-OG1 3.21Å; H211-T235 PolarHBondContact ND1-OG1 3.02Å; S231-T235 PolarHBondContact N-O 3.03Å; D233-T235 PolarHBondContact O-N 2.89Å; D233-T235 WeakPolarHBondContact OD1-CB 3.41Å; D233-T235 PolarHBondContact OD1-N 3.23Å; D233-T235 PolarHBondContact OD1-OG1 3.35Å; T235-V249 HydrophobicContact CG2-CG1 4.03Å; T235-V251 HydrophobicContact CG2-CG2 4.48Å; T235-I257 VanDerWaalsContact O-CD1 3.25Å; T235-I257 WeakPolarHBondContact O-CD1 3.13Å
236	I	98.9	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	147.1	156.3	-51.7	90	0	0	0	107.2	L228 T229 A230 V249 F250 I257 M260 L267 T269 W279	L228-I236 HydrophobicContact CB-CG2 4.5Å; L228-I236 HydrophobicContact CD2-CG2 3.9Å; T229-I236 CarbonylContact O-C 3.59Å; T229-I236 WeakPolarHBondContact O-CA 3.29Å; T229-I236 WeakPolarHBondContact O-CG2 3.39Å; A230-I236 HydrophobicContact CB-CG1 4.14Å; I236-V249 CarbonylContact O-C 3.6Å; I236-V249 WeakPolarHBondContact O-CA 3.46Å; I236-F250 HydrophobicContact CB-CB 3.92Å; I236-F250 HydrophobicContact CB-CD2 3.87Å; I236-F250 HydrophobicContact CB-CG 4.14Å; I236-F250 HydrophobicContact CD1-CB 4.13Å; I236-F250 HydrophobicContact CG2-CD2 4.01Å; I236-F250 HydrophobicContact CG2-CE2 4.5Å; I236-F250 PolarHBondContact N-O 3.33Å; I236-F250 WeakPolarHBondContact O-CD2 3.38Å; I236-F250 PolarHBondContact O-N 3.36Å; I236-I257 HydrophobicContact CD1-CD1 3.53Å; I236-I257 HydrophobicContact CD1-CG1 4.37Å; I236-I257 HydrophobicContact CG1-CD1 3.84Å; I236-M260 HydrophobicContact CG2-SD 4.24Å; I236-L267 HydrophobicContact CB-CD2 4.41Å; I236-L267 HydrophobicContact CG1-CD2 4.31Å; I236-L267 HydrophobicContact CG2-CD2 3.94Å; I236-T269 HydrophobicContact CD1-CG2 3.82Å; I236-T269 HydrophobicContact CG1-CG2 4.01Å; I236-W279 HydrophobicContact CD1-CZ2 4.17Å
237	R	98.8	Very high	98.1	Very high	37 Å²	37	34.2 Å²	34.2	14%	0.14	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.6	170.2	-64.4	176.1	-178.1	-124.2	4.1	110	G210 L228 T229 W239 F248 V249	G210-R237 PolarHBondContact O-NH1 2.94Å; G210-R237 PolarHBondContact O-NH2 3.3Å; L228-R237 CarbonylContact C-O 3.56Å; L228-R237 WeakPolarHBondContact CA-O 3.48Å; T229-R237 PolarHBondContact N-O 2.62Å; T229-R237 PolarHBondContact O-N 2.99Å; R237-W239 HydrophobicContact CB-CH2 4.33Å; R237-W239 HydrophobicContact CB-CZ2 3.45Å; R237-W239 VanDerWaalsContact CB-CZ2 3.45Å; R237-W239 HydrophobicContact CG-CZ2 4.01Å; R237-F248 WeakPolarHBondContact CA-O 3.46Å; R237-V249 HydrophobicContact CG-CG1 4.25Å; R237-V249 HydrophobicContact CG-CG2 4.3Å
238	S	98.6	Very high	98.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	145.1	167.3	59.8	0	0	0	0	110.7	L227 Q247 F248	L227-S238 CarbonylContact O-C 3.53Å; L227-S238 VanDerWaalsContact O-CA 3.28Å; L227-S238 WeakPolarHBondContact O-CA 3.47Å; S238-Q247 PolarHBondContact O-N 3.41Å; S238-Q247 WeakPolarHBondContact OG-CB 3.25Å; S238-Q247 PolarHBondContact OG-OE1 3.45Å; S238-F248 PolarHBondContact N-O 3.16Å; S238-F248 PolarHBondContact OG-N 3.4Å; S238-F248 VanDerWaalsContact OG-N 3.09Å
239	W	98.6	Very high	98.1	Very high	7 Å²	7	39.6 Å²	39.6	3%	0.027	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.2	-175.8	-41.1	87.1	0	0	0	109.9	F208 E209 I226 L227 T229 R237 T241 V245 Q246	F208-W239 HydrophobicContact CB-CD2 3.94Å; F208-W239 HydrophobicContact CB-CE3 4.18Å; F208-W239 HydrophobicContact CB-CG 4.26Å; F208-W239 HydrophobicContact CB-CZ2 4.43Å; F208-W239 HydrophobicContact CD1-CB 3.48Å; F208-W239 VanDerWaalsContact CD1-CB 3.48Å; F208-W239 AromaticContact CD1-CD2 3.99Å; F208-W239 HydrophobicContact CD1-CD2 3.99Å; F208-W239 HydrophobicContact CD1-CE3 4.23Å; F208-W239 AromaticContact CD1-CG 3.65Å; F208-W239 HydrophobicContact CD1-CG 3.65Å; F208-W239 HydrophobicContact CE1-CB 3.72Å; F208-W239 HydrophobicContact CE1-CG 4.34Å; F208-W239 HydrophobicContact CG-CB 4.44Å; F208-W239 HydrophobicContact CG-CD2 4.35Å; F208-W239 HydrophobicContact CG-CG 4.19Å; E209-W239 VanDerWaalsContact O-CH2 3.24Å; E209-W239 WeakPolarHBondContact O-CH2 3.39Å; E209-W239 WeakPolarHBondContact O-CZ3 3.49Å; I226-W239 VanDerWaalsContact CA-O 3.3Å; I226-W239 WeakPolarHBondContact CA-O 3.32Å; L227-W239 PolarHBondContact N-O 2.91Å; L227-W239 VanDerWaalsContact O-CD1 3.29Å; L227-W239 PolarHBondContact O-N 2.94Å; T229-W239 PolarHBondContact OG1-NE1 2.87Å; R237-W239 HydrophobicContact CB-CH2 4.33Å; R237-W239 HydrophobicContact CB-CZ2 3.45Å; R237-W239 VanDerWaalsContact CB-CZ2 3.45Å; R237-W239 HydrophobicContact CG-CZ2 4.01Å; W239-T241 PolarHBondContact O-N 3.14Å; W239-V245 WeakPolarHBondContact CA-O 3.26Å; W239-Q246 HydrophobicContact CD2-CB 4.47Å; W239-Q246 HydrophobicContact CD2-CG 4.36Å; W239-Q246 HydrophobicContact CE3-CB 3.56Å; W239-Q246 HydrophobicContact CE3-CG 3.84Å; W239-Q246 HydrophobicContact CH2-CB 4.38Å; W239-Q246 HydrophobicContact CH2-CG 4.15Å; W239-Q246 HydrophobicContact CZ3-CB 3.51Å; W239-Q246 HydrophobicContact CZ3-CG 3.73Å
240	F	98	Very high	98	Very high	89 Å²	89	39.6 Å²	39.6	39%	0.39	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	122.7	163.5	-64.7	-66.9	0	0	0	108.9	E242 S243 G244 V245 Q247	F240-E242 PolarHBondContact O-N 2.9Å; F240-S243 WeakPolarHBondContact CB-OG 3.33Å; F240-G244 WeakPolarHBondContact O-CA 3.22Å; F240-G244 PolarHBondContact O-N 2.91Å; F240-V245 HydrophobicContact CD2-CB 4.19Å; F240-V245 HydrophobicContact CD2-CG1 4.32Å; F240-V245 PolarHBondContact N-O 3.19Å; F240-Q247 HydrophobicContact CD2-CB 4.36Å; F240-Q247 HydrophobicContact CE2-CB 3.93Å; F240-Q247 HydrophobicContact CE2-CG 4.1Å; F240-Q247 HydrophobicContact CZ-CB 4.18Å; F240-Q247 HydrophobicContact CZ-CG 3.93Å
241	T	96	Very high	98	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.031	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-31.4	-169.7	51.5	0	0	0	0	114	Y186 G224 E225 L227 W239	Y186-T241 HydrophobicContact CE1-CG2 3.79Å; Y186-T241 WeakPolarHBondContact OH-CB 3.29Å; G224-T241 VanDerWaalsContact O-CB 3.3Å; G224-T241 WeakPolarHBondContact O-CB 3.24Å; G224-T241 WeakPolarHBondContact O-CG2 3.45Å; G224-T241 PolarHBondContact O-OG1 3.44Å; E225-T241 WeakPolarHBondContact CA-OG1 3.47Å; E225-T241 PolarHBondContact O-N 3.17Å; E225-T241 PolarHBondContact O-OG1 3.09Å; E225-T241 VanDerWaalsContact O-OG1 3.08Å; L227-T241 HydrophobicContact CB-CG2 3.76Å; W239-T241 PolarHBondContact O-N 3.14Å
242	E	93.8	Very high	98	Very high	129 Å²	129	44.8 Å²	44.8	60%	0.603	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-45	178.2	-73.2	-60.5	139	0	0	112.8	F182 F240	F182-E242 WeakPolarHBondContact CE2-OE1 3.24Å; F182-E242 WeakPolarHBondContact CZ-OE1 3.39Å; F240-E242 PolarHBondContact O-N 2.9Å
243	S	95.8	Very high	98	Very high	75 Å²	75	41.9 Å²	41.9	52%	0.524	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-19.1	-173	64.3	0	0	0	0	113.8	F240 V245	F240-S243 WeakPolarHBondContact CB-OG 3.33Å; S243-V245 PolarHBondContact O-N 3.1Å; S243-V245 WeakPolarHBondContact OG-CB 3.31Å; S243-V245 WeakPolarHBondContact OG-CG2 3.5Å; S243-V245 PolarHBondContact OG-N 3.12Å
244	G	97.3	Very high	98	Very high	18 Å²	18	48.6 Å²	48.6	19%	0.186	26%	0.256	C	S	.	.			trans	74.3	1	-170.7	0	0	0	0	0	114.6	V206 F240 Q246	V206-G244 VanDerWaalsContact CG1-CA 3.42Å; F240-G244 WeakPolarHBondContact O-CA 3.22Å; F240-G244 PolarHBondContact O-N 2.91Å; G244-Q246 PolarHBondContact O-N 2.96Å
245	V	98.3	Very high	97.9	Very high	83 Å²	83	46.8 Å²	46.8	50%	0.503	25%	0.249	S	C	.	.			trans	-69.2	129.1	-178.8	173.6	0	0	0	0	109.8	W239 F240 S243 Q247	W239-V245 WeakPolarHBondContact CA-O 3.26Å; F240-V245 HydrophobicContact CD2-CB 4.19Å; F240-V245 HydrophobicContact CD2-CG1 4.32Å; F240-V245 PolarHBondContact N-O 3.19Å; S243-V245 PolarHBondContact O-N 3.1Å; S243-V245 WeakPolarHBondContact OG-CB 3.31Å; S243-V245 WeakPolarHBondContact OG-CG2 3.5Å; S243-V245 PolarHBondContact OG-N 3.12Å; V245-Q247 PolarHBondContact O-N 3.15Å
246	Q	98.6	Very high	97.9	Very high	70 Å²	70	47.1 Å²	47.1	33%	0.327	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	128	173.2	-166	-174.4	-94.1	0	0	110.4	W239 G244	W239-Q246 HydrophobicContact CD2-CB 4.47Å; W239-Q246 HydrophobicContact CD2-CG 4.36Å; W239-Q246 HydrophobicContact CE3-CB 3.56Å; W239-Q246 HydrophobicContact CE3-CG 3.84Å; W239-Q246 HydrophobicContact CH2-CB 4.38Å; W239-Q246 HydrophobicContact CH2-CG 4.15Å; W239-Q246 HydrophobicContact CZ3-CB 3.51Å; W239-Q246 HydrophobicContact CZ3-CG 3.73Å; G244-Q246 PolarHBondContact O-N 2.96Å
247	Q	97.8	Very high	97.9	Very high	47 Å²	47	47.1 Å²	47.1	22%	0.22	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-57.7	176	-176.7	-165.8	25.4	0	0	110.7	S238 F240 V245	S238-Q247 PolarHBondContact O-N 3.41Å; S238-Q247 WeakPolarHBondContact OG-CB 3.25Å; S238-Q247 PolarHBondContact OG-OE1 3.45Å; F240-Q247 HydrophobicContact CD2-CB 4.36Å; F240-Q247 HydrophobicContact CE2-CB 3.93Å; F240-Q247 HydrophobicContact CE2-CG 4.1Å; F240-Q247 HydrophobicContact CZ-CB 4.18Å; F240-Q247 HydrophobicContact CZ-CG 3.93Å; V245-Q247 PolarHBondContact O-N 3.15Å
248	F	98.5	Very high	97.9	Very high	60 Å²	60	47.9 Å²	47.9	26%	0.263	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	155.7	-179.1	-58.7	-56.9	0	0	0	113	R237 S238 F250 E282	R237-F248 WeakPolarHBondContact CA-O 3.46Å; S238-F248 PolarHBondContact N-O 3.16Å; S238-F248 PolarHBondContact OG-N 3.4Å; S238-F248 VanDerWaalsContact OG-N 3.09Å; F248-F250 HydrophobicContact CB-CD2 4.45Å; F248-F250 HydrophobicContact CB-CE2 3.97Å; F248-F250 HydrophobicContact CB-CZ 4.23Å; F248-F250 HydrophobicContact CD2-CZ 4.44Å; F248-E282 WeakPolarHBondContact CE2-O 3.18Å
249	V	98.6	Very high	97.9	Very high	52 Å²	52	48.1 Å²	48.1	32%	0.315	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	116.9	162.3	-170.6	0	0	0	0	107.8	T235 I236 R237 V251	T235-V249 HydrophobicContact CG2-CG1 4.03Å; I236-V249 CarbonylContact O-C 3.6Å; I236-V249 WeakPolarHBondContact O-CA 3.46Å; R237-V249 HydrophobicContact CG-CG1 4.25Å; R237-V249 HydrophobicContact CG-CG2 4.3Å; V249-V251 HydrophobicContact CB-CG2 4.45Å; V249-V251 HydrophobicContact CG1-CG2 3.83Å; V249-V251 PolarHBondContact O-N 3.32Å
250	F	98.6	Very high	97.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	102.7	178.4	-56.6	-102.4	0	0	0	108.5	L228 I236 F248 W279 G284	L228-F250 HydrophobicContact CD2-CE2 3.7Å; L228-F250 HydrophobicContact CD2-CZ 4.07Å; I236-F250 HydrophobicContact CB-CB 3.92Å; I236-F250 HydrophobicContact CB-CD2 3.87Å; I236-F250 HydrophobicContact CB-CG 4.14Å; I236-F250 HydrophobicContact CD1-CB 4.13Å; I236-F250 HydrophobicContact CG2-CD2 4.01Å; I236-F250 HydrophobicContact CG2-CE2 4.5Å; I236-F250 PolarHBondContact N-O 3.33Å; I236-F250 WeakPolarHBondContact O-CD2 3.38Å; I236-F250 PolarHBondContact O-N 3.36Å; F248-F250 HydrophobicContact CB-CD2 4.45Å; F248-F250 HydrophobicContact CB-CE2 3.97Å; F248-F250 HydrophobicContact CB-CZ 4.23Å; F248-F250 HydrophobicContact CD2-CZ 4.44Å; F250-W279 HydrophobicContact CB-CD2 4.22Å; F250-W279 HydrophobicContact CB-CE3 3.88Å; F250-W279 HydrophobicContact CB-CZ3 4.06Å; F250-W279 HydrophobicContact CD1-CB 3.73Å; F250-W279 HydrophobicContact CD1-CD2 4.06Å; F250-W279 AromaticContact CD1-CE3 3.9Å; F250-W279 HydrophobicContact CD1-CE3 3.9Å; F250-W279 AromaticContact CD1-CG 4Å; F250-W279 HydrophobicContact CD1-CG 4Å; F250-W279 HydrophobicContact CE1-CB 3.93Å; F250-W279 HydrophobicContact CG-CE3 4.4Å; F250-G284 VanDerWaalsContact CE1-CA 3.5Å
251	V	98.3	Very high	97.8	Very high	99 Å²	99	45.6 Å²	45.6	60%	0.6	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.4	-178.5	-177.7	0	0	0	0	109.7	T235 V249	T235-V251 HydrophobicContact CG2-CG2 4.48Å; V249-V251 HydrophobicContact CB-CG2 4.45Å; V249-V251 HydrophobicContact CG1-CG2 3.83Å; V249-V251 PolarHBondContact O-N 3.32Å
252	G	98.1	Very high	97.9	Very high	11 Å²	11	46.9 Å²	46.9	11%	0.113	26%	0.257	C	S	.	.			trans	174.9	-39.6	173.2	0	0	0	0	0	112.7	R277	G252-R277 PolarHBondContact O-NH2 2.96Å; G252-R277 VanDerWaalsContact O-NH2 3.1Å
253	H	98.6	Very high	98	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.028	24%	0.24	C	C	.	.			trans	-58.5	144.2	171.8	-79.4	-73.8	0	0	0	112.2	N234 I257 T269 S271 D273 R277 W279	N234-H253 HydrophobicContact CB-CB 4.45Å; N234-H253 WeakPolarHBondContact CB-O 3.44Å; H253-I257 HydrophobicContact CB-CD1 4.37Å; H253-I257 HydrophobicContact CB-CG1 4.03Å; H253-T269 PolarHBondContact NE2-OG1 2.93Å; H253-S271 WeakPolarHBondContact CE1-CB 3.36Å; H253-S271 WeakPolarHBondContact ND1-CB 3.32Å; H253-S271 PolarHBondContact ND1-OG 3.23Å; H253-D273 VanDerWaalsContact CA-OD2 3.22Å; H253-D273 WeakPolarHBondContact CA-OD2 3.43Å; H253-D273 IonicContact CE1-OD1 3.3Å; H253-D273 IonicContact CG-OD2 3.21Å; H253-D273 IonicContact ND1-OD1 3.93Å; H253-D273 PolarHBondContact ND1-OD1 3.37Å; H253-D273 IonicContact ND1-OD2 3.76Å; H253-D273 PolarHBondContact ND1-OD2 2.61Å; H253-R277 VanDerWaalsContact CA-NH1 3.26Å; H253-R277 PolarHBondContact CE1-NH1 3Å; H253-R277 PolarHBondContact ND1-NH1 3.22Å; H253-W279 AromaticContact CD2-CZ2 3.71Å
254	K	98.4	Very high	97.8	Very high	162 Å²	162	45.7 Å²	45.7	70%	0.704	25%	0.249	S	C	*	.	S	Bend	trans	-113.5	9.6	-179.6	-56.7	-59.8	177.1	-174.1	0	112.9	D273	K254-D273 HydrophobicContact CB-CB 4.13Å; K254-D273 PolarHBondContact N-OD2 2.96Å
255	G	98.5	Very high	97.6	Very high	12 Å²	12	50.1 Å²	50.1	12%	0.124	26%	0.263	C	S	.	.	S	Bend	trans	-158.9	168.7	179.9	0	0	0	0	0	109.9	N234 I257 S271	N234-G255 WeakPolarHBondContact OD1-CA 3.48Å; N234-G255 PolarHBondContact OD1-N 3.07Å; N234-G255 PolarHBondContact OD1-O 3.28Å; G255-I257 PolarHBondContact O-N 2.85Å; G255-S271 VanDerWaalsContact C-OG 3.31Å; G255-S271 PolarHBondContact O-OG 3.37Å
256	T	98.8	Very high	97.6	Very high	28 Å²	28	47.8 Å²	47.8	17%	0.172	25%	0.247	C	C	.	.			trans	-47.3	132.2	-176.5	-61.1	0	0	0	0	111.7	T216 I232 N234 V258 S271 I272	T216-T256 HydrophobicContact CG2-CG2 4.07Å; I232-T256 HydrophobicContact CB-CG2 4.31Å; I232-T256 HydrophobicContact CG1-CG2 3.78Å; N234-T256 PolarHBondContact OD1-N 2.87Å; N234-T256 VanDerWaalsContact OD1-N 3.1Å; T256-V258 HydrophobicContact CG2-CG1 3.86Å; T256-S271 CarbonylContact O-C 3.49Å; T256-S271 WeakPolarHBondContact O-CA 3.27Å; T256-S271 WeakPolarHBondContact O-CB 3.42Å; T256-S271 PolarHBondContact O-OG 3.16Å; T256-I272 HydrophobicContact CG2-CD1 4.21Å; T256-I272 PolarHBondContact O-N 2.73Å
257	I	98.8	Very high	97.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	122	171.7	-60.7	146.6	0	0	0	107.6	T216 A230 S231 N234 T235 I236 H253 G255 T269	T216-I257 VanDerWaalsContact CB-O 3.32Å; T216-I257 WeakPolarHBondContact CB-O 2.92Å; T216-I257 PolarHBondContact OG1-O 2.85Å; A230-I257 HydrophobicContact CB-CB 4.05Å; A230-I257 HydrophobicContact CB-CG2 3.64Å; S231-I257 PolarHBondContact O-N 2.95Å; N234-I257 VanDerWaalsContact C-CD1 3.44Å; T235-I257 VanDerWaalsContact O-CD1 3.25Å; T235-I257 WeakPolarHBondContact O-CD1 3.13Å; I236-I257 HydrophobicContact CD1-CD1 3.53Å; I236-I257 HydrophobicContact CD1-CG1 4.37Å; I236-I257 HydrophobicContact CG1-CD1 3.84Å; H253-I257 HydrophobicContact CB-CD1 4.37Å; H253-I257 HydrophobicContact CB-CG1 4.03Å; G255-I257 PolarHBondContact O-N 2.85Å; I257-T269 HydrophobicContact CG2-CG2 4.26Å
258	V	98	Very high	97.6	Very high	52 Å²	52	42.2 Å²	42.2	32%	0.315	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	-24	-172.8	-63.7	0	0	0	0	113	T256 G270 I272 V297	T256-V258 HydrophobicContact CG2-CG1 3.86Å; V258-G270 PolarHBondContact N-O 3.15Å; V258-I272 HydrophobicContact CG1-CD1 4.15Å; V258-I272 HydrophobicContact CG1-CG1 3.83Å; V258-V297 WeakPolarHBondContact CG2-O 3.28Å
259	S	98	Very high	97.6	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.1	179	-179.6	0	0	0	0	110.8	T269 G270 N298 V300	S259-T269 VanDerWaalsContact O-CA 3.27Å; S259-T269 WeakPolarHBondContact O-CA 3.39Å; S259-G270 PolarHBondContact N-O 3.4Å; S259-G270 PolarHBondContact O-N 3.41Å; S259-N298 WeakPolarHBondContact CB-O 3.33Å; S259-V300 PolarHBondContact OG-N 2.88Å; S259-V300 VanDerWaalsContact OG-N 3.07Å
260	M	97.9	Very high	97.6	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.034	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.2	174.9	-163	155	66.5	0	0	109.2	A217 I218 E219 L228 A230 I236 L267 Y268 T269 R301	A217-M260 HydrophobicContact CB-CB 4.02Å; A217-M260 HydrophobicContact CB-CE 4.19Å; I218-M260 VanDerWaalsContact C-CE 3.43Å; I218-M260 VanDerWaalsContact CA-CE 3.48Å; E219-M260 HydrophobicContact CB-CE 3.93Å; E219-M260 HydrophobicContact CG-CE 3.87Å; L228-M260 HydrophobicContact CB-CE 4.19Å; L228-M260 HydrophobicContact CB-SD 4.29Å; A230-M260 HydrophobicContact CB-SD 3.99Å; I236-M260 HydrophobicContact CG2-SD 4.24Å; M260-L267 HydrophobicContact CG-CD1 3.36Å; M260-L267 HydrophobicContact SD-CD1 3.82Å; M260-Y268 CarbonylContact C-O 3.39Å; M260-Y268 WeakPolarHBondContact CA-O 3.39Å; M260-T269 HydrophobicContact CG-CG2 4.37Å; M260-R301 PolarHBondContact O-NH1 3.19Å
261	H	98	Very high	97.6	Very high	36 Å²	36	36.9 Å²	36.9	17%	0.167	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	131.8	173.6	-176.5	-116.4	0	0	0	110.2	E219 Y268 R301 N302	E219-H261 VanDerWaalsContact OE1-CA 3.26Å; E219-H261 WeakPolarHBondContact OE1-CA 3.45Å; E219-H261 PolarHBondContact OE1-N 3.41Å; H261-Y268 PolarHBondContact N-O 3.35Å; H261-Y268 PolarHBondContact O-N 2.92Å; H261-R301 WeakPolarHBondContact CD2-CD 3.25Å; H261-R301 WeakPolarHBondContact NE2-CD 3.4Å; H261-N302 PolarHBondContact ND1-N 2.65Å
262	I	97.8	Very high	97.6	Very high	32 Å²	32	36.2 Å²	36.2	16%	0.164	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.5	169.6	-62.1	165.6	0	0	0	109.8	E219 F221 L228 M266 L267 I281	E219-I262 HydrophobicContact CB-CD1 3.63Å; E219-I262 HydrophobicContact CB-CG1 4.37Å; E219-I262 WeakPolarHBondContact OE2-CB 3.3Å; E219-I262 WeakPolarHBondContact OE2-CD1 3.34Å; E219-I262 WeakPolarHBondContact OE2-CG1 3.24Å; E219-I262 PolarHBondContact OE2-N 2.92Å; F221-I262 HydrophobicContact CB-CD1 4.18Å; F221-I262 HydrophobicContact CD2-CG2 4.06Å; L228-I262 HydrophobicContact CD1-CD1 3.56Å; L228-I262 HydrophobicContact CD1-CG1 4.09Å; I262-M266 WeakPolarHBondContact CA-O 3.44Å; I262-L267 HydrophobicContact CG1-CD1 3.94Å; I262-I281 HydrophobicContact CB-CD1 4.43Å; I262-I281 HydrophobicContact CD1-CD1 4.18Å; I262-I281 HydrophobicContact CG1-CD1 3.9Å; I262-I281 HydrophobicContact CG2-CD1 3.75Å
263	N	96.2	Very high	97.7	Very high	45 Å²	45	37 Å²	37	24%	0.241	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	137.1	164.7	-167.6	16.3	0	0	0	109.9	K265 M266 Y268 N302	N263-K265 VanDerWaalsContact C-N 3.32Å; N263-K265 PolarHBondContact O-N 2.95Å; N263-K265 VanDerWaalsContact O-N 3.15Å; N263-M266 PolarHBondContact N-O 3.24Å; N263-M266 WeakPolarHBondContact O-CA 2.92Å; N263-M266 WeakPolarHBondContact O-CB 3.2Å; N263-M266 PolarHBondContact O-N 3.42Å; N263-Y268 HydrophobicContact CB-CE2 4Å; N263-N302 HydrophobicContact CB-CB 4.28Å; N263-N302 PolarHBondContact ND2-OD1 3.42Å
264	N	90.4	Very high	97.7	Very high	134 Å²	134	40.7 Å²	40.7	72%	0.717	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.5	48.8	173.7	-66.1	-26.2	0	0	0	114.8	M266	N264-M266 PolarHBondContact O-N 3.36Å; N264-M266 VanDerWaalsContact O-N 3.16Å
265	K	93.3	Very high	97.7	Very high	111 Å²	111	33.8 Å²	33.8	48%	0.483	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	1.5	-177.6	-45	178.2	165.7	-156.8	0	116.3	F221 N263 I281 E282	F221-K265 HydrophobicContact CE2-CB 4.15Å; F221-K265 HydrophobicContact CE2-CG 4.18Å; F221-K265 HydrophobicContact CZ-CB 3.84Å; F221-K265 HydrophobicContact CZ-CG 3.91Å; N263-K265 VanDerWaalsContact C-N 3.32Å; N263-K265 PolarHBondContact O-N 2.95Å; N263-K265 VanDerWaalsContact O-N 3.15Å; K265-I281 WeakPolarHBondContact O-CG1 3.3Å; K265-I281 PolarHBondContact O-N 3.16Å; K265-E282 WeakPolarHBondContact CD-OE1 3.41Å; K265-E282 IonicContact NZ-OE1 3.56Å; K265-E282 PolarHBondContact NZ-OE1 3.27Å; K265-E282 IonicContact NZ-OE2 2.97Å
266	M	97.6	Very high	97.7	Very high	34 Å²	34	33.2 Å²	33.2	17%	0.167	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	142.8	174.9	-66.3	-66	-68	0	0	110.1	I262 N263 N264 Y268 W279 I287	I262-M266 WeakPolarHBondContact CA-O 3.44Å; N263-M266 PolarHBondContact N-O 3.24Å; N263-M266 WeakPolarHBondContact O-CA 2.92Å; N263-M266 WeakPolarHBondContact O-CB 3.2Å; N263-M266 PolarHBondContact O-N 3.42Å; N264-M266 PolarHBondContact O-N 3.36Å; N264-M266 VanDerWaalsContact O-N 3.16Å; M266-Y268 HydrophobicContact CB-CE2 3.72Å; M266-Y268 WeakPolarHBondContact CB-OH 3.07Å; M266-W279 WeakPolarHBondContact CA-O 3.31Å; M266-I287 HydrophobicContact CE-CB 3.8Å; M266-I287 HydrophobicContact CE-CG1 3.57Å; M266-I287 HydrophobicContact CE-CG2 4.02Å; M266-I287 HydrophobicContact SD-CG1 4.35Å
267	L	98.6	Very high	97.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.3	172.2	175.1	66.7	0	0	0	108.7	L228 I236 M260 I262 T269 S278 W279 I281	L228-L267 HydrophobicContact CD1-CD1 4.22Å; L228-L267 HydrophobicContact CD1-CD2 4.45Å; L228-L267 HydrophobicContact CD2-CD2 4.31Å; I236-L267 HydrophobicContact CB-CD2 4.41Å; I236-L267 HydrophobicContact CG1-CD2 4.31Å; I236-L267 HydrophobicContact CG2-CD2 3.94Å; M260-L267 HydrophobicContact CG-CD1 3.36Å; M260-L267 HydrophobicContact SD-CD1 3.82Å; I262-L267 HydrophobicContact CG1-CD1 3.94Å; L267-T269 HydrophobicContact CD1-CG2 4.32Å; L267-T269 HydrophobicContact CD2-CG2 4.13Å; L267-T269 HydrophobicContact CG-CG2 3.97Å; L267-S278 CarbonylContact O-C 3.55Å; L267-S278 WeakPolarHBondContact O-CA 3Å; L267-W279 HydrophobicContact CB-CB 4.18Å; L267-W279 HydrophobicContact CD2-CB 4.46Å; L267-W279 HydrophobicContact CD2-CG 4.29Å; L267-W279 PolarHBondContact N-O 3.11Å; L267-W279 PolarHBondContact O-N 2.98Å; L267-I281 HydrophobicContact CB-CD1 4.09Å; L267-I281 HydrophobicContact CB-CG1 3.72Å
268	Y	98.7	Very high	97.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.2	173.1	-50.8	-95.9	0	0	0	109.4	M260 H261 N263 M266 R277 N302 V307 E321	M260-Y268 CarbonylContact C-O 3.39Å; M260-Y268 WeakPolarHBondContact CA-O 3.39Å; H261-Y268 PolarHBondContact N-O 3.35Å; H261-Y268 PolarHBondContact O-N 2.92Å; N263-Y268 HydrophobicContact CB-CE2 4Å; M266-Y268 HydrophobicContact CB-CE2 3.72Å; M266-Y268 WeakPolarHBondContact CB-OH 3.07Å; Y268-R277 CarbonylContact C-O 3.55Å; Y268-R277 VanDerWaalsContact CA-O 3.3Å; Y268-R277 WeakPolarHBondContact CA-O 3.43Å; Y268-N302 HydrophobicContact CD1-CB 4.14Å; Y268-N302 HydrophobicContact CD2-CB 3.72Å; Y268-N302 HydrophobicContact CE1-CB 3.82Å; Y268-N302 HydrophobicContact CE2-CB 3.38Å; Y268-N302 HydrophobicContact CG-CB 4.1Å; Y268-N302 VanDerWaalsContact CZ-CB 3.42Å; Y268-N302 VanDerWaalsContact CZ-CG 3.49Å; Y268-V307 HydrophobicContact CD1-CG1 4.27Å; Y268-V307 HydrophobicContact CD1-CG2 3.63Å; Y268-V307 HydrophobicContact CE1-CG2 3.51Å; Y268-E321 HydrophobicContact CE1-CG 4.42Å; Y268-E321 VanDerWaalsContact OH-CD 3.3Å; Y268-E321 PolarHBondContact OH-OE1 3.25Å
269	T	98.8	Very high	97.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.5	-175.8	54.5	0	0	0	0	111.8	I236 H253 I257 S259 M260 L267 A276 R277 W279	I236-T269 HydrophobicContact CD1-CG2 3.82Å; I236-T269 HydrophobicContact CG1-CG2 4.01Å; H253-T269 PolarHBondContact NE2-OG1 2.93Å; I257-T269 HydrophobicContact CG2-CG2 4.26Å; S259-T269 VanDerWaalsContact O-CA 3.27Å; S259-T269 WeakPolarHBondContact O-CA 3.39Å; M260-T269 HydrophobicContact CG-CG2 4.37Å; L267-T269 HydrophobicContact CD1-CG2 4.32Å; L267-T269 HydrophobicContact CD2-CG2 4.13Å; L267-T269 HydrophobicContact CG-CG2 3.97Å; T269-A276 CarbonylContact O-C 3.57Å; T269-A276 WeakPolarHBondContact O-CA 3.48Å; T269-A276 WeakPolarHBondContact O-CB 3.38Å; T269-R277 PolarHBondContact N-O 3.45Å; T269-R277 PolarHBondContact O-N 3.29Å; T269-W279 PolarHBondContact OG1-NE1 2.87Å
270	G	98.7	Very high	97.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	145.1	174	0	0	0	0	0	110.5	V258 S259 V297	V258-G270 PolarHBondContact N-O 3.15Å; S259-G270 PolarHBondContact N-O 3.4Å; S259-G270 PolarHBondContact O-N 3.41Å; G270-V297 CarbonylContact C-O 3.53Å
271	S	98.8	Very high	97.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	161.1	-170.7	171.5	0	0	0	0	114.2	H253 G255 T256 D273 H274 T275 S296 V297	H253-S271 WeakPolarHBondContact CE1-CB 3.36Å; H253-S271 WeakPolarHBondContact ND1-CB 3.32Å; H253-S271 PolarHBondContact ND1-OG 3.23Å; G255-S271 VanDerWaalsContact C-OG 3.31Å; G255-S271 PolarHBondContact O-OG 3.37Å; T256-S271 CarbonylContact O-C 3.49Å; T256-S271 WeakPolarHBondContact O-CA 3.27Å; T256-S271 WeakPolarHBondContact O-CB 3.42Å; T256-S271 PolarHBondContact O-OG 3.16Å; S271-D273 VanDerWaalsContact CB-OD1 3.22Å; S271-D273 WeakPolarHBondContact CB-OD1 3.44Å; S271-D273 PolarHBondContact O-N 2.83Å; S271-D273 VanDerWaalsContact OG-CG 3.28Å; S271-D273 PolarHBondContact OG-N 2.57Å; S271-D273 PolarHBondContact OG-OD1 3.21Å; S271-H274 PolarHBondContact O-N 2.92Å; S271-T275 PolarHBondContact N-O 3.43Å; S271-S296 PolarHBondContact O-OG 2.92Å; S271-V297 PolarHBondContact N-O 3.5Å; S271-V297 PolarHBondContact O-N 2.89Å
272	I	98.6	Very high	97.6	Very high	84 Å²	84	32.9 Å²	32.9	43%	0.431	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.2	168.6	-55.6	-175.7	0	0	0	111.7	T256 V258 H274 S296	T256-I272 HydrophobicContact CG2-CD1 4.21Å; T256-I272 PolarHBondContact O-N 2.73Å; V258-I272 HydrophobicContact CG1-CD1 4.15Å; V258-I272 HydrophobicContact CG1-CG1 3.83Å; I272-H274 PolarHBondContact O-CD2 3Å; I272-H274 PolarHBondContact O-N 2.92Å; I272-H274 VanDerWaalsContact O-N 3.12Å; I272-H274 PolarHBondContact O-NE2 3.44Å; I272-S296 WeakPolarHBondContact CA-OG 3.36Å
273	D	98.5	Very high	97.5	Very high	29 Å²	29	34.6 Å²	34.6	16%	0.155	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	11.4	173.8	76.4	-2.8	0	0	0	115.2	H253 K254 S271 T275 R277	H253-D273 VanDerWaalsContact CA-OD2 3.22Å; H253-D273 WeakPolarHBondContact CA-OD2 3.43Å; H253-D273 IonicContact CE1-OD1 3.3Å; H253-D273 IonicContact CG-OD2 3.21Å; H253-D273 IonicContact ND1-OD1 3.93Å; H253-D273 PolarHBondContact ND1-OD1 3.37Å; H253-D273 IonicContact ND1-OD2 3.76Å; H253-D273 PolarHBondContact ND1-OD2 2.61Å; K254-D273 HydrophobicContact CB-CB 4.13Å; K254-D273 PolarHBondContact N-OD2 2.96Å; S271-D273 VanDerWaalsContact CB-OD1 3.22Å; S271-D273 WeakPolarHBondContact CB-OD1 3.44Å; S271-D273 PolarHBondContact O-N 2.83Å; S271-D273 VanDerWaalsContact OG-CG 3.28Å; S271-D273 PolarHBondContact OG-N 2.57Å; S271-D273 PolarHBondContact OG-OD1 3.21Å; D273-T275 VanDerWaalsContact C-N 3.28Å; D273-T275 VanDerWaalsContact CG-OG1 3.31Å; D273-T275 PolarHBondContact O-N 2.81Å; D273-T275 PolarHBondContact OD1-N 2.93Å; D273-T275 VanDerWaalsContact OD1-N 3.08Å; D273-T275 PolarHBondContact OD1-OG1 2.8Å; D273-T275 PolarHBondContact OD2-OG1 2.89Å; D273-R277 IonicContact OD1-NH1 3.41Å; D273-R277 IonicContact OD2-CZ 2.76Å; D273-R277 IonicContact OD2-NH1 2.62Å; D273-R277 PolarHBondContact OD2-NH1 2.77Å; D273-R277 IonicContact OD2-NH2 3.44Å
274	H	98.5	Very high	97.5	Very high	82 Å²	82	33.2 Å²	33.2	38%	0.38	17%	0.172	S	C	.	.	S	Bend	trans	64.3	30.6	178.1	-43.3	163.5	0	0	0	113.4	S271 I272 H293 T294 R295 S296	S271-H274 PolarHBondContact O-N 2.92Å; I272-H274 PolarHBondContact O-CD2 3Å; I272-H274 PolarHBondContact O-N 2.92Å; I272-H274 VanDerWaalsContact O-N 3.12Å; I272-H274 PolarHBondContact O-NE2 3.44Å; H274-H293 HydrophobicContact CB-CB 4.34Å; H274-H293 WeakPolarHBondContact O-CB 3.32Å; H274-T294 PolarHBondContact CE1-O 3.06Å; H274-R295 WeakPolarHBondContact CA-O 3.4Å; H274-R295 VanDerWaalsContact CD2-CA 3.47Å; H274-R295 WeakPolarHBondContact CD2-CA 3.34Å; H274-R295 PolarHBondContact CD2-O 3.05Å; H274-S296 PolarHBondContact CD2-N 3.31Å
275	T	98.7	Very high	97.9	Very high	18 Å²	18	33.6 Å²	33.6	11%	0.11	17%	0.168	C	C	.	.			trans	-136	153.5	173.8	69.3	0	0	0	0	111.4	S271 D273 R277 V289	S271-T275 PolarHBondContact N-O 3.43Å; D273-T275 VanDerWaalsContact C-N 3.28Å; D273-T275 VanDerWaalsContact CG-OG1 3.31Å; D273-T275 PolarHBondContact O-N 2.81Å; D273-T275 PolarHBondContact OD1-N 2.93Å; D273-T275 VanDerWaalsContact OD1-N 3.08Å; D273-T275 PolarHBondContact OD1-OG1 2.8Å; D273-T275 PolarHBondContact OD2-OG1 2.89Å; T275-R277 PolarHBondContact OG1-NH1 2.97Å; T275-V289 HydrophobicContact CG2-CG1 3.99Å
276	A	98.8	Very high	98.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	153.8	154.4	0	0	0	0	0	109.8	T269 F290 V297 V300 T309	T269-A276 CarbonylContact O-C 3.57Å; T269-A276 WeakPolarHBondContact O-CA 3.48Å; T269-A276 WeakPolarHBondContact O-CB 3.38Å; A276-F290 HydrophobicContact CB-CB 4.14Å; A276-F290 HydrophobicContact CB-CD2 4.16Å; A276-F290 PolarHBondContact N-O 2.88Å; A276-F290 PolarHBondContact O-N 2.87Å; A276-V297 HydrophobicContact CB-CG1 4.31Å; A276-V300 HydrophobicContact CB-CG2 4.27Å; A276-T309 HydrophobicContact CB-CG2 3.71Å
277	R	98.8	Very high	98.1	Very high	22 Å²	22	34.1 Å²	34.1	8%	0.083	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.8	177.5	-68.7	-175.1	169.2	81.6	1.7	111	G252 H253 Y268 T269 D273 T275 W279 R288 V289	G252-R277 PolarHBondContact O-NH2 2.96Å; G252-R277 VanDerWaalsContact O-NH2 3.1Å; H253-R277 VanDerWaalsContact CA-NH1 3.26Å; H253-R277 PolarHBondContact CE1-NH1 3Å; H253-R277 PolarHBondContact ND1-NH1 3.22Å; Y268-R277 CarbonylContact C-O 3.55Å; Y268-R277 VanDerWaalsContact CA-O 3.3Å; Y268-R277 WeakPolarHBondContact CA-O 3.43Å; T269-R277 PolarHBondContact N-O 3.45Å; T269-R277 PolarHBondContact O-N 3.29Å; D273-R277 IonicContact OD1-NH1 3.41Å; D273-R277 IonicContact OD2-CZ 2.76Å; D273-R277 IonicContact OD2-NH1 2.62Å; D273-R277 PolarHBondContact OD2-NH1 2.77Å; D273-R277 IonicContact OD2-NH2 3.44Å; T275-R277 PolarHBondContact OG1-NH1 2.97Å; R277-W279 HydrophobicContact CB-CZ2 3.64Å; R277-W279 HydrophobicContact CG-CZ2 4.12Å; R277-R288 VanDerWaalsContact CA-O 3.29Å; R277-R288 WeakPolarHBondContact CA-O 3.47Å; R277-V289 HydrophobicContact CG-CG1 4.35Å; R277-V289 HydrophobicContact CG-CG2 4.2Å
278	S	98.5	Very high	98.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	148.4	167	64.2	0	0	0	0	111.5	L267 I287 R288	L267-S278 CarbonylContact O-C 3.55Å; L267-S278 WeakPolarHBondContact O-CA 3Å; S278-I287 PolarHBondContact O-N 2.83Å; S278-R288 PolarHBondContact N-O 3.25Å; S278-R288 PolarHBondContact O-N 2.89Å; S278-R288 PolarHBondContact OG-N 2.86Å
279	W	98.6	Very high	98.1	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.6	-175.5	-38	79.9	0	0	0	110.7	I236 F250 H253 M266 L267 T269 R277 K285 Q286	I236-W279 HydrophobicContact CD1-CZ2 4.17Å; F250-W279 HydrophobicContact CB-CD2 4.22Å; F250-W279 HydrophobicContact CB-CE3 3.88Å; F250-W279 HydrophobicContact CB-CZ3 4.06Å; F250-W279 HydrophobicContact CD1-CB 3.73Å; F250-W279 HydrophobicContact CD1-CD2 4.06Å; F250-W279 AromaticContact CD1-CE3 3.9Å; F250-W279 HydrophobicContact CD1-CE3 3.9Å; F250-W279 AromaticContact CD1-CG 4Å; F250-W279 HydrophobicContact CD1-CG 4Å; F250-W279 HydrophobicContact CE1-CB 3.93Å; F250-W279 HydrophobicContact CG-CE3 4.4Å; H253-W279 AromaticContact CD2-CZ2 3.71Å; M266-W279 WeakPolarHBondContact CA-O 3.31Å; L267-W279 HydrophobicContact CB-CB 4.18Å; L267-W279 HydrophobicContact CD2-CB 4.46Å; L267-W279 HydrophobicContact CD2-CG 4.29Å; L267-W279 PolarHBondContact N-O 3.11Å; L267-W279 PolarHBondContact O-N 2.98Å; T269-W279 PolarHBondContact OG1-NE1 2.87Å; R277-W279 HydrophobicContact CB-CZ2 3.64Å; R277-W279 HydrophobicContact CG-CZ2 4.12Å; W279-K285 VanDerWaalsContact CA-O 3.32Å; W279-K285 WeakPolarHBondContact CA-O 3.25Å; W279-Q286 HydrophobicContact CD2-CB 4.44Å; W279-Q286 HydrophobicContact CD2-CG 4.29Å; W279-Q286 VanDerWaalsContact CE3-CA 3.43Å; W279-Q286 HydrophobicContact CE3-CB 3.53Å; W279-Q286 HydrophobicContact CE3-CG 3.77Å; W279-Q286 HydrophobicContact CH2-CB 4.31Å; W279-Q286 HydrophobicContact CH2-CG 3.98Å; W279-Q286 HydrophobicContact CZ2-CG 4.48Å; W279-Q286 HydrophobicContact CZ3-CB 3.46Å; W279-Q286 VanDerWaalsContact CZ3-CB 3.46Å; W279-Q286 HydrophobicContact CZ3-CG 3.6Å
280	S	97.7	Very high	98.1	Very high	19 Å²	19	40.9 Å²	40.9	13%	0.133	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	114.5	167.9	166.1	0	0	0	0	108.8	E282 T283 G284 K285	S280-E282 VanDerWaalsContact C-N 3.26Å; S280-E282 PolarHBondContact O-N 3Å; S280-T283 WeakPolarHBondContact CB-OG1 3.22Å; S280-T283 PolarHBondContact O-N 3.2Å; S280-T283 PolarHBondContact OG-N 3.33Å; S280-T283 PolarHBondContact OG-OG1 3.25Å; S280-G284 PolarHBondContact O-N 2.83Å; S280-K285 PolarHBondContact N-O 3.42Å
281	I	97.7	Very high	97.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-35.8	-179.6	-58.1	169.4	0	0	0	110.6	F221 L228 I262 K265 L267 T283	F221-I281 HydrophobicContact CD1-CB 4.19Å; F221-I281 HydrophobicContact CD1-CD1 4.35Å; F221-I281 HydrophobicContact CD1-CG2 3.43Å; F221-I281 VanDerWaalsContact CD1-CG2 3.43Å; F221-I281 HydrophobicContact CD2-CD1 4.03Å; F221-I281 HydrophobicContact CE1-CB 4.04Å; F221-I281 HydrophobicContact CE1-CG2 3.71Å; F221-I281 HydrophobicContact CE2-CD1 4.27Å; F221-I281 HydrophobicContact CG-CD1 4.09Å; F221-I281 HydrophobicContact CG-CG2 4.09Å; L228-I281 HydrophobicContact CD1-CD1 3.84Å; L228-I281 HydrophobicContact CD1-CG1 4.04Å; L228-I281 HydrophobicContact CD1-CG2 4.03Å; I262-I281 HydrophobicContact CB-CD1 4.43Å; I262-I281 HydrophobicContact CD1-CD1 4.18Å; I262-I281 HydrophobicContact CG1-CD1 3.9Å; I262-I281 HydrophobicContact CG2-CD1 3.75Å; K265-I281 WeakPolarHBondContact O-CG1 3.3Å; K265-I281 PolarHBondContact O-N 3.16Å; L267-I281 HydrophobicContact CB-CD1 4.09Å; L267-I281 HydrophobicContact CB-CG1 3.72Å; I281-T283 VanDerWaalsContact C-N 3.34Å; I281-T283 PolarHBondContact O-N 2.73Å
282	E	96.2	Very high	97.8	Very high	78 Å²	78	50.6 Å²	50.6	36%	0.364	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-25.3	-178.1	-66.4	-178.5	160.5	0	0	113.6	F221 K222 F248 K265 S280	F221-E282 HydrophobicContact CE1-CG 4.41Å; K222-E282 IonicContact NZ-OE1 2.82Å; F248-E282 WeakPolarHBondContact CE2-O 3.18Å; K265-E282 WeakPolarHBondContact CD-OE1 3.41Å; K265-E282 IonicContact NZ-OE1 3.56Å; K265-E282 PolarHBondContact NZ-OE1 3.27Å; K265-E282 IonicContact NZ-OE2 2.97Å; S280-E282 VanDerWaalsContact C-N 3.26Å; S280-E282 PolarHBondContact O-N 3Å
283	T	96.7	Very high	97.8	Very high	67 Å²	67	47.2 Å²	47.2	41%	0.411	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-10.4	-176	66.7	0	0	0	0	114.4	S280 I281 K285	S280-T283 WeakPolarHBondContact CB-OG1 3.22Å; S280-T283 PolarHBondContact O-N 3.2Å; S280-T283 PolarHBondContact OG-N 3.33Å; S280-T283 PolarHBondContact OG-OG1 3.25Å; I281-T283 VanDerWaalsContact C-N 3.34Å; I281-T283 PolarHBondContact O-N 2.73Å; T283-K285 PolarHBondContact O-N 3.34Å; T283-K285 PolarHBondContact OG1-N 2.96Å
284	G	96.4	Very high	97.7	Very high	16 Å²	16	50.5 Å²	50.5	17%	0.165	26%	0.258	C	S	.	.			trans	73.4	1.3	-175.5	0	0	0	0	0	114.4	F250 S280	F250-G284 VanDerWaalsContact CE1-CA 3.5Å; S280-G284 PolarHBondContact O-N 2.83Å
285	K	97.5	Very high	97.7	Very high	143 Å²	143	52.9 Å²	52.9	62%	0.622	26%	0.263	S	S	*	.			trans	-87.1	140.2	-172.7	-65.6	-177.7	179.8	179.8	0	112.1	W279 S280 T283	W279-K285 VanDerWaalsContact CA-O 3.32Å; W279-K285 WeakPolarHBondContact CA-O 3.25Å; S280-K285 PolarHBondContact N-O 3.42Å; T283-K285 PolarHBondContact O-N 3.34Å; T283-K285 PolarHBondContact OG1-N 2.96Å
286	Q	98.3	Very high	97.7	Very high	80 Å²	80	52.7 Å²	52.7	37%	0.374	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	132.1	164.9	-163.2	-171.4	-92.8	0	0	109.3	W279	W279-Q286 HydrophobicContact CD2-CB 4.44Å; W279-Q286 HydrophobicContact CD2-CG 4.29Å; W279-Q286 VanDerWaalsContact CE3-CA 3.43Å; W279-Q286 HydrophobicContact CE3-CB 3.53Å; W279-Q286 HydrophobicContact CE3-CG 3.77Å; W279-Q286 HydrophobicContact CH2-CB 4.31Å; W279-Q286 HydrophobicContact CH2-CG 3.98Å; W279-Q286 HydrophobicContact CZ2-CG 4.48Å; W279-Q286 HydrophobicContact CZ3-CB 3.46Å; W279-Q286 VanDerWaalsContact CZ3-CB 3.46Å; W279-Q286 HydrophobicContact CZ3-CG 3.6Å
287	I	97.7	Very high	97.7	Very high	75 Å²	75	52.7 Å²	52.7	39%	0.385	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-49.2	179.8	-57.5	-58.8	0	0	0	110.2	M266 S278	M266-I287 HydrophobicContact CE-CB 3.8Å; M266-I287 HydrophobicContact CE-CG1 3.57Å; M266-I287 HydrophobicContact CE-CG2 4.02Å; M266-I287 HydrophobicContact SD-CG1 4.35Å; S278-I287 PolarHBondContact O-N 2.83Å
288	R	97.8	Very high	97.7	Very high	84 Å²	84	53.6 Å²	53.6	32%	0.317	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	161	178.3	-68.5	-176.8	-154.3	-66.9	-18.1	113.8	R277 S278 F290 E321 K322	R277-R288 VanDerWaalsContact CA-O 3.29Å; R277-R288 WeakPolarHBondContact CA-O 3.47Å; S278-R288 PolarHBondContact N-O 3.25Å; S278-R288 PolarHBondContact O-N 2.89Å; S278-R288 PolarHBondContact OG-N 2.86Å; R288-F290 HydrophobicContact CB-CE2 4.21Å; R288-F290 HydrophobicContact CB-CZ 4.03Å; R288-E321 WeakPolarHBondContact CD-O 3.46Å; R288-E321 PolarHBondContact NE-O 2.9Å; R288-K322 PolarHBondContact NE-O 3.11Å; R288-K322 PolarHBondContact NH1-O 2.93Å; R288-K322 PolarHBondContact NH2-O 3.06Å
289	V	98.4	Very high	97.7	Very high	58 Å²	58	54.9 Å²	54.9	35%	0.352	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.9	167.6	-173.8	0	0	0	0	108.2	T275 R277	T275-V289 HydrophobicContact CG2-CG1 3.99Å; R277-V289 HydrophobicContact CG-CG1 4.35Å; R277-V289 HydrophobicContact CG-CG2 4.2Å
290	F	98.4	Very high	97.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	106.9	172.5	-52	-81.9	0	0	0	107.7	A276 R288 V307 F319	A276-F290 HydrophobicContact CB-CB 4.14Å; A276-F290 HydrophobicContact CB-CD2 4.16Å; A276-F290 PolarHBondContact N-O 2.88Å; A276-F290 PolarHBondContact O-N 2.87Å; R288-F290 HydrophobicContact CB-CE2 4.21Å; R288-F290 HydrophobicContact CB-CZ 4.03Å; F290-V307 HydrophobicContact CD1-CB 4.4Å; F290-V307 HydrophobicContact CD2-CG1 4.02Å; F290-V307 HydrophobicContact CE1-CB 4.02Å; F290-V307 HydrophobicContact CE1-CG2 3.96Å; F290-V307 HydrophobicContact CE2-CB 4.18Å; F290-V307 HydrophobicContact CE2-CG1 3.96Å; F290-V307 HydrophobicContact CE2-CG2 3.89Å; F290-V307 HydrophobicContact CG-CG1 4.37Å; F290-V307 HydrophobicContact CZ-CB 3.92Å; F290-V307 HydrophobicContact CZ-CG1 4.23Å; F290-V307 HydrophobicContact CZ-CG2 3.47Å; F290-V307 VanDerWaalsContact CZ-CG2 3.47Å; F290-F319 HydrophobicContact CB-CD1 4.23Å; F290-F319 HydrophobicContact CB-CD2 4.07Å; F290-F319 HydrophobicContact CB-CE1 4.28Å; F290-F319 HydrophobicContact CB-CE2 4.13Å; F290-F319 HydrophobicContact CB-CG 4.13Å; F290-F319 HydrophobicContact CB-CZ 4.23Å; F290-F319 HydrophobicContact CD1-CB 3.48Å; F290-F319 VanDerWaalsContact CD1-CB 3.48Å; F290-F319 HydrophobicContact CD1-CD1 4.06Å; F290-F319 HydrophobicContact CD1-CD2 4.24Å; F290-F319 AromaticContact CD1-CG 3.69Å; F290-F319 HydrophobicContact CD1-CG 3.69Å; F290-F319 HydrophobicContact CE1-CB 3.9Å; F290-F319 HydrophobicContact CG-CB 4.42Å; F290-F319 HydrophobicContact CG-CD2 4.42Å; F290-F319 HydrophobicContact CG-CG 4.27Å
291	S	95.5	Very high	97.7	Very high	59 Å²	59	56.8 Å²	56.8	41%	0.413	28%	0.279	S	S	.	.			trans	-105.4	-169.7	-177.6	62.9	0	0	0	0	110.6	F319	S291-F319 WeakPolarHBondContact O-CE1 3.4Å; S291-F319 WeakPolarHBondContact O-CZ 3.5Å
292	K	97.1	Very high	97.7	Very high	145 Å²	145	57.2 Å²	57.2	63%	0.63	28%	0.281	S	S	*	.			trans	89.5	-0.7	-175.1	-47	-62.8	-177.1	176.9	0	115.8	R317 L326	K292-R317 VanDerWaalsContact O-CZ 3.31Å; K292-R317 PolarHBondContact O-NE 3.05Å; K292-R317 PolarHBondContact O-NH2 2.74Å; K292-L326 HydrophobicContact CG-CD2 4.45Å
293	H	97.9	Very high	97.6	Very high	14 Å²	14	56.5 Å²	56.5	7%	0.065	28%	0.277	C	S	.	.			trans	-77.7	143.6	168.8	-47.2	83.7	0	0	0	110.3	H274 V297 T309 F319	H274-H293 HydrophobicContact CB-CB 4.34Å; H274-H293 WeakPolarHBondContact O-CB 3.32Å; H293-V297 HydrophobicContact CB-CG2 4.04Å; H293-T309 PolarHBondContact NE2-OG1 2.83Å; H293-F319 AromaticContact CE1-CE2 3.65Å; H293-F319 AromaticContact CE1-CZ 3.61Å; H293-F319 AromaticContact NE2-CE2 3.84Å
294	T	97.5	Very high	97.2	Very high	98 Å²	98	59.6 Å²	59.6	60%	0.601	29%	0.287	S	S	*	.	S	Bend	trans	-105.6	-8.6	177	58.8	0	0	0	0	112.9	H274 D313	H274-T294 PolarHBondContact CE1-O 3.06Å; T294-D313 PolarHBondContact N-OD2 3.04Å; T294-D313 VanDerWaalsContact N-OD2 3.13Å; T294-D313 WeakPolarHBondContact OG1-CB 3.22Å; T294-D313 PolarHBondContact OG1-OD2 2.78Å
295	R	98.2	Very high	97	Very high	131 Å²	131	60.5 Å²	60.5	49%	0.494	30%	0.297	S	S	.	.	S	Bend	trans	-139.9	-175.4	175.5	-59.7	-176.7	70.1	-164.1	9.9	110.1	H274 C311 S312 D313	H274-R295 WeakPolarHBondContact CA-O 3.4Å; H274-R295 VanDerWaalsContact CD2-CA 3.47Å; H274-R295 WeakPolarHBondContact CD2-CA 3.34Å; H274-R295 PolarHBondContact CD2-O 3.05Å; R295-C311 PolarHBondContact O-SG 2.84Å; R295-S312 WeakPolarHBondContact CD-O 2.97Å; R295-S312 PolarHBondContact NH1-O 3.38Å; R295-D313 HydrophobicContact CB-CB 4.17Å; R295-D313 HydrophobicContact CG-CB 4.07Å
296	S	98.4	Very high	96.8	Very high	15 Å²	15	53.8 Å²	53.8	11%	0.105	27%	0.268	C	S	.	.			trans	-55	139.4	-178.4	-174.9	0	0	0	0	112.9	S271 I272 H274 N298 C311 S312	S271-S296 PolarHBondContact O-OG 2.92Å; I272-S296 WeakPolarHBondContact CA-OG 3.36Å; H274-S296 PolarHBondContact CD2-N 3.31Å; S296-N298 PolarHBondContact O-N 3.49Å; S296-C311 VanDerWaalsContact O-CA 3.3Å; S296-C311 WeakPolarHBondContact O-CA 3.31Å; S296-C311 PolarHBondContact O-SG 2.92Å; S296-S312 PolarHBondContact O-N 3.26Å
297	V	98.7	Very high	96.8	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	99.5	168.6	-178.3	0	0	0	0	108.6	V258 G270 S271 A276 H293 T309 A310	V258-V297 WeakPolarHBondContact CG2-O 3.28Å; G270-V297 CarbonylContact C-O 3.53Å; S271-V297 PolarHBondContact N-O 3.5Å; S271-V297 PolarHBondContact O-N 2.89Å; A276-V297 HydrophobicContact CB-CG1 4.31Å; H293-V297 HydrophobicContact CB-CG2 4.04Å; V297-T309 HydrophobicContact CG1-CG2 4.02Å; V297-A310 CarbonylContact C-O 3.57Å
298	N	98.5	Very high	96.8	Very high	40 Å²	40	46.4 Å²	46.4	21%	0.214	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-31.8	-172.6	-60.5	-38.9	0	0	0	113.1	S259 S296 A310 S312 S337 C338 V339	S259-N298 WeakPolarHBondContact CB-O 3.33Å; S296-N298 PolarHBondContact O-N 3.49Å; N298-A310 PolarHBondContact N-O 3.47Å; N298-S312 PolarHBondContact ND2-N 2.8Å; N298-S312 PolarHBondContact ND2-OG 3.12Å; N298-S312 PolarHBondContact OD1-OG 3.39Å; N298-S312 VanDerWaalsContact OD1-OG 3.14Å; N298-S337 PolarHBondContact ND2-OG 2.9Å; N298-C338 PolarHBondContact ND2-O 3.47Å; N298-V339 VanDerWaalsContact CB-O 3.31Å; N298-V339 WeakPolarHBondContact CB-O 3.48Å
299	Y	98.5	Very high	96.9	Very high	29 Å²	29	42.4 Å²	42.4	11%	0.114	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	139.2	-176.9	-161.4	-120.8	0	0	0	110.7	R301 T309 A310 M340 F341	Y299-R301 HydrophobicContact CD1-CG 4.24Å; Y299-R301 HydrophobicContact CE1-CG 3.62Å; Y299-R301 PolarHBondContact OH-NE 2.84Å; Y299-R301 PolarHBondContact OH-NH2 3.31Å; Y299-T309 CarbonylContact O-C 3.57Å; Y299-T309 VanDerWaalsContact O-CA 3.27Å; Y299-T309 WeakPolarHBondContact O-CA 3.4Å; Y299-A310 PolarHBondContact N-O 3.44Å; Y299-A310 PolarHBondContact O-N 2.58Å; Y299-M340 HydrophobicContact CD1-CB 3.85Å; Y299-M340 HydrophobicContact CD2-CB 4.14Å; Y299-M340 HydrophobicContact CE1-CB 4.28Å; Y299-M340 HydrophobicContact CE1-CE 4.03Å; Y299-M340 HydrophobicContact CE2-CE 4.34Å; Y299-M340 HydrophobicContact CG-CB 3.75Å; Y299-F341 AromaticContact CD1-CD1 3.95Å; Y299-F341 HydrophobicContact CD1-CD1 3.95Å; Y299-F341 AromaticContact CD1-CE1 3.79Å; Y299-F341 HydrophobicContact CD1-CE1 3.79Å; Y299-F341 HydrophobicContact CD1-CG 4.4Å; Y299-F341 HydrophobicContact CD1-CZ 4.13Å; Y299-F341 WeakPolarHBondContact CE1-O 3.25Å
300	V	98.6	Very high	96.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138.1	174.7	62.3	0	0	0	0	110.4	S259 A276 V307 I308 T309	S259-V300 PolarHBondContact OG-N 2.88Å; S259-V300 VanDerWaalsContact OG-N 3.07Å; A276-V300 HydrophobicContact CB-CG2 4.27Å; V300-V307 HydrophobicContact CG2-CG1 3.74Å; V300-I308 WeakPolarHBondContact CA-O 3.27Å; V300-T309 HydrophobicContact CB-CG2 4.41Å; V300-T309 HydrophobicContact CG2-CG2 4.06Å
301	R	98	Very high	96.9	Very high	61 Å²	61	39.7 Å²	39.7	23%	0.23	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	152	168.7	-68	-65.3	-179.8	-107	20.5	109.9	M260 H261 Y299 I308 F341	M260-R301 PolarHBondContact O-NH1 3.19Å; H261-R301 WeakPolarHBondContact CD2-CD 3.25Å; H261-R301 WeakPolarHBondContact NE2-CD 3.4Å; Y299-R301 HydrophobicContact CD1-CG 4.24Å; Y299-R301 HydrophobicContact CE1-CG 3.62Å; Y299-R301 PolarHBondContact OH-NE 2.84Å; Y299-R301 PolarHBondContact OH-NH2 3.31Å; R301-I308 PolarHBondContact N-O 3.25Å; R301-I308 PolarHBondContact O-N 3.03Å; R301-F341 HydrophobicContact CB-CE2 3.98Å; R301-F341 HydrophobicContact CB-CZ 3.81Å; R301-F341 HydrophobicContact CG-CE2 4.13Å; R301-F341 HydrophobicContact CG-CZ 4.06Å
302	N	96.8	Very high	97	Very high	9 Å²	9	37.5 Å²	37.5	5%	0.048	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.9	164.8	171.3	-96.8	0	0	0	108.3	H261 N263 Y268 M306 E321	H261-N302 PolarHBondContact ND1-N 2.65Å; N263-N302 HydrophobicContact CB-CB 4.28Å; N263-N302 PolarHBondContact ND2-OD1 3.42Å; Y268-N302 HydrophobicContact CD1-CB 4.14Å; Y268-N302 HydrophobicContact CD2-CB 3.72Å; Y268-N302 HydrophobicContact CE1-CB 3.82Å; Y268-N302 HydrophobicContact CE2-CB 3.38Å; Y268-N302 HydrophobicContact CG-CB 4.1Å; Y268-N302 VanDerWaalsContact CZ-CB 3.42Å; Y268-N302 VanDerWaalsContact CZ-CG 3.49Å; N302-M306 CarbonylContact C-O 3.54Å; N302-M306 VanDerWaalsContact CA-O 3.22Å; N302-M306 WeakPolarHBondContact CA-O 3.37Å; N302-M306 PolarHBondContact ND2-O 3.41Å; N302-E321 VanDerWaalsContact ND2-CD 3.3Å; N302-E321 PolarHBondContact ND2-OE2 3.4Å
303	H	93.9	Very high	97	Very high	62 Å²	62	31.1 Å²	31.1	29%	0.287	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	124.5	-178.8	-175.7	72.2	0	0	0	108.7	G305 M306 I308 I343 Y362	H303-G305 PolarHBondContact O-N 3.26Å; H303-M306 PolarHBondContact N-O 3.24Å; H303-M306 WeakPolarHBondContact O-CB 3.45Å; H303-M306 PolarHBondContact O-N 3.45Å; H303-I308 HydrophobicContact CB-CD1 4.45Å; H303-I343 HydrophobicContact CB-CD1 4.28Å; H303-Y362 PolarHBondContact CD2-OH 3.25Å; H303-Y362 VanDerWaalsContact CD2-OH 3.29Å; H303-Y362 PolarHBondContact NE2-OH 3.06Å
304	E	89	Confident	97	Very high	132 Å²	132	30.5 Å²	30.5	62%	0.617	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	48	175.9	-60.8	-172.5	160.1	0	0	114.7	M306	E304-M306 HydrophobicContact CB-CE 4.19Å; E304-M306 PolarHBondContact O-N 3.49Å
305	G	91.3	Very high	96.9	Very high	36 Å²	36	26 Å²	26	37%	0.371	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	5.3	179.2	0	0	0	0	0	114.6	H303 E321	H303-G305 PolarHBondContact O-N 3.26Å; G305-E321 WeakPolarHBondContact CA-OE2 3.07Å; G305-E321 WeakPolarHBondContact O-CB 3.38Å; G305-E321 PolarHBondContact O-N 2.71Å
306	M	95.1	Very high	96.9	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	145.1	173.7	-63.6	171.2	-86.9	0	0	111.4	N302 H303 E304 I308 L318 F319 L327 Y362 F363 M368	N302-M306 CarbonylContact C-O 3.54Å; N302-M306 VanDerWaalsContact CA-O 3.22Å; N302-M306 WeakPolarHBondContact CA-O 3.37Å; N302-M306 PolarHBondContact ND2-O 3.41Å; H303-M306 PolarHBondContact N-O 3.24Å; H303-M306 WeakPolarHBondContact O-CB 3.45Å; H303-M306 PolarHBondContact O-N 3.45Å; E304-M306 HydrophobicContact CB-CE 4.19Å; E304-M306 PolarHBondContact O-N 3.49Å; M306-I308 HydrophobicContact CB-CD1 4.37Å; M306-I308 HydrophobicContact CB-CG1 4.09Å; M306-L318 HydrophobicContact SD-CD2 4.12Å; M306-F319 CarbonylContact C-O 3.5Å; M306-F319 VanDerWaalsContact CA-O 3.25Å; M306-F319 WeakPolarHBondContact CA-O 3.44Å; M306-L327 HydrophobicContact CG-CD1 4.24Å; M306-Y362 HydrophobicContact CE-CE2 3.85Å; M306-Y362 HydrophobicContact SD-CE2 4.25Å; M306-F363 HydrophobicContact CE-CD2 3.77Å; M306-F363 HydrophobicContact CE-CE2 4.03Å; M306-F363 HydrophobicContact SD-CD2 4.42Å; M306-M368 HydrophobicContact CE-CE 4.22Å; M306-M368 HydrophobicContact CG-CE 4.03Å; M306-M368 HydrophobicContact CG-SD 4.41Å; M306-M368 HydrophobicContact SD-CE 3.21Å; M306-M368 WeakPolarHBondContact SD-CE 3.32Å; M306-M368 HydrophobicContact SD-SD 4.05Å
307	V	97.5	Very high	96.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	118.4	164.4	-179.9	0	0	0	0	108.7	Y268 F290 V300 T309 F319 E321	Y268-V307 HydrophobicContact CD1-CG1 4.27Å; Y268-V307 HydrophobicContact CD1-CG2 3.63Å; Y268-V307 HydrophobicContact CE1-CG2 3.51Å; F290-V307 HydrophobicContact CD1-CB 4.4Å; F290-V307 HydrophobicContact CD2-CG1 4.02Å; F290-V307 HydrophobicContact CE1-CB 4.02Å; F290-V307 HydrophobicContact CE1-CG2 3.96Å; F290-V307 HydrophobicContact CE2-CB 4.18Å; F290-V307 HydrophobicContact CE2-CG1 3.96Å; F290-V307 HydrophobicContact CE2-CG2 3.89Å; F290-V307 HydrophobicContact CG-CG1 4.37Å; F290-V307 HydrophobicContact CZ-CB 3.92Å; F290-V307 HydrophobicContact CZ-CG1 4.23Å; F290-V307 HydrophobicContact CZ-CG2 3.47Å; F290-V307 VanDerWaalsContact CZ-CG2 3.47Å; V300-V307 HydrophobicContact CG2-CG1 3.74Å; V307-T309 HydrophobicContact CG1-CG2 4.4Å; V307-F319 HydrophobicContact CB-CB 4.42Å; V307-F319 PolarHBondContact N-O 2.97Å; V307-F319 PolarHBondContact O-N 3.26Å; V307-E321 HydrophobicContact CG2-CB 4.29Å; V307-E321 HydrophobicContact CG2-CG 4.37Å
308	I	98.1	Very high	96.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.1	-173.8	-52.4	175.5	0	0	0	108.6	V300 R301 H303 M306 V316 R317 L318 F341 I343 L348 Y362	V300-I308 WeakPolarHBondContact CA-O 3.27Å; R301-I308 PolarHBondContact N-O 3.25Å; R301-I308 PolarHBondContact O-N 3.03Å; H303-I308 HydrophobicContact CB-CD1 4.45Å; M306-I308 HydrophobicContact CB-CD1 4.37Å; M306-I308 HydrophobicContact CB-CG1 4.09Å; I308-V316 HydrophobicContact CG2-CG1 3.66Å; I308-R317 CarbonylContact C-O 3.58Å; I308-R317 VanDerWaalsContact CA-O 3.29Å; I308-R317 WeakPolarHBondContact CA-O 3.48Å; I308-L318 HydrophobicContact CD1-CG 4.47Å; I308-L318 HydrophobicContact CG1-CG 4.16Å; I308-L318 HydrophobicContact CG2-CD1 4.4Å; I308-L318 HydrophobicContact CG2-CG 4.47Å; I308-F341 HydrophobicContact CB-CE1 4.3Å; I308-F341 HydrophobicContact CB-CE2 4.07Å; I308-F341 HydrophobicContact CB-CZ 3.6Å; I308-F341 HydrophobicContact CG2-CD1 4.4Å; I308-F341 HydrophobicContact CG2-CD2 4.45Å; I308-F341 HydrophobicContact CG2-CE1 3.76Å; I308-F341 HydrophobicContact CG2-CE2 3.81Å; I308-F341 HydrophobicContact CG2-CZ 3.43Å; I308-F341 VanDerWaalsContact CG2-CZ 3.43Å; I308-F341 WeakPolarHBondContact O-CZ 3.24Å; I308-I343 HydrophobicContact CD1-CD1 3.34Å; I308-L348 HydrophobicContact CG2-CD1 3.83Å; I308-Y362 HydrophobicContact CD1-CD2 4.15Å; I308-Y362 HydrophobicContact CD1-CE2 3.9Å
309	T	98.6	Very high	96.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.2	-172.7	62.1	0	0	0	0	111.8	A276 H293 V297 Y299 V300 V307 V316 R317 F319	A276-T309 HydrophobicContact CB-CG2 3.71Å; H293-T309 PolarHBondContact NE2-OG1 2.83Å; V297-T309 HydrophobicContact CG1-CG2 4.02Å; Y299-T309 CarbonylContact O-C 3.57Å; Y299-T309 VanDerWaalsContact O-CA 3.27Å; Y299-T309 WeakPolarHBondContact O-CA 3.4Å; V300-T309 HydrophobicContact CB-CG2 4.41Å; V300-T309 HydrophobicContact CG2-CG2 4.06Å; V307-T309 HydrophobicContact CG1-CG2 4.4Å; T309-V316 CarbonylContact O-C 3.54Å; T309-V316 VanDerWaalsContact O-CA 3.25Å; T309-V316 WeakPolarHBondContact O-CA 3.22Å; T309-R317 PolarHBondContact N-O 2.82Å; T309-R317 PolarHBondContact O-N 2.96Å; T309-R317 PolarHBondContact OG1-O 2.82Å; T309-F319 HydrophobicContact CG2-CE2 4.29Å
310	A	98.5	Very high	96.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.8	164	0	0	0	0	0	109.8	V297 N298 Y299 C338 F341	V297-A310 CarbonylContact C-O 3.57Å; N298-A310 PolarHBondContact N-O 3.47Å; Y299-A310 PolarHBondContact N-O 3.44Å; Y299-A310 PolarHBondContact O-N 2.58Å; A310-C338 HydrophobicContact CB-CB 4.17Å; A310-C338 WeakPolarHBondContact CB-SG 3.02Å; A310-F341 HydrophobicContact CB-CD1 4.02Å; A310-F341 HydrophobicContact CB-CE1 4.41Å
311	C	98.4	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.4	-177.3	-175.2	0	0	0	0	112.3	R295 S296 D313 G314 C315 C338	R295-C311 PolarHBondContact O-SG 2.84Å; S296-C311 VanDerWaalsContact O-CA 3.3Å; S296-C311 WeakPolarHBondContact O-CA 3.31Å; S296-C311 PolarHBondContact O-SG 2.92Å; C311-D313 VanDerWaalsContact CB-OD1 3.24Å; C311-D313 WeakPolarHBondContact CB-OD1 3.33Å; C311-D313 PolarHBondContact O-N 3.3Å; C311-D313 PolarHBondContact SG-OD1 3.13Å; C311-D313 PolarHBondContact SG-OD2 2.84Å; C311-G314 PolarHBondContact O-N 3Å; C311-G314 VanDerWaalsContact O-N 3.11Å; C311-C315 PolarHBondContact N-O 3.25Å; C311-C338 WeakPolarHBondContact O-CB 3.22Å; C311-C338 PolarHBondContact O-N 2.93Å
312	S	98.3	Very high	96.2	Very high	13 Å²	13	24.8 Å²	24.8	9%	0.091	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-8.5	175.3	-49.3	0	0	0	0	113.6	R295 S296 N298 G314 S337	R295-S312 WeakPolarHBondContact CD-O 2.97Å; R295-S312 PolarHBondContact NH1-O 3.38Å; S296-S312 PolarHBondContact O-N 3.26Å; N298-S312 PolarHBondContact ND2-N 2.8Å; N298-S312 PolarHBondContact ND2-OG 3.12Å; N298-S312 PolarHBondContact OD1-OG 3.39Å; N298-S312 VanDerWaalsContact OD1-OG 3.14Å; S312-G314 PolarHBondContact O-N 3.29Å; S312-S337 VanDerWaalsContact CA-OG 3.31Å; S312-S337 WeakPolarHBondContact CA-OG 3.25Å; S312-S337 WeakPolarHBondContact CB-OG 3.44Å; S312-S337 PolarHBondContact OG-OG 2.74Å
313	D	97.5	Very high	96.1	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.064	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	14.1	170.9	69.8	9.7	0	0	0	113.6	T294 R295 C311 C315 R317	T294-D313 PolarHBondContact N-OD2 3.04Å; T294-D313 VanDerWaalsContact N-OD2 3.13Å; T294-D313 WeakPolarHBondContact OG1-CB 3.22Å; T294-D313 PolarHBondContact OG1-OD2 2.78Å; R295-D313 HydrophobicContact CB-CB 4.17Å; R295-D313 HydrophobicContact CG-CB 4.07Å; C311-D313 VanDerWaalsContact CB-OD1 3.24Å; C311-D313 WeakPolarHBondContact CB-OD1 3.33Å; C311-D313 PolarHBondContact O-N 3.3Å; C311-D313 PolarHBondContact SG-OD1 3.13Å; C311-D313 PolarHBondContact SG-OD2 2.84Å; D313-C315 VanDerWaalsContact C-N 3.28Å; D313-C315 PolarHBondContact O-N 2.85Å; D313-C315 PolarHBondContact O-SG 2.88Å; D313-C315 VanDerWaalsContact O-SG 3.32Å; D313-C315 VanDerWaalsContact OD1-CB 3.25Å; D313-C315 WeakPolarHBondContact OD1-CB 3.44Å; D313-C315 PolarHBondContact OD1-N 2.87Å; D313-R317 VanDerWaalsContact CG-NH1 3.34Å; D313-R317 IonicContact OD1-CZ 2.93Å; D313-R317 IonicContact OD1-NH1 2.67Å; D313-R317 PolarHBondContact OD1-NH1 2.82Å; D313-R317 IonicContact OD1-NH2 3.21Å; D313-R317 IonicContact OD2-CZ 3.2Å; D313-R317 IonicContact OD2-NH1 3.99Å; D313-R317 PolarHBondContact OD2-NH1 3.1Å; D313-R317 IonicContact OD2-NH2 2.7Å; D313-R317 PolarHBondContact OD2-NH2 3.47Å
314	G	96.7	Very high	96.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	24.8	177.3	0	0	0	0	0	114.1	C311 S312 H332 E336	C311-G314 PolarHBondContact O-N 3Å; C311-G314 VanDerWaalsContact O-N 3.11Å; S312-G314 PolarHBondContact O-N 3.29Å; G314-H332 VanDerWaalsContact O-CB 3.31Å; G314-H332 WeakPolarHBondContact O-CB 3.21Å; G314-H332 PolarHBondContact O-N 3.13Å; G314-E336 WeakPolarHBondContact CA-O 3.49Å
315	C	97.3	Very high	96.4	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.02	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.5	-180	-52.3	0	0	0	0	112.1	C311 D313 K329 L330	C311-C315 PolarHBondContact N-O 3.25Å; D313-C315 VanDerWaalsContact C-N 3.28Å; D313-C315 PolarHBondContact O-N 2.85Å; D313-C315 PolarHBondContact O-SG 2.88Å; D313-C315 VanDerWaalsContact O-SG 3.32Å; D313-C315 VanDerWaalsContact OD1-CB 3.25Å; D313-C315 WeakPolarHBondContact OD1-CB 3.44Å; D313-C315 PolarHBondContact OD1-N 2.87Å; C315-K329 HydrophobicContact CB-CG 4.22Å; C315-K329 WeakPolarHBondContact SG-CE 3.29Å; C315-L330 CarbonylContact C-O 3.55Å; C315-L330 WeakPolarHBondContact CA-O 3.29Å; C315-L330 WeakPolarHBondContact CB-O 3.15Å
316	V	97.7	Very high	96.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.9	158.9	179.3	0	0	0	0	108.2	I308 T309 L318 K329 L330 L348	I308-V316 HydrophobicContact CG2-CG1 3.66Å; T309-V316 CarbonylContact O-C 3.54Å; T309-V316 VanDerWaalsContact O-CA 3.25Å; T309-V316 WeakPolarHBondContact O-CA 3.22Å; V316-L318 HydrophobicContact CG1-CD1 4.27Å; V316-K329 WeakPolarHBondContact O-CA 3.5Å; V316-L330 HydrophobicContact CB-CB 4.21Å; V316-L330 HydrophobicContact CB-CD1 4.31Å; V316-L330 HydrophobicContact CG1-CD1 4.38Å; V316-L330 PolarHBondContact N-O 2.86Å; V316-L330 PolarHBondContact O-N 3.47Å; V316-L348 HydrophobicContact CG1-CD1 3.83Å; V316-L348 HydrophobicContact CG1-CD2 4.29Å; V316-L348 HydrophobicContact CG2-CD2 4.17Å
317	R	97.2	Very high	96.5	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.011	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.7	177.5	-67.6	176.3	-179.7	73.1	-5.2	110.5	K292 I308 T309 D313 F319 L326 K328 K329	K292-R317 VanDerWaalsContact O-CZ 3.31Å; K292-R317 PolarHBondContact O-NE 3.05Å; K292-R317 PolarHBondContact O-NH2 2.74Å; I308-R317 CarbonylContact C-O 3.58Å; I308-R317 VanDerWaalsContact CA-O 3.29Å; I308-R317 WeakPolarHBondContact CA-O 3.48Å; T309-R317 PolarHBondContact N-O 2.82Å; T309-R317 PolarHBondContact O-N 2.96Å; T309-R317 PolarHBondContact OG1-O 2.82Å; D313-R317 VanDerWaalsContact CG-NH1 3.34Å; D313-R317 IonicContact OD1-CZ 2.93Å; D313-R317 IonicContact OD1-NH1 2.67Å; D313-R317 PolarHBondContact OD1-NH1 2.82Å; D313-R317 IonicContact OD1-NH2 3.21Å; D313-R317 IonicContact OD2-CZ 3.2Å; D313-R317 IonicContact OD2-NH1 3.99Å; D313-R317 PolarHBondContact OD2-NH1 3.1Å; D313-R317 IonicContact OD2-NH2 2.7Å; D313-R317 PolarHBondContact OD2-NH2 3.47Å; R317-F319 HydrophobicContact CB-CD2 4.25Å; R317-F319 HydrophobicContact CB-CE2 3.48Å; R317-F319 VanDerWaalsContact CB-CE2 3.48Å; R317-F319 HydrophobicContact CB-CZ 3.89Å; R317-F319 HydrophobicContact CG-CE2 4.47Å; R317-F319 HydrophobicContact CG-CZ 4.48Å; R317-L326 HydrophobicContact CB-CD1 3.74Å; R317-L326 HydrophobicContact CG-CD1 3.9Å; R317-K328 WeakPolarHBondContact CA-O 3.41Å; R317-K329 HydrophobicContact CG-CG 4.18Å
318	L	97	Very high	96.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.2	175.6	-66.4	61.5	0	0	0	107.3	M306 I308 V316 L327 K328 L330 Y362	M306-L318 HydrophobicContact SD-CD2 4.12Å; I308-L318 HydrophobicContact CD1-CG 4.47Å; I308-L318 HydrophobicContact CG1-CG 4.16Å; I308-L318 HydrophobicContact CG2-CD1 4.4Å; I308-L318 HydrophobicContact CG2-CG 4.47Å; V316-L318 HydrophobicContact CG1-CD1 4.27Å; L318-L327 HydrophobicContact CB-CB 4.45Å; L318-L327 PolarHBondContact O-N 2.72Å; L318-K328 HydrophobicContact CB-CB 4.15Å; L318-K328 HydrophobicContact CD1-CB 4.24Å; L318-K328 HydrophobicContact CD2-CB 3.98Å; L318-K328 HydrophobicContact CD2-CD 4.33Å; L318-K328 HydrophobicContact CG-CB 4.36Å; L318-K328 PolarHBondContact N-O 3.36Å; L318-K328 PolarHBondContact O-N 3.24Å; L318-L330 HydrophobicContact CD1-CD1 4.19Å; L318-L330 HydrophobicContact CD1-CG 4.38Å; L318-Y362 HydrophobicContact CD2-CD2 3.64Å; L318-Y362 HydrophobicContact CD2-CG 4.41Å; L318-Y362 HydrophobicContact CG-CD2 4.38Å
319	F	96.6	Very high	96.1	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	146.9	176.5	-59.7	-93.4	0	0	0	110.2	F290 S291 H293 M306 V307 T309 R317 E321 E325 L326	F290-F319 HydrophobicContact CB-CD1 4.23Å; F290-F319 HydrophobicContact CB-CD2 4.07Å; F290-F319 HydrophobicContact CB-CE1 4.28Å; F290-F319 HydrophobicContact CB-CE2 4.13Å; F290-F319 HydrophobicContact CB-CG 4.13Å; F290-F319 HydrophobicContact CB-CZ 4.23Å; F290-F319 HydrophobicContact CD1-CB 3.48Å; F290-F319 VanDerWaalsContact CD1-CB 3.48Å; F290-F319 HydrophobicContact CD1-CD1 4.06Å; F290-F319 HydrophobicContact CD1-CD2 4.24Å; F290-F319 AromaticContact CD1-CG 3.69Å; F290-F319 HydrophobicContact CD1-CG 3.69Å; F290-F319 HydrophobicContact CE1-CB 3.9Å; F290-F319 HydrophobicContact CG-CB 4.42Å; F290-F319 HydrophobicContact CG-CD2 4.42Å; F290-F319 HydrophobicContact CG-CG 4.27Å; S291-F319 WeakPolarHBondContact O-CE1 3.4Å; S291-F319 WeakPolarHBondContact O-CZ 3.5Å; H293-F319 AromaticContact CE1-CE2 3.65Å; H293-F319 AromaticContact CE1-CZ 3.61Å; H293-F319 AromaticContact NE2-CE2 3.84Å; M306-F319 CarbonylContact C-O 3.5Å; M306-F319 VanDerWaalsContact CA-O 3.25Å; M306-F319 WeakPolarHBondContact CA-O 3.44Å; V307-F319 HydrophobicContact CB-CB 4.42Å; V307-F319 PolarHBondContact N-O 2.97Å; V307-F319 PolarHBondContact O-N 3.26Å; T309-F319 HydrophobicContact CG2-CE2 4.29Å; R317-F319 HydrophobicContact CB-CD2 4.25Å; R317-F319 HydrophobicContact CB-CE2 3.48Å; R317-F319 VanDerWaalsContact CB-CE2 3.48Å; R317-F319 HydrophobicContact CB-CZ 3.89Å; R317-F319 HydrophobicContact CG-CE2 4.47Å; R317-F319 HydrophobicContact CG-CZ 4.48Å; F319-E321 PolarHBondContact O-N 2.87Å; F319-E325 CarbonylContact C-O 3.55Å; F319-E325 WeakPolarHBondContact CA-O 3.3Å; F319-L326 HydrophobicContact CD1-CB 4.1Å; F319-L326 HydrophobicContact CD1-CD1 4.16Å; F319-L326 HydrophobicContact CE1-CB 3.93Å; F319-L326 HydrophobicContact CE1-CD1 3.74Å; F319-L326 HydrophobicContact CE1-CG 4.43Å; F319-L326 HydrophobicContact CE2-CD1 4.36Å; F319-L326 HydrophobicContact CZ-CD1 3.86Å
320	D	94.9	Very high	95.9	Very high	32 Å²	32	34.6 Å²	34.6	17%	0.171	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129.2	166.3	-175.4	-79	0	0	0	109.2	K322 T323 G324 E325 L327	D320-K322 VanDerWaalsContact C-N 3.3Å; D320-K322 PolarHBondContact O-N 2.92Å; D320-K322 VanDerWaalsContact OD1-CA 3.29Å; D320-K322 WeakPolarHBondContact OD1-CA 3.31Å; D320-K322 WeakPolarHBondContact OD1-CB 3.46Å; D320-K322 PolarHBondContact OD1-N 3.27Å; D320-T323 WeakPolarHBondContact CB-OG1 3.42Å; D320-T323 PolarHBondContact OD1-N 3.48Å; D320-T323 PolarHBondContact OD1-OG1 2.67Å; D320-G324 VanDerWaalsContact O-CA 3.23Å; D320-G324 WeakPolarHBondContact O-CA 3.05Å; D320-G324 PolarHBondContact O-N 2.62Å; D320-E325 PolarHBondContact N-O 3.4Å; D320-L327 HydrophobicContact CB-CD1 4.05Å; D320-L327 HydrophobicContact CB-CD2 4.08Å; D320-L327 HydrophobicContact CB-CG 4.13Å
321	E	95.1	Very high	95.8	Very high	45 Å²	45	37.7 Å²	37.7	21%	0.21	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-32.6	-177.9	179.5	-179.1	178.5	0	0	113.1	Y268 R288 N302 G305 V307 F319	Y268-E321 HydrophobicContact CE1-CG 4.42Å; Y268-E321 VanDerWaalsContact OH-CD 3.3Å; Y268-E321 PolarHBondContact OH-OE1 3.25Å; R288-E321 WeakPolarHBondContact CD-O 3.46Å; R288-E321 PolarHBondContact NE-O 2.9Å; N302-E321 VanDerWaalsContact ND2-CD 3.3Å; N302-E321 PolarHBondContact ND2-OE2 3.4Å; G305-E321 WeakPolarHBondContact CA-OE2 3.07Å; G305-E321 WeakPolarHBondContact O-CB 3.38Å; G305-E321 PolarHBondContact O-N 2.71Å; V307-E321 HydrophobicContact CG2-CB 4.29Å; V307-E321 HydrophobicContact CG2-CG 4.37Å; F319-E321 PolarHBondContact O-N 2.87Å
322	K	94	Very high	95.7	Very high	169 Å²	169	37.7 Å²	37.7	74%	0.735	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-26.9	-174.1	-65	-178.5	-175.4	170.2	0	113.5	R288 D320	R288-K322 PolarHBondContact NE-O 3.11Å; R288-K322 PolarHBondContact NH1-O 2.93Å; R288-K322 PolarHBondContact NH2-O 3.06Å; D320-K322 VanDerWaalsContact C-N 3.3Å; D320-K322 PolarHBondContact O-N 2.92Å; D320-K322 VanDerWaalsContact OD1-CA 3.29Å; D320-K322 WeakPolarHBondContact OD1-CA 3.31Å; D320-K322 WeakPolarHBondContact OD1-CB 3.46Å; D320-K322 PolarHBondContact OD1-N 3.27Å
323	T	94.8	Very high	95.4	Very high	74 Å²	74	40.2 Å²	40.2	45%	0.454	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-31.8	177	70.8	0	0	0	0	110.8	D320 E325	D320-T323 WeakPolarHBondContact CB-OG1 3.42Å; D320-T323 PolarHBondContact OD1-N 3.48Å; D320-T323 PolarHBondContact OD1-OG1 2.67Å; T323-E325 VanDerWaalsContact C-N 3.25Å; T323-E325 WeakPolarHBondContact OG1-CB 3.16Å; T323-E325 WeakPolarHBondContact OG1-CG 3.36Å; T323-E325 PolarHBondContact OG1-N 3.17Å
324	G	95	Very high	95	Very high	20 Å²	20	44.2 Å²	44.2	21%	0.206	23%	0.227	C	C	.	.			trans	80.6	6.8	-171.1	0	0	0	0	0	113.3	D320	D320-G324 VanDerWaalsContact O-CA 3.23Å; D320-G324 WeakPolarHBondContact O-CA 3.05Å; D320-G324 PolarHBondContact O-N 2.62Å
325	E	95.1	Very high	94.6	Very high	118 Å²	118	50.4 Å²	50.4	55%	0.551	26%	0.256	S	S	*	.			trans	-71.9	144.8	179	-68.7	179.3	167	0	0	111.5	F319 D320 T323 L327	F319-E325 CarbonylContact C-O 3.55Å; F319-E325 WeakPolarHBondContact CA-O 3.3Å; D320-E325 PolarHBondContact N-O 3.4Å; T323-E325 VanDerWaalsContact C-N 3.25Å; T323-E325 WeakPolarHBondContact OG1-CB 3.16Å; T323-E325 WeakPolarHBondContact OG1-CG 3.36Å; T323-E325 PolarHBondContact OG1-N 3.17Å; E325-L327 PolarHBondContact O-N 3.13Å
326	L	95.5	Very high	94.5	Very high	69 Å²	69	54.6 Å²	54.6	36%	0.361	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	109.7	174.9	178	68.3	0	0	0	108.9	K292 R317 F319 K328	K292-L326 HydrophobicContact CG-CD2 4.45Å; R317-L326 HydrophobicContact CB-CD1 3.74Å; R317-L326 HydrophobicContact CG-CD1 3.9Å; F319-L326 HydrophobicContact CD1-CB 4.1Å; F319-L326 HydrophobicContact CD1-CD1 4.16Å; F319-L326 HydrophobicContact CE1-CB 3.93Å; F319-L326 HydrophobicContact CE1-CD1 3.74Å; F319-L326 HydrophobicContact CE1-CG 4.43Å; F319-L326 HydrophobicContact CE2-CD1 4.36Å; F319-L326 HydrophobicContact CZ-CD1 3.86Å; L326-K328 WeakPolarHBondContact CD1-O 3.38Å
327	L	93	Very high	94.4	Very high	44 Å²	44	55 Å²	55	23%	0.23	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-44.9	178.6	-60.6	177.8	0	0	0	111.6	M306 L318 D320 E325 M368 N371	M306-L327 HydrophobicContact CG-CD1 4.24Å; L318-L327 HydrophobicContact CB-CB 4.45Å; L318-L327 PolarHBondContact O-N 2.72Å; D320-L327 HydrophobicContact CB-CD1 4.05Å; D320-L327 HydrophobicContact CB-CD2 4.08Å; D320-L327 HydrophobicContact CB-CG 4.13Å; E325-L327 PolarHBondContact O-N 3.13Å; L327-M368 HydrophobicContact CD1-CE 3.93Å; L327-N371 WeakPolarHBondContact CD2-ND2 3.38Å
328	K	92.8	Very high	94.4	Very high	31 Å²	31	54.9 Å²	54.9	14%	0.135	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	148.5	-173.1	-159.8	173.3	-172.4	178.2	0	111.7	D15 R317 L318 L326 L330 R361 Y362	D15-K328 WeakPolarHBondContact OD1-CE 3.25Å; D15-K328 IonicContact OD1-NZ 2.87Å; D15-K328 PolarHBondContact OD1-NZ 3.08Å; D15-K328 WeakPolarHBondContact OD2-CE 3.13Å; D15-K328 IonicContact OD2-NZ 3.82Å; D15-K328 PolarHBondContact OD2-NZ 3.39Å; R317-K328 WeakPolarHBondContact CA-O 3.41Å; L318-K328 HydrophobicContact CB-CB 4.15Å; L318-K328 HydrophobicContact CD1-CB 4.24Å; L318-K328 HydrophobicContact CD2-CB 3.98Å; L318-K328 HydrophobicContact CD2-CD 4.33Å; L318-K328 HydrophobicContact CG-CB 4.36Å; L318-K328 PolarHBondContact N-O 3.36Å; L318-K328 PolarHBondContact O-N 3.24Å; L326-K328 WeakPolarHBondContact CD1-O 3.38Å; K328-L330 HydrophobicContact CD-CD2 4.14Å; K328-L330 HydrophobicContact CG-CD2 4.32Å; K328-R361 PolarHBondContact NZ-O 2.75Å; K328-Y362 WeakPolarHBondContact CD-O 3.33Å; K328-Y362 PolarHBondContact NZ-O 3.12Å
329	K	94.2	Very high	94.4	Very high	90 Å²	90	56.2 Å²	56.2	39%	0.391	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	117.5	174.6	-175.6	-177.7	178.2	-172.2	0	109.1	C315 V316 R317 I331	C315-K329 HydrophobicContact CB-CG 4.22Å; C315-K329 WeakPolarHBondContact SG-CE 3.29Å; V316-K329 WeakPolarHBondContact O-CA 3.5Å; R317-K329 HydrophobicContact CG-CG 4.18Å; K329-I331 HydrophobicContact CD-CD1 4.13Å; K329-I331 HydrophobicContact CD-CG1 4.18Å; K329-I331 HydrophobicContact CG-CD1 4.39Å; K329-I331 HydrophobicContact CG-CG1 3.97Å
330	L	95.1	Very high	94.5	Very high	1 Å²	1	57 Å²	57	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.8	175	-52.6	172.2	0	0	0	107.8	D15 C315 V316 L318 K328 W360	D15-L330 HydrophobicContact CB-CD2 3.81Å; C315-L330 CarbonylContact C-O 3.55Å; C315-L330 WeakPolarHBondContact CA-O 3.29Å; C315-L330 WeakPolarHBondContact CB-O 3.15Å; V316-L330 HydrophobicContact CB-CB 4.21Å; V316-L330 HydrophobicContact CB-CD1 4.31Å; V316-L330 HydrophobicContact CG1-CD1 4.38Å; V316-L330 PolarHBondContact N-O 2.86Å; V316-L330 PolarHBondContact O-N 3.47Å; L318-L330 HydrophobicContact CD1-CD1 4.19Å; L318-L330 HydrophobicContact CD1-CG 4.38Å; K328-L330 HydrophobicContact CD-CD2 4.14Å; K328-L330 HydrophobicContact CG-CD2 4.32Å; L330-W360 HydrophobicContact CB-CD2 3.94Å; L330-W360 HydrophobicContact CB-CE3 3.81Å; L330-W360 HydrophobicContact CB-CG 4.48Å; L330-W360 HydrophobicContact CB-CZ3 4.11Å; L330-W360 HydrophobicContact CD1-CB 3.71Å; L330-W360 HydrophobicContact CD1-CD2 4.08Å; L330-W360 HydrophobicContact CD1-CE3 4.45Å; L330-W360 HydrophobicContact CD1-CG 3.73Å; L330-W360 HydrophobicContact CD2-CB 4.44Å; L330-W360 HydrophobicContact CD2-CD2 4.45Å; L330-W360 HydrophobicContact CD2-CE3 4Å; L330-W360 HydrophobicContact CG-CD2 4.38Å; L330-W360 HydrophobicContact CG-CE3 4.3Å
331	I	96.2	Very high	94.6	Very high	66 Å²	66	55.6 Å²	55.6	34%	0.338	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116.9	-169.6	-53.2	178.7	0	0	0	108.9	K329 Q335 W360	K329-I331 HydrophobicContact CD-CD1 4.13Å; K329-I331 HydrophobicContact CD-CG1 4.18Å; K329-I331 HydrophobicContact CG-CD1 4.39Å; K329-I331 HydrophobicContact CG-CG1 3.97Å; I331-Q335 HydrophobicContact CG2-CG 4.1Å; I331-W360 WeakPolarHBondContact O-CH2 3.23Å
332	H	94.8	Very high	94.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.284	C	S	.	.			trans	-56.2	132.4	172.4	-69	-169.5	0	0	0	108.8	G314 N334 Q335 E336 S350 S352 Y358 W360	G314-H332 VanDerWaalsContact O-CB 3.31Å; G314-H332 WeakPolarHBondContact O-CB 3.21Å; G314-H332 PolarHBondContact O-N 3.13Å; H332-N334 PolarHBondContact O-N 2.87Å; H332-N334 VanDerWaalsContact O-N 3.13Å; H332-Q335 WeakPolarHBondContact O-CA 3.44Å; H332-Q335 PolarHBondContact O-N 3.47Å; H332-E336 PolarHBondContact ND1-O 2.95Å; H332-S350 PolarHBondContact NE2-OG 2.98Å; H332-S352 PolarHBondContact ND1-OG 2.9Å; H332-Y358 HydrophobicContact CB-CE2 4.26Å; H332-Y358 AromaticContact CD2-CD2 3.92Å; H332-Y358 AromaticContact CE1-CD2 3.72Å; H332-Y358 AromaticContact CG-CD2 3.87Å; H332-Y358 AromaticContact CG-CE2 3.87Å; H332-Y358 AromaticContact ND1-CD2 3.77Å; H332-Y358 AromaticContact ND1-CE2 3.68Å; H332-Y358 AromaticContact NE2-CD2 3.82Å; H332-W360 AromaticContact CD2-CZ2 3.52Å
333	P	93.2	Very high	94.7	Very high	66 Å²	66	49.5 Å²	49.5	43%	0.429	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-38.4	-178.1	-29.2	35.5	0	0	0	114.2	L16 I19 Y358	L16-P333 HydrophobicContact CD2-CG 3.67Å; I19-P333 HydrophobicContact CD1-CG 4.27Å; P333-Y358 HydrophobicContact CG-CE1 3.98Å
334	N	89.2	Confident	94.6	Very high	95 Å²	95	48.9 Å²	48.9	51%	0.508	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-1.2	178.8	-66.3	-18.3	0	0	0	113.6	H332 E336	H332-N334 PolarHBondContact O-N 2.87Å; H332-N334 VanDerWaalsContact O-N 3.13Å; N334-E336 HydrophobicContact CB-CG 4.08Å; N334-E336 PolarHBondContact O-N 2.72Å
335	Q	88.6	Confident	94.2	Very high	130 Å²	130	50.1 Å²	50.1	61%	0.607	26%	0.258	S	S	*	.			trans	53.6	23.5	-175.4	-58.1	-179.2	38.4	0	0	114.5	I331 H332	I331-Q335 HydrophobicContact CG2-CG 4.1Å; H332-Q335 WeakPolarHBondContact O-CA 3.44Å; H332-Q335 PolarHBondContact O-N 3.47Å
336	E	94.7	Very high	94	Very high	91 Å²	91	47.1 Å²	47.1	43%	0.425	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-71.2	146.1	175	-75	-66.7	167.7	0	0	111.4	G314 H332 N334 C338 D354	G314-E336 WeakPolarHBondContact CA-O 3.49Å; H332-E336 PolarHBondContact ND1-O 2.95Å; N334-E336 HydrophobicContact CB-CG 4.08Å; N334-E336 PolarHBondContact O-N 2.72Å; E336-C338 PolarHBondContact O-N 3.42Å; E336-D354 HydrophobicContact CB-CB 4.06Å; E336-D354 HydrophobicContact CG-CB 4Å
337	S	96.2	Very high	93.8	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.063	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-51.6	124.2	-170	172.2	0	0	0	0	112.2	N298 S312 S352 N353	N298-S337 PolarHBondContact ND2-OG 2.9Å; S312-S337 VanDerWaalsContact CA-OG 3.31Å; S312-S337 WeakPolarHBondContact CA-OG 3.25Å; S312-S337 WeakPolarHBondContact CB-OG 3.44Å; S312-S337 PolarHBondContact OG-OG 2.74Å; S337-S352 WeakPolarHBondContact O-CA 3.23Å; S337-N353 PolarHBondContact O-N 2.66Å
338	C	96.1	Very high	93.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	117.9	172.7	-175.9	0	0	0	0	109.2	N298 A310 C311 E336	N298-C338 PolarHBondContact ND2-O 3.47Å; A310-C338 HydrophobicContact CB-CB 4.17Å; A310-C338 WeakPolarHBondContact CB-SG 3.02Å; C311-C338 WeakPolarHBondContact O-CB 3.22Å; C311-C338 PolarHBondContact O-N 2.93Å; E336-C338 PolarHBondContact O-N 3.42Å
339	V	97.2	Very high	94.1	Very high	29 Å²	29	42.3 Å²	42.3	18%	0.176	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-53.8	-174.5	180	0	0	0	0	110.5	I27 N298 A351 N353	I27-V339 WeakPolarHBondContact O-CG2 3.3Å; N298-V339 VanDerWaalsContact CB-O 3.31Å; N298-V339 WeakPolarHBondContact CB-O 3.48Å; V339-A351 PolarHBondContact N-O 3.08Å; V339-N353 WeakPolarHBondContact CG2-OD1 3.17Å
340	M	98.2	Very high	94.3	Very high	17 Å²	17	38 Å²	38	8%	0.084	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	176.7	-177.6	67.8	95.7	60.7	0	0	110.5	L30 Y299 K342 A351	L30-M340 HydrophobicContact CB-CE 4.42Å; L30-M340 HydrophobicContact CB-SD 3.47Å; L30-M340 WeakPolarHBondContact CB-SD 3.33Å; L30-M340 HydrophobicContact CD1-SD 3.79Å; L30-M340 HydrophobicContact CG-SD 3.6Å; L30-M340 VanDerWaalsContact CG-SD 3.6Å; L30-M340 PolarHBondContact N-SD 3.22Å; Y299-M340 HydrophobicContact CD1-CB 3.85Å; Y299-M340 HydrophobicContact CD2-CB 4.14Å; Y299-M340 HydrophobicContact CE1-CB 4.28Å; Y299-M340 HydrophobicContact CE1-CE 4.03Å; Y299-M340 HydrophobicContact CE2-CE 4.34Å; Y299-M340 HydrophobicContact CG-CB 3.75Å; M340-K342 HydrophobicContact CE-CD 4.5Å; M340-A351 HydrophobicContact CG-CB 4.26Å; M340-A351 PolarHBondContact O-N 2.89Å
341	F	98.3	Very high	94.4	Very high	4 Å²	4	38 Å²	38	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	162.9	176.5	61.2	-96	0	0	0	112.4	Y299 R301 I308 A310 I343 L348 F349	Y299-F341 AromaticContact CD1-CD1 3.95Å; Y299-F341 HydrophobicContact CD1-CD1 3.95Å; Y299-F341 AromaticContact CD1-CE1 3.79Å; Y299-F341 HydrophobicContact CD1-CE1 3.79Å; Y299-F341 HydrophobicContact CD1-CG 4.4Å; Y299-F341 HydrophobicContact CD1-CZ 4.13Å; Y299-F341 WeakPolarHBondContact CE1-O 3.25Å; R301-F341 HydrophobicContact CB-CE2 3.98Å; R301-F341 HydrophobicContact CB-CZ 3.81Å; R301-F341 HydrophobicContact CG-CE2 4.13Å; R301-F341 HydrophobicContact CG-CZ 4.06Å; I308-F341 HydrophobicContact CB-CE1 4.3Å; I308-F341 HydrophobicContact CB-CE2 4.07Å; I308-F341 HydrophobicContact CB-CZ 3.6Å; I308-F341 HydrophobicContact CG2-CD1 4.4Å; I308-F341 HydrophobicContact CG2-CD2 4.45Å; I308-F341 HydrophobicContact CG2-CE1 3.76Å; I308-F341 HydrophobicContact CG2-CE2 3.81Å; I308-F341 HydrophobicContact CG2-CZ 3.43Å; I308-F341 VanDerWaalsContact CG2-CZ 3.43Å; I308-F341 WeakPolarHBondContact O-CZ 3.24Å; A310-F341 HydrophobicContact CB-CD1 4.02Å; A310-F341 HydrophobicContact CB-CE1 4.41Å; F341-I343 HydrophobicContact CD2-CD1 4.12Å; F341-I343 HydrophobicContact CD2-CG1 3.96Å; F341-I343 HydrophobicContact CE2-CD1 3.77Å; F341-I343 HydrophobicContact CE2-CG1 4.12Å; F341-L348 HydrophobicContact CB-CD1 4.4Å; F341-L348 HydrophobicContact CB-CD2 3.8Å; F341-L348 HydrophobicContact CB-CG 4.05Å; F341-L348 HydrophobicContact CD2-CD1 3.94Å; F341-L348 HydrophobicContact CD2-CG 4.24Å; F341-L348 HydrophobicContact CE2-CD1 4.47Å; F341-L348 HydrophobicContact CG-CD1 4.11Å; F341-L348 HydrophobicContact CG-CD2 4.37Å; F341-L348 HydrophobicContact CG-CG 4.29Å; F341-F349 CarbonylContact C-O 3.54Å; F341-F349 WeakPolarHBondContact CA-O 3.21Å; F341-F349 WeakPolarHBondContact CB-O 2.99Å
342	K	97.2	Very high	94.5	Very high	57 Å²	57	34.9 Å²	34.9	25%	0.248	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	153.6	164.4	-66.7	-63.3	-177.2	-175.1	0	110.1	L30 F32 L39 M340 L348 F349	L30-K342 HydrophobicContact CB-CG 3.76Å; L30-K342 HydrophobicContact CD1-CG 4.38Å; L30-K342 WeakPolarHBondContact O-CE 3.44Å; F32-K342 HydrophobicContact CB-CG 4.48Å; L39-K342 HydrophobicContact CD1-CB 4.33Å; L39-K342 HydrophobicContact CD1-CG 4.35Å; M340-K342 HydrophobicContact CE-CD 4.5Å; K342-L348 CarbonylContact O-C 3.55Å; K342-L348 WeakPolarHBondContact O-CA 3.39Å; K342-F349 PolarHBondContact N-O 2.82Å; K342-F349 PolarHBondContact O-N 3.25Å
343	I	94.3	Very high	94.6	Very high	28 Å²	28	38.2 Å²	38.2	14%	0.144	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.2	-179.7	-67.3	171.8	0	0	0	107.7	H303 I308 F341 Y347 L348 Y362	H303-I343 HydrophobicContact CB-CD1 4.28Å; I308-I343 HydrophobicContact CD1-CD1 3.34Å; F341-I343 HydrophobicContact CD2-CD1 4.12Å; F341-I343 HydrophobicContact CD2-CG1 3.96Å; F341-I343 HydrophobicContact CE2-CD1 3.77Å; F341-I343 HydrophobicContact CE2-CG1 4.12Å; I343-Y347 WeakPolarHBondContact CA-O 3.47Å; I343-L348 HydrophobicContact CD1-CD1 4.31Å; I343-L348 HydrophobicContact CG1-CB 4.44Å; I343-L348 HydrophobicContact CG1-CD1 4.06Å; I343-L348 HydrophobicContact CG1-CG 4.21Å; I343-Y362 HydrophobicContact CG1-CE1 4.49Å; I343-Y362 HydrophobicContact CG2-CE1 3.63Å; I343-Y362 VanDerWaalsContact CG2-OH 3.25Å; I343-Y362 WeakPolarHBondContact CG2-OH 3.42Å
344	Y	91.8	Very high	94.8	Very high	61 Å²	61	36.9 Å²	36.9	24%	0.239	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	119.1	169.2	-177.8	-104.8	0	0	0	109.7	F32 E34 L37 L53 L58 D346 Y347	F32-Y344 HydrophobicContact CD1-CD2 4.25Å; F32-Y344 HydrophobicContact CD1-CG 4.47Å; F32-Y344 HydrophobicContact CE1-CD1 4.16Å; F32-Y344 AromaticContact CE1-CD2 3.38Å; F32-Y344 HydrophobicContact CE1-CD2 3.38Å; F32-Y344 HydrophobicContact CE1-CE2 4.01Å; F32-Y344 AromaticContact CE1-CG 3.46Å; F32-Y344 HydrophobicContact CE1-CG 3.46Å; F32-Y344 VanDerWaalsContact CE1-CG 3.46Å; F32-Y344 AromaticContact CZ-CD1 3.84Å; F32-Y344 HydrophobicContact CZ-CD1 3.84Å; F32-Y344 AromaticContact CZ-CD2 3.93Å; F32-Y344 HydrophobicContact CZ-CD2 3.93Å; F32-Y344 AromaticContact CZ-CG 3.5Å; F32-Y344 HydrophobicContact CZ-CG 3.5Å; E34-Y344 HydrophobicContact CB-CD2 4.41Å; E34-Y344 HydrophobicContact CB-CE2 3.98Å; E34-Y344 HydrophobicContact CG-CD2 3.87Å; E34-Y344 HydrophobicContact CG-CE2 3.92Å; L37-Y344 HydrophobicContact CD2-CD1 4.28Å; L37-Y344 HydrophobicContact CD2-CE1 3.39Å; L37-Y344 HydrophobicContact CD2-CE2 4.19Å; L37-Y344 VanDerWaalsContact CD2-OH 3.26Å; L37-Y344 WeakPolarHBondContact CD2-OH 3.5Å; L53-Y344 HydrophobicContact CD2-CD1 4.23Å; L58-Y344 HydrophobicContact CD1-CD1 4.15Å; L58-Y344 HydrophobicContact CD1-CE1 3.82Å; L58-Y344 HydrophobicContact CD2-CD1 4.46Å; L58-Y344 HydrophobicContact CD2-CE1 4.01Å; Y344-D346 PolarHBondContact O-N 3.2Å; Y344-Y347 PolarHBondContact N-O 2.91Å; Y344-Y347 PolarHBondContact O-N 2.7Å; Y344-Y347 VanDerWaalsContact O-N 3.11Å
345	G	87.4	Confident	95.2	Very high	46 Å²	46	32.4 Å²	32.4	47%	0.474	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-133	-170.6	0	0	0	0	0	111.3	Y347 Y362	G345-Y347 PolarHBondContact O-N 3.35Å; G345-Y362 WeakPolarHBondContact O-CE1 3.31Å; G345-Y362 PolarHBondContact O-OH 3.27Å
346	D	89.1	Confident	95.6	Very high	56 Å²	56	28.8 Å²	28.8	30%	0.299	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	1.2	179.9	-68.9	-8.2	0	0	0	114.3	Y344 R361 Y362 F363	Y344-D346 PolarHBondContact O-N 3.2Å; D346-R361 IonicContact OD2-NH2 2.92Å; D346-Y362 VanDerWaalsContact C-CE1 3.44Å; D346-Y362 WeakPolarHBondContact O-CD1 3.35Å; D346-Y362 PolarHBondContact O-N 2.96Å; D346-Y362 VanDerWaalsContact O-N 3.13Å; D346-F363 HydrophobicContact CB-CB 4.49Å
347	Y	92.5	Very high	95.7	Very high	43 Å²	43	24.5 Å²	24.5	17%	0.169	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	142.2	-169.7	-56.6	-77	0	0	0	113.2	I17 L58 I343 Y344 G345 W360	I17-Y347 HydrophobicContact CD1-CD1 3.56Å; I17-Y347 HydrophobicContact CD1-CE1 3.36Å; L58-Y347 HydrophobicContact CB-CD2 3.73Å; L58-Y347 HydrophobicContact CB-CE2 3.55Å; L58-Y347 HydrophobicContact CD1-CD2 4.31Å; L58-Y347 HydrophobicContact CD1-CE2 4.12Å; L58-Y347 HydrophobicContact CG-CE2 4.42Å; I343-Y347 WeakPolarHBondContact CA-O 3.47Å; Y344-Y347 PolarHBondContact N-O 2.91Å; Y344-Y347 PolarHBondContact O-N 2.7Å; Y344-Y347 VanDerWaalsContact O-N 3.11Å; G345-Y347 PolarHBondContact O-N 3.35Å; Y347-W360 CarbonylContact C-O 3.52Å; Y347-W360 VanDerWaalsContact CA-O 3.28Å; Y347-W360 WeakPolarHBondContact CA-O 3.19Å
348	L	95.3	Very high	95.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.4	173.8	-174.8	149.6	0	0	0	109.3	I308 V316 F341 K342 I343 I359 W360 Y362	I308-L348 HydrophobicContact CG2-CD1 3.83Å; V316-L348 HydrophobicContact CG1-CD1 3.83Å; V316-L348 HydrophobicContact CG1-CD2 4.29Å; V316-L348 HydrophobicContact CG2-CD2 4.17Å; F341-L348 HydrophobicContact CB-CD1 4.4Å; F341-L348 HydrophobicContact CB-CD2 3.8Å; F341-L348 HydrophobicContact CB-CG 4.05Å; F341-L348 HydrophobicContact CD2-CD1 3.94Å; F341-L348 HydrophobicContact CD2-CG 4.24Å; F341-L348 HydrophobicContact CE2-CD1 4.47Å; F341-L348 HydrophobicContact CG-CD1 4.11Å; F341-L348 HydrophobicContact CG-CD2 4.37Å; F341-L348 HydrophobicContact CG-CG 4.29Å; K342-L348 CarbonylContact O-C 3.55Å; K342-L348 WeakPolarHBondContact O-CA 3.39Å; I343-L348 HydrophobicContact CD1-CD1 4.31Å; I343-L348 HydrophobicContact CG1-CB 4.44Å; I343-L348 HydrophobicContact CG1-CD1 4.06Å; I343-L348 HydrophobicContact CG1-CG 4.21Å; L348-I359 WeakPolarHBondContact O-CA 3.19Å; L348-W360 HydrophobicContact CB-CB 4.42Å; L348-W360 HydrophobicContact CD2-CG 4.46Å; L348-W360 PolarHBondContact N-O 2.83Å; L348-W360 VanDerWaalsContact O-CD1 3.3Å; L348-W360 PolarHBondContact O-N 2.97Å; L348-Y362 HydrophobicContact CB-CD1 3.73Å; L348-Y362 HydrophobicContact CB-CG 4Å; L348-Y362 HydrophobicContact CD1-CG 4.42Å
349	F	96.7	Very high	95.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	104.1	178.4	-52.6	-94.2	0	0	0	107.8	L30 F32 L39 L53 I61 F341 K342 I357 Y358 I359	L30-F349 HydrophobicContact CD1-CB 4.48Å; L30-F349 WeakPolarHBondContact CD1-O 3.29Å; F32-F349 HydrophobicContact CE2-CE2 4.39Å; L39-F349 HydrophobicContact CD2-CB 4.09Å; L39-F349 HydrophobicContact CD2-CD1 3.9Å; L39-F349 HydrophobicContact CD2-CG 4.1Å; L53-F349 HydrophobicContact CD2-CE1 4.42Å; L53-F349 HydrophobicContact CD2-CE2 4.47Å; L53-F349 HydrophobicContact CD2-CZ 3.73Å; L53-F349 HydrophobicContact CG-CZ 4.29Å; I61-F349 HydrophobicContact CG2-CE1 4Å; F341-F349 CarbonylContact C-O 3.54Å; F341-F349 WeakPolarHBondContact CA-O 3.21Å; F341-F349 WeakPolarHBondContact CB-O 2.99Å; K342-F349 PolarHBondContact N-O 2.82Å; K342-F349 PolarHBondContact O-N 3.25Å; F349-I357 HydrophobicContact CB-CG2 4.13Å; F349-Y358 WeakPolarHBondContact CA-O 3.15Å; F349-I359 HydrophobicContact CD1-CD1 4.02Å; F349-I359 HydrophobicContact CD1-CG1 3.89Å; F349-I359 HydrophobicContact CD1-CG2 4.15Å; F349-I359 HydrophobicContact CE1-CD1 3.95Å; F349-I359 HydrophobicContact CE1-CG1 4.21Å; F349-I359 HydrophobicContact CE1-CG2 3.91Å
350	S	97.8	Very high	95.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.7	179.4	63.3	0	0	0	0	111.5	H332 I357 Y358 W360	H332-S350 PolarHBondContact NE2-OG 2.98Å; S350-I357 WeakPolarHBondContact O-CA 3.38Å; S350-Y358 PolarHBondContact N-O 3.14Å; S350-Y358 PolarHBondContact O-N 3.09Å; S350-Y358 WeakPolarHBondContact OG-CB 3.42Å; S350-W360 PolarHBondContact OG-NE1 3.18Å
351	A	98.2	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	141.6	172.5	0	0	0	0	0	110.4	I27 L30 V339 M340	I27-A351 HydrophobicContact CB-CB 3.89Å; I27-A351 HydrophobicContact CG2-CB 3.55Å; L30-A351 HydrophobicContact CD1-CB 3.85Å; L30-A351 HydrophobicContact CD2-CB 4.33Å; L30-A351 HydrophobicContact CG-CB 3.91Å; V339-A351 PolarHBondContact N-O 3.08Å; M340-A351 HydrophobicContact CG-CB 4.26Å; M340-A351 PolarHBondContact O-N 2.89Å
352	S	97.9	Very high	94.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	152.4	-172.1	179.9	0	0	0	0	112	I27 H332 S337 D354 G355 K356	I27-S352 PolarHBondContact N-O 3.44Å; I27-S352 VanDerWaalsContact N-O 3.14Å; H332-S352 PolarHBondContact ND1-OG 2.9Å; S337-S352 WeakPolarHBondContact O-CA 3.23Å; S352-D354 WeakPolarHBondContact CB-OD1 3.21Å; S352-D354 PolarHBondContact O-N 3.32Å; S352-D354 PolarHBondContact OG-OD1 2.83Å; S352-G355 PolarHBondContact O-N 3.21Å; S352-K356 WeakPolarHBondContact CB-O 3.16Å; S352-K356 PolarHBondContact N-O 3.22Å
353	N	97.4	Very high	94.1	Very high	70 Å²	70	26.3 Å²	26.3	37%	0.374	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.5	176.3	-80.9	26.6	0	0	0	113.7	S26 S337 V339 G355	S26-N353 VanDerWaalsContact CA-O 3.28Å; S26-N353 WeakPolarHBondContact CA-O 3.32Å; S26-N353 PolarHBondContact N-O 3.33Å; S26-N353 PolarHBondContact OG-OD1 2.87Å; S337-N353 PolarHBondContact O-N 2.66Å; V339-N353 WeakPolarHBondContact CG2-OD1 3.17Å; N353-G355 PolarHBondContact O-N 3.44Å
354	D	96.9	Very high	92.9	Very high	39 Å²	39	27.2 Å²	27.2	21%	0.209	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	11.2	176.5	69.1	-14.5	0	0	0	114.1	E336 S352 K356 Y358	E336-D354 HydrophobicContact CB-CB 4.06Å; E336-D354 HydrophobicContact CG-CB 4Å; S352-D354 WeakPolarHBondContact CB-OD1 3.21Å; S352-D354 PolarHBondContact O-N 3.32Å; S352-D354 PolarHBondContact OG-OD1 2.83Å; D354-K356 VanDerWaalsContact C-N 3.29Å; D354-K356 PolarHBondContact O-N 3.29Å; D354-K356 WeakPolarHBondContact OD1-CB 3.42Å; D354-K356 PolarHBondContact OD1-N 3Å; D354-K356 WeakPolarHBondContact OD2-CD 2.84Å; D354-Y358 PolarHBondContact OD2-OH 3.16Å
355	G	97.2	Very high	91.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	76.3	15	178.8	0	0	0	0	0	114.4	H23 M25 S352 N353	H23-G355 WeakPolarHBondContact CB-O 3.1Å; M25-G355 WeakPolarHBondContact O-CA 3.49Å; S352-G355 PolarHBondContact O-N 3.21Å; N353-G355 PolarHBondContact O-N 3.44Å
356	K	97.7	Very high	90	Very high	55 Å²	55	32 Å²	32	24%	0.239	15%	0.153	C	C	.	.			trans	-112.3	147.3	-177.3	-58.8	179.8	-173.8	170.4	0	112.9	I19 C20 S352 D354 Y358	I19-K356 HydrophobicContact CG2-CB 4.23Å; I19-K356 HydrophobicContact CG2-CD 3.67Å; I19-K356 HydrophobicContact CG2-CG 4.34Å; C20-K356 CarbonylContact O-C 3.57Å; C20-K356 VanDerWaalsContact O-CA 3.24Å; C20-K356 WeakPolarHBondContact O-CA 3.48Å; S352-K356 WeakPolarHBondContact CB-O 3.16Å; S352-K356 PolarHBondContact N-O 3.22Å; D354-K356 VanDerWaalsContact C-N 3.29Å; D354-K356 PolarHBondContact O-N 3.29Å; D354-K356 WeakPolarHBondContact OD1-CB 3.42Å; D354-K356 PolarHBondContact OD1-N 3Å; D354-K356 WeakPolarHBondContact OD2-CD 2.84Å; K356-Y358 HydrophobicContact CB-CD2 4.42Å; K356-Y358 HydrophobicContact CB-CE2 3.83Å
357	I	97.3	Very high	88.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.9	163.7	-53.7	175	0	0	0	107.5	C20 I27 L30 L39 W51 F349 S350	C20-I357 HydrophobicContact CB-CB 4.19Å; C20-I357 PolarHBondContact N-O 2.87Å; C20-I357 PolarHBondContact O-N 2.89Å; I27-I357 HydrophobicContact CD1-CD1 4.36Å; I27-I357 HydrophobicContact CD1-CG1 3.49Å; I27-I357 VanDerWaalsContact CD1-CG1 3.49Å; L30-I357 HydrophobicContact CD2-CD1 4.02Å; L30-I357 HydrophobicContact CD2-CG1 4.38Å; L39-I357 HydrophobicContact CD2-CD1 3.93Å; L39-I357 HydrophobicContact CD2-CG2 4.31Å; W51-I357 HydrophobicContact CD2-CD1 4.33Å; W51-I357 HydrophobicContact CZ2-CD1 3.73Å; F349-I357 HydrophobicContact CB-CG2 4.13Å; S350-I357 WeakPolarHBondContact O-CA 3.38Å
358	Y	96.2	Very high	86.4	Confident	1 Å²	1	33.7 Å²	33.7	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.5	173	-61.6	-89.6	0	0	0	109.6	L16 I19 H332 P333 F349 S350 D354 K356 W360	L16-Y358 HydrophobicContact CD1-CD1 3.96Å; L16-Y358 HydrophobicContact CD2-CD1 4.44Å; I19-Y358 HydrophobicContact CB-CD1 4.47Å; I19-Y358 HydrophobicContact CB-CE1 4.46Å; I19-Y358 HydrophobicContact CD1-CD1 4.32Å; I19-Y358 HydrophobicContact CD1-CE1 3.95Å; I19-Y358 HydrophobicContact CG1-CD1 3.83Å; I19-Y358 HydrophobicContact CG1-CE1 3.89Å; I19-Y358 HydrophobicContact CG2-CD1 4.19Å; I19-Y358 HydrophobicContact CG2-CE1 3.84Å; H332-Y358 HydrophobicContact CB-CE2 4.26Å; H332-Y358 AromaticContact CD2-CD2 3.92Å; H332-Y358 AromaticContact CE1-CD2 3.72Å; H332-Y358 AromaticContact CG-CD2 3.87Å; H332-Y358 AromaticContact CG-CE2 3.87Å; H332-Y358 AromaticContact ND1-CD2 3.77Å; H332-Y358 AromaticContact ND1-CE2 3.68Å; H332-Y358 AromaticContact NE2-CD2 3.82Å; P333-Y358 HydrophobicContact CG-CE1 3.98Å; F349-Y358 WeakPolarHBondContact CA-O 3.15Å; S350-Y358 PolarHBondContact N-O 3.14Å; S350-Y358 PolarHBondContact O-N 3.09Å; S350-Y358 WeakPolarHBondContact OG-CB 3.42Å; D354-Y358 PolarHBondContact OD2-OH 3.16Å; K356-Y358 HydrophobicContact CB-CD2 4.42Å; K356-Y358 HydrophobicContact CB-CE2 3.83Å; Y358-W360 VanDerWaalsContact CB-NE1 3.32Å; Y358-W360 HydrophobicContact CD1-CZ2 4.19Å; Y358-W360 AromaticContact CG-CZ2 3.89Å; Y358-W360 HydrophobicContact CG-CZ2 3.89Å; Y358-W360 VanDerWaalsContact O-CD1 3.31Å; Y358-W360 PolarHBondContact O-NE1 3.06Å
359	I	95.4	Very high	84.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.6	-177.6	-49.7	-173.7	0	0	0	108.9	I17 Q18 S59 I61 L348 F349	I17-I359 PolarHBondContact N-O 3.47Å; Q18-I359 HydrophobicContact CB-CB 4.27Å; Q18-I359 HydrophobicContact CB-CD1 4.03Å; Q18-I359 HydrophobicContact CB-CG1 4.29Å; Q18-I359 HydrophobicContact CG-CD1 4.47Å; Q18-I359 PolarHBondContact O-N 3.33Å; S59-I359 WeakPolarHBondContact O-CD1 3.14Å; I61-I359 HydrophobicContact CB-CD1 4.34Å; I61-I359 HydrophobicContact CD1-CD1 3.58Å; I61-I359 HydrophobicContact CG1-CD1 3.64Å; I61-I359 HydrophobicContact CG2-CD1 3.88Å; L348-I359 WeakPolarHBondContact O-CA 3.19Å; F349-I359 HydrophobicContact CD1-CD1 4.02Å; F349-I359 HydrophobicContact CD1-CG1 3.89Å; F349-I359 HydrophobicContact CD1-CG2 4.15Å; F349-I359 HydrophobicContact CE1-CD1 3.95Å; F349-I359 HydrophobicContact CE1-CG1 4.21Å; F349-I359 HydrophobicContact CE1-CG2 3.91Å
360	W	94.8	Very high	81.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.5	-173.1	-46.1	85.9	0	0	0	111	N13 D15 L16 L330 I331 H332 Y347 L348 S350 Y358 Y362	N13-W360 WeakPolarHBondContact OD1-CZ3 3.33Å; D15-W360 CarbonylContact O-C 3.48Å; D15-W360 WeakPolarHBondContact O-CA 3.34Å; L16-W360 HydrophobicContact CB-CE3 3.84Å; L16-W360 HydrophobicContact CB-CH2 4.23Å; L16-W360 HydrophobicContact CB-CZ3 3.59Å; L16-W360 HydrophobicContact CD1-CD2 4.14Å; L16-W360 HydrophobicContact CD1-CE3 4.02Å; L16-W360 HydrophobicContact CD1-CH2 3.82Å; L16-W360 HydrophobicContact CD1-CZ2 3.94Å; L16-W360 HydrophobicContact CD1-CZ3 3.9Å; L16-W360 HydrophobicContact CD2-CH2 4.29Å; L16-W360 HydrophobicContact CD2-CZ3 4.45Å; L16-W360 HydrophobicContact CG-CH2 4.34Å; L16-W360 HydrophobicContact CG-CZ3 4.17Å; L330-W360 HydrophobicContact CB-CD2 3.94Å; L330-W360 HydrophobicContact CB-CE3 3.81Å; L330-W360 HydrophobicContact CB-CG 4.48Å; L330-W360 HydrophobicContact CB-CZ3 4.11Å; L330-W360 HydrophobicContact CD1-CB 3.71Å; L330-W360 HydrophobicContact CD1-CD2 4.08Å; L330-W360 HydrophobicContact CD1-CE3 4.45Å; L330-W360 HydrophobicContact CD1-CG 3.73Å; L330-W360 HydrophobicContact CD2-CB 4.44Å; L330-W360 HydrophobicContact CD2-CD2 4.45Å; L330-W360 HydrophobicContact CD2-CE3 4Å; L330-W360 HydrophobicContact CG-CD2 4.38Å; L330-W360 HydrophobicContact CG-CE3 4.3Å; I331-W360 WeakPolarHBondContact O-CH2 3.23Å; H332-W360 AromaticContact CD2-CZ2 3.52Å; Y347-W360 CarbonylContact C-O 3.52Å; Y347-W360 VanDerWaalsContact CA-O 3.28Å; Y347-W360 WeakPolarHBondContact CA-O 3.19Å; L348-W360 HydrophobicContact CB-CB 4.42Å; L348-W360 HydrophobicContact CD2-CG 4.46Å; L348-W360 PolarHBondContact N-O 2.83Å; L348-W360 VanDerWaalsContact O-CD1 3.3Å; L348-W360 PolarHBondContact O-N 2.97Å; S350-W360 PolarHBondContact OG-NE1 3.18Å; Y358-W360 VanDerWaalsContact CB-NE1 3.32Å; Y358-W360 HydrophobicContact CD1-CZ2 4.19Å; Y358-W360 AromaticContact CG-CZ2 3.89Å; Y358-W360 HydrophobicContact CG-CZ2 3.89Å; Y358-W360 VanDerWaalsContact O-CD1 3.31Å; Y358-W360 PolarHBondContact O-NE1 3.06Å; W360-Y362 PolarHBondContact O-N 3.27Å
361	R	91.7	Very high	79.2	Confident	113 Å²	113	54.4 Å²	54.4	43%	0.426	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	97.8	154.6	-166.6	171.7	-172.7	171.2	5.9	108.4	D15 I17 K328 D346	D15-R361 PolarHBondContact O-N 2.78Å; I17-R361 HydrophobicContact CD1-CB 4.06Å; K328-R361 PolarHBondContact NZ-O 2.75Å; D346-R361 IonicContact OD2-NH2 2.92Å
362	Y	88.7	Confident	76.5	Confident	3 Å²	3	61.9 Å²	61.9	1%	0.012	28%	0.281	C	S	.	.			trans	-88	-37	-176.3	82.9	-80	0	0	0	111.4	H303 M306 I308 L318 K328 I343 G345 D346 L348 W360	H303-Y362 PolarHBondContact CD2-OH 3.25Å; H303-Y362 VanDerWaalsContact CD2-OH 3.29Å; H303-Y362 PolarHBondContact NE2-OH 3.06Å; M306-Y362 HydrophobicContact CE-CE2 3.85Å; M306-Y362 HydrophobicContact SD-CE2 4.25Å; I308-Y362 HydrophobicContact CD1-CD2 4.15Å; I308-Y362 HydrophobicContact CD1-CE2 3.9Å; L318-Y362 HydrophobicContact CD2-CD2 3.64Å; L318-Y362 HydrophobicContact CD2-CG 4.41Å; L318-Y362 HydrophobicContact CG-CD2 4.38Å; K328-Y362 WeakPolarHBondContact CD-O 3.33Å; K328-Y362 PolarHBondContact NZ-O 3.12Å; I343-Y362 HydrophobicContact CG1-CE1 4.49Å; I343-Y362 HydrophobicContact CG2-CE1 3.63Å; I343-Y362 VanDerWaalsContact CG2-OH 3.25Å; I343-Y362 WeakPolarHBondContact CG2-OH 3.42Å; G345-Y362 WeakPolarHBondContact O-CE1 3.31Å; G345-Y362 PolarHBondContact O-OH 3.27Å; D346-Y362 VanDerWaalsContact C-CE1 3.44Å; D346-Y362 WeakPolarHBondContact O-CD1 3.35Å; D346-Y362 PolarHBondContact O-N 2.96Å; D346-Y362 VanDerWaalsContact O-N 3.13Å; L348-Y362 HydrophobicContact CB-CD1 3.73Å; L348-Y362 HydrophobicContact CB-CG 4Å; L348-Y362 HydrophobicContact CD1-CG 4.42Å; W360-Y362 PolarHBondContact O-N 3.27Å
363	F	81.3	Confident	73.7	Confident	37 Å²	37	69 Å²	69	16%	0.162	32%	0.32	C	S	.	.			trans	-95.2	134.5	-177.1	-168.5	-106.3	0	0	0	112	M306 D346 P365 M368	M306-F363 HydrophobicContact CE-CD2 3.77Å; M306-F363 HydrophobicContact CE-CE2 4.03Å; M306-F363 HydrophobicContact SD-CD2 4.42Å; D346-F363 HydrophobicContact CB-CB 4.49Å; F363-P365 HydrophobicContact CD1-CG 4.35Å; F363-P365 HydrophobicContact CE1-CB 4.48Å; F363-P365 HydrophobicContact CE1-CG 3.88Å; F363-M368 HydrophobicContact CD2-CE 3.99Å; F363-M368 HydrophobicContact CD2-CG 4.16Å; F363-M368 HydrophobicContact CD2-SD 4.06Å; F363-M368 HydrophobicContact CE2-CB 4.41Å; F363-M368 HydrophobicContact CE2-CE 4.12Å; F363-M368 HydrophobicContact CE2-CG 3.63Å; F363-M368 HydrophobicContact CE2-SD 3.55Å; F363-M368 VanDerWaalsContact CE2-SD 3.55Å; F363-M368 HydrophobicContact CZ-CG 4.19Å
364	N	69.1	Low	70.9	Confident	48 Å²	48	76.2 Å²	76.2	26%	0.257	35%	0.351	S	S	.	.			trans	-138.6	115.3	167.7	-176.3	-12	0	0	0	108.8	E366 I367 M368	N364-E366 PolarHBondContact O-N 3.43Å; N364-E366 VanDerWaalsContact O-N 3.16Å; N364-E366 PolarHBondContact OD1-N 2.94Å; N364-I367 HydrophobicContact CB-CD1 4.05Å; N364-I367 HydrophobicContact CB-CG1 4.17Å; N364-I367 PolarHBondContact O-N 3Å; N364-I367 VanDerWaalsContact O-N 3.14Å; N364-M368 PolarHBondContact O-N 3.16Å
365	P	65	Low	69.6	Low	55 Å²	55	78.1 Å²	78.1	36%	0.357	36%	0.358	S	S	.	.	H	α-helix	trans	-54.2	-33.6	179.6	-23.6	30.1	0	0	0	114.1	F363 I367 M368 R369	F363-P365 HydrophobicContact CD1-CG 4.35Å; F363-P365 HydrophobicContact CE1-CB 4.48Å; F363-P365 HydrophobicContact CE1-CG 3.88Å; P365-I367 VanDerWaalsContact C-N 3.32Å; P365-I367 PolarHBondContact O-N 2.86Å; P365-M368 PolarHBondContact O-N 2.98Å; P365-R369 PolarHBondContact O-N 3.45Å
366	E	54.8	Low	68.1	Low	153 Å²	153	82.2 Å²	82.2	72%	0.715	38%	0.377	S	S	*	.	H	α-helix	trans	-68.6	-31	-177.4	-64.7	-174.7	166.4	0	0	112.9	N364	N364-E366 PolarHBondContact O-N 3.43Å; N364-E366 VanDerWaalsContact O-N 3.16Å; N364-E366 PolarHBondContact OD1-N 2.94Å
367	I	53.1	Low	66.5	Low	92 Å²	92	83.7 Å²	83.7	47%	0.472	38%	0.384	S	S	.	.	H	α-helix	trans	-78.2	-34	176.8	-60.1	177.1	0	0	0	109.8	N364 P365	N364-I367 HydrophobicContact CB-CD1 4.05Å; N364-I367 HydrophobicContact CB-CG1 4.17Å; N364-I367 PolarHBondContact O-N 3Å; N364-I367 VanDerWaalsContact O-N 3.14Å; P365-I367 VanDerWaalsContact C-N 3.32Å; P365-I367 PolarHBondContact O-N 2.86Å
368	M	52.9	Low	64.7	Low	42 Å²	42	88.6 Å²	88.6	21%	0.207	41%	0.407	C	S	.	.	H	α-helix	trans	-79.3	-37.1	-175.7	-63.9	-108.2	161.4	0	0	113	M306 L327 F363 N364 P365 R370 N371	M306-M368 HydrophobicContact CE-CE 4.22Å; M306-M368 HydrophobicContact CG-CE 4.03Å; M306-M368 HydrophobicContact CG-SD 4.41Å; M306-M368 HydrophobicContact SD-CE 3.21Å; M306-M368 WeakPolarHBondContact SD-CE 3.32Å; M306-M368 HydrophobicContact SD-SD 4.05Å; L327-M368 HydrophobicContact CD1-CE 3.93Å; F363-M368 HydrophobicContact CD2-CE 3.99Å; F363-M368 HydrophobicContact CD2-CG 4.16Å; F363-M368 HydrophobicContact CD2-SD 4.06Å; F363-M368 HydrophobicContact CE2-CB 4.41Å; F363-M368 HydrophobicContact CE2-CE 4.12Å; F363-M368 HydrophobicContact CE2-CG 3.63Å; F363-M368 HydrophobicContact CE2-SD 3.55Å; F363-M368 VanDerWaalsContact CE2-SD 3.55Å; F363-M368 HydrophobicContact CZ-CG 4.19Å; N364-M368 PolarHBondContact O-N 3.16Å; P365-M368 PolarHBondContact O-N 2.98Å; M368-R370 PolarHBondContact O-N 2.93Å; M368-N371 PolarHBondContact O-N 2.99Å; M368-N371 VanDerWaalsContact O-N 3.09Å
369	R	49.5	Very low	62.7	Low	177 Å²	177	94.1 Å²	94.1	67%	0.668	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-65.4	-19.5	177.7	-75.8	-173.3	-172.4	-175.8	3.7	114.4	P365 N371 E372	P365-R369 PolarHBondContact O-N 3.45Å; R369-N371 PolarHBondContact O-N 2.95Å; R369-E372 PolarHBondContact O-N 2.96Å
370	R	43.8	Very low	60.5	Low	194 Å²	194	100.3 Å²	100.3	73%	0.732	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-67.1	-25.2	173.3	-79.3	-173.4	176.3	-177.3	-0.3	112.5	M368	M368-R370 PolarHBondContact O-N 2.93Å
371	N	44	Very low	58.1	Low	64 Å²	64	107.5 Å²	107.5	34%	0.342	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-90.1	-8.5	179.4	-68.9	5.3	0	0	0	114	L327 M368 R369	L327-N371 WeakPolarHBondContact CD2-ND2 3.38Å; M368-N371 PolarHBondContact O-N 2.99Å; M368-N371 VanDerWaalsContact O-N 3.09Å; R369-N371 PolarHBondContact O-N 2.95Å
372	E	41.3	Very low	55.5	Low	157 Å²	157	107.1 Å²	107.1	73%	0.734	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-17	173.6	-69.2	-174.5	153.8	0	0	112.6	R369	R369-E372 PolarHBondContact O-N 2.96Å
373	N	40.5	Very low	52.8	Low	150 Å²	150	115.8 Å²	115.8	80%	0.802	54%	0.54	S	S	*	.			trans	-108	6.3	-177.6	-70.9	-27.4	0	0	0	113.7
374	E	37.8	Very low	50.2	Low	220 Å²	220	122.9 Å²	122.9	100%	1.028	57%	0.574	S	S	*	*			trans	-113.2	0	167.6	-69	-176.1	179.5	0	0	109

Retrieved 374 of 374 residues in 134.3 ms (Link to these results)

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