A0A077Z7B1_TRITR Loading...

Carbonic anhydrase protein 10

AlphaFold DB , UniProt , Accession A0A077Z7B1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 249 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	29.9	Very low	34.6	Very low	245 Å²	245	133.4 Å²	133.4	100%	1.207	74%	0.741	S	S	*	*				0	91.9	0	-155.8	-176.9	-67.1	0	0	106.1
2	Q	24.1	Very low	36.7	Very low	193 Å²	193	124.1 Å²	124.1	90%	0.902	70%	0.698	S	S	*	*			trans	-131.9	105.2	-178.9	-156.3	102.5	10.3	0	0	106.1	S4	Q2-S4 PolarHBondContact O-N 3.49Å
3	A	25.4	Very low	39.1	Very low	93 Å²	93	120.5 Å²	120.5	77%	0.769	68%	0.683	S	S	*	*			trans	-73.7	118.3	178.1	0	0	0	0	0	109	I5	A3-I5 PolarHBondContact O-N 3.36Å
4	S	26	Very low	41.2	Very low	112 Å²	112	117.8 Å²	117.8	78%	0.783	68%	0.675	S	S	*	*			trans	-75.5	105.4	161.6	54.8	0	0	0	0	107.6	Q2 D6	Q2-S4 PolarHBondContact O-N 3.49Å; S4-D6 PolarHBondContact O-N 3.09Å
5	I	29.9	Very low	43.8	Very low	147 Å²	147	114.3 Å²	114.3	75%	0.754	65%	0.649	S	S	*	*			trans	-67.7	118	170.8	-63.3	168.2	0	0	0	107	A3 A7	A3-I5 PolarHBondContact O-N 3.36Å; I5-A7 PolarHBondContact O-N 2.98Å
6	D	28.2	Very low	46.1	Very low	118 Å²	118	108.9 Å²	108.9	63%	0.631	62%	0.615	S	S	*	*			trans	-57.4	98	174.8	-90.4	-33.7	0	0	0	110.7	S4 S8 F9	S4-D6 PolarHBondContact O-N 3.09Å; D6-S8 PolarHBondContact O-N 3.42Å; D6-F9 PolarHBondContact O-N 2.63Å
7	A	32.7	Very low	47.9	Very low	80 Å²	80	103.2 Å²	103.2	66%	0.661	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-2.6	175.2	0	0	0	0	0	113.7	I5 S11	I5-A7 PolarHBondContact O-N 2.98Å; A7-S11 PolarHBondContact O-OG 3.02Å
8	S	42.1	Very low	49.8	Very low	84 Å²	84	105.3 Å²	105.3	59%	0.587	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-23.6	176.3	56	0	0	0	0	113.5	D6 Y10	D6-S8 PolarHBondContact O-N 3.42Å; S8-Y10 PolarHBondContact O-N 3.08Å
9	F	39.9	Very low	51.5	Low	152 Å²	152	105.1 Å²	105.1	67%	0.667	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-28.3	-171.6	-148.2	-94.2	0	0	0	113.9	D6 F15	D6-F9 PolarHBondContact O-N 2.63Å; F9-F15 VanDerWaalsContact O-CE2 3.26Å; F9-F15 WeakPolarHBondContact O-CE2 3.1Å
10	Y	44.6	Very low	53.2	Low	166 Å²	166	102.6 Å²	102.6	65%	0.651	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	2.9	-177.3	-65.3	-76.6	0	0	0	114.5	S8 F15	S8-Y10 PolarHBondContact O-N 3.08Å; Y10-F15 WeakPolarHBondContact O-CB 2.99Å
11	S	57.6	Low	54.7	Low	77 Å²	77	101.5 Å²	101.5	54%	0.538	59%	0.585	S	S	.	*	S	Bend	trans	-116.3	2.7	-170.3	-51.2	0	0	0	0	113.7	A7 W16	A7-S11 PolarHBondContact O-OG 3.02Å; S11-W16 PolarHBondContact O-NE1 2.86Å
12	G	60.4	Low	57.4	Low	22 Å²	22	95.6 Å²	95.6	23%	0.227	56%	0.558	C	S	.	*	S	Bend	trans	-74.1	167.5	-177.8	0	0	0	0	0	114	S14 F15 W16	G12-S14 PolarHBondContact O-N 2.86Å; G12-S14 VanDerWaalsContact O-N 3.1Å; G12-F15 PolarHBondContact O-N 3.01Å; G12-W16 PolarHBondContact O-N 2.86Å; G12-W16 PolarHBondContact O-NE1 2.77Å
13	P	67.2	Low	60.5	Low	78 Å²	78	89.7 Å²	89.7	51%	0.506	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-51	-36.7	-176.3	-28.9	35.2	0	0	0	115.3	F15 W16	P13-F15 PolarHBondContact O-N 2.9Å; P13-W16 HydrophobicContact CB-CD2 4.28Å; P13-W16 HydrophobicContact CB-CE3 4.23Å; P13-W16 HydrophobicContact CB-CH2 4.26Å; P13-W16 HydrophobicContact CB-CZ2 4.29Å; P13-W16 HydrophobicContact CB-CZ3 4.22Å; P13-W16 HydrophobicContact CG-CH2 3.97Å; P13-W16 HydrophobicContact CG-CZ2 3.84Å; P13-W16 HydrophobicContact CG-CZ3 4.42Å; P13-W16 WeakPolarHBondContact O-CB 3.35Å; P13-W16 PolarHBondContact O-N 2.77Å
14	S	69.2	Low	63.6	Low	82 Å²	82	90.8 Å²	90.8	57%	0.573	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-62	-24.6	177.2	50	0	0	0	0	114.1	G12	G12-S14 PolarHBondContact O-N 2.86Å; G12-S14 VanDerWaalsContact O-N 3.1Å
15	F	79.2	Confident	66.6	Low	65 Å²	65	88 Å²	88	29%	0.285	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-100.4	-9.1	-179.3	-62	-82	0	0	0	113.1	F9 Y10 G12 P13 G17 L18 V19	F9-F15 VanDerWaalsContact O-CE2 3.26Å; F9-F15 WeakPolarHBondContact O-CE2 3.1Å; Y10-F15 WeakPolarHBondContact O-CB 2.99Å; G12-F15 PolarHBondContact O-N 3.01Å; P13-F15 PolarHBondContact O-N 2.9Å; F15-G17 PolarHBondContact O-N 3.38Å; F15-L18 HydrophobicContact CD1-CD1 4.05Å; F15-L18 WeakPolarHBondContact O-CA 3.21Å; F15-L18 WeakPolarHBondContact O-CB 3.47Å; F15-L18 PolarHBondContact O-N 2.8Å; F15-V19 PolarHBondContact O-N 2.85Å
16	W	81.2	Confident	69.4	Low	28 Å²	28	81.8 Å²	81.8	11%	0.106	46%	0.46	C	S	.	.	H	α-helix	trans	-56.8	-38.1	-177	-71.1	-3.3	0	0	0	112.9	S11 G12 P13 L18 V19 N20 W23 C26 P212	S11-W16 PolarHBondContact O-NE1 2.86Å; G12-W16 PolarHBondContact O-N 2.86Å; G12-W16 PolarHBondContact O-NE1 2.77Å; P13-W16 HydrophobicContact CB-CD2 4.28Å; P13-W16 HydrophobicContact CB-CE3 4.23Å; P13-W16 HydrophobicContact CB-CH2 4.26Å; P13-W16 HydrophobicContact CB-CZ2 4.29Å; P13-W16 HydrophobicContact CB-CZ3 4.22Å; P13-W16 HydrophobicContact CG-CH2 3.97Å; P13-W16 HydrophobicContact CG-CZ2 3.84Å; P13-W16 HydrophobicContact CG-CZ3 4.42Å; P13-W16 WeakPolarHBondContact O-CB 3.35Å; P13-W16 PolarHBondContact O-N 2.77Å; W16-L18 PolarHBondContact O-N 3.42Å; W16-V19 PolarHBondContact O-N 3.06Å; W16-V19 VanDerWaalsContact O-N 3.08Å; W16-N20 PolarHBondContact O-N 2.81Å; W16-N20 VanDerWaalsContact O-N 3.15Å; W16-W23 HydrophobicContact CB-CE3 3.93Å; W16-W23 HydrophobicContact CG-CE3 4.4Å; W16-C26 HydrophobicContact CB-CB 4Å; W16-P212 HydrophobicContact CD2-CG 4.19Å; W16-P212 HydrophobicContact CE3-CB 4.28Å; W16-P212 HydrophobicContact CE3-CG 4.01Å; W16-P212 HydrophobicContact CH2-CG 4.24Å; W16-P212 HydrophobicContact CZ2-CG 4.4Å; W16-P212 HydrophobicContact CZ3-CG 4.05Å
17	G	76.1	Confident	72.2	Confident	13 Å²	13	79.2 Å²	79.2	13%	0.134	45%	0.451	C	S	.	.	H	α-helix	trans	-66.9	-15.8	176.6	0	0	0	0	0	114.8	F15 W23	F15-G17 PolarHBondContact O-N 3.38Å; G17-W23 WeakPolarHBondContact CA-O 3.3Å
18	L	81.8	Confident	74.8	Confident	140 Å²	140	82.8 Å²	82.8	73%	0.733	45%	0.452	S	S	*	.	H	α-helix	trans	-89.6	-25.9	172.4	-58.5	178.2	0	0	0	112	F15 W16	F15-L18 HydrophobicContact CD1-CD1 4.05Å; F15-L18 WeakPolarHBondContact O-CA 3.21Å; F15-L18 WeakPolarHBondContact O-CB 3.47Å; F15-L18 PolarHBondContact O-N 2.8Å; W16-L18 PolarHBondContact O-N 3.42Å
19	V	83.5	Confident	77.1	Confident	102 Å²	102	79.9 Å²	79.9	62%	0.618	44%	0.435	S	S	*	.	H	α-helix	trans	-77.2	-38.7	179.8	177.7	0	0	0	0	111.3	F15 W16 W23	F15-V19 PolarHBondContact O-N 2.85Å; W16-V19 PolarHBondContact O-N 3.06Å; W16-V19 VanDerWaalsContact O-N 3.08Å; V19-W23 HydrophobicContact CB-CZ3 4.49Å; V19-W23 HydrophobicContact CG1-CZ3 4.24Å
20	N	84	Confident	79.6	Confident	55 Å²	55	80.8 Å²	80.8	29%	0.294	44%	0.441	S	S	.	.			trans	-141.5	126.8	178.6	-173.3	-16.9	0	0	0	110.6	W16 D22 W23	W16-N20 PolarHBondContact O-N 2.81Å; W16-N20 VanDerWaalsContact O-N 3.15Å; N20-D22 PolarHBondContact O-N 2.87Å; N20-D22 WeakPolarHBondContact OD1-CB 3.44Å; N20-D22 PolarHBondContact OD1-N 2.77Å; N20-W23 HydrophobicContact CB-CB 4.46Å; N20-W23 HydrophobicContact CB-CD2 3.6Å; N20-W23 HydrophobicContact CB-CE3 3.72Å; N20-W23 HydrophobicContact CB-CG 3.94Å; N20-W23 HydrophobicContact CB-CZ2 4.42Å; N20-W23 HydrophobicContact CB-CZ3 4.21Å; N20-W23 WeakPolarHBondContact O-CA 3.46Å; N20-W23 WeakPolarHBondContact O-CB 3.2Å; N20-W23 PolarHBondContact O-N 3.5Å
21	A	86	Confident	81.9	Confident	79 Å²	79	78 Å²	78	65%	0.653	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-59.1	-29.5	178.9	0	0	0	0	0	113	W23 K24	A21-W23 PolarHBondContact O-N 3.43Å; A21-K24 WeakPolarHBondContact O-CB 3.29Å; A21-K24 PolarHBondContact O-N 3.14Å
22	D	86.4	Confident	83.7	Confident	121 Å²	121	76.9 Å²	76.9	65%	0.647	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-66.4	-18.2	174.9	-69.8	-27	0	0	0	112.6	N20	N20-D22 PolarHBondContact O-N 2.87Å; N20-D22 WeakPolarHBondContact OD1-CB 3.44Å; N20-D22 PolarHBondContact OD1-N 2.77Å
23	W	89	Confident	85.4	Confident	70 Å²	70	76.3 Å²	76.3	27%	0.265	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-99.6	18.1	179.7	-54.4	-14	0	0	0	112.6	W16 G17 V19 N20 A21 M25 C26 P212 G213	W16-W23 HydrophobicContact CB-CE3 3.93Å; W16-W23 HydrophobicContact CG-CE3 4.4Å; G17-W23 WeakPolarHBondContact CA-O 3.3Å; V19-W23 HydrophobicContact CB-CZ3 4.49Å; V19-W23 HydrophobicContact CG1-CZ3 4.24Å; N20-W23 HydrophobicContact CB-CB 4.46Å; N20-W23 HydrophobicContact CB-CD2 3.6Å; N20-W23 HydrophobicContact CB-CE3 3.72Å; N20-W23 HydrophobicContact CB-CG 3.94Å; N20-W23 HydrophobicContact CB-CZ2 4.42Å; N20-W23 HydrophobicContact CB-CZ3 4.21Å; N20-W23 WeakPolarHBondContact O-CA 3.46Å; N20-W23 WeakPolarHBondContact O-CB 3.2Å; N20-W23 PolarHBondContact O-N 3.5Å; A21-W23 PolarHBondContact O-N 3.43Å; W23-M25 PolarHBondContact O-N 2.75Å; W23-C26 VanDerWaalsContact O-CB 3.26Å; W23-C26 WeakPolarHBondContact O-CB 3.33Å; W23-C26 PolarHBondContact O-N 2.82Å; W23-C26 PolarHBondContact O-SG 3.29Å; W23-C26 VanDerWaalsContact O-SG 3.33Å; W23-P212 HydrophobicContact CD2-CB 3.6Å; W23-P212 HydrophobicContact CE3-CB 3.89Å; W23-P212 HydrophobicContact CG-CB 4.21Å; W23-P212 HydrophobicContact CH2-CB 3.81Å; W23-P212 HydrophobicContact CH2-CG 4.25Å; W23-P212 HydrophobicContact CZ2-CB 3.52Å; W23-P212 HydrophobicContact CZ2-CG 4.36Å; W23-P212 HydrophobicContact CZ3-CB 3.99Å; W23-P212 HydrophobicContact CZ3-CG 4.41Å; W23-G213 VanDerWaalsContact CD1-N 3.32Å
24	K	89.7	Confident	86.7	Confident	116 Å²	116	75.1 Å²	75.1	50%	0.504	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-27.9	179.1	62.9	177.3	-179.9	-177	0	114.5	A21 C26 S27 K28	A21-K24 WeakPolarHBondContact O-CB 3.29Å; A21-K24 PolarHBondContact O-N 3.14Å; K24-C26 PolarHBondContact O-N 3.34Å; K24-S27 PolarHBondContact O-N 3.25Å; K24-S27 PolarHBondContact O-OG 3.38Å; K24-K28 WeakPolarHBondContact O-CB 3.34Å; K24-K28 PolarHBondContact O-N 2.82Å
25	M	90.3	Very high	88	Confident	53 Å²	53	74.1 Å²	74.1	26%	0.261	39%	0.392	S	S	.	.	H	α-helix	trans	-67.9	-25.1	178.9	-62.4	-70.2	94.1	0	0	112	W23 S27 K28 G29 Q32 C214	W23-M25 PolarHBondContact O-N 2.75Å; M25-S27 PolarHBondContact O-N 3.29Å; M25-K28 HydrophobicContact CE-CB 4.45Å; M25-G29 WeakPolarHBondContact O-CA 3.34Å; M25-G29 PolarHBondContact O-N 2.77Å; M25-Q32 PolarHBondContact O-NE2 2.69Å; M25-C214 HydrophobicContact CB-CB 4.47Å; M25-C214 VanDerWaalsContact CB-O 3.28Å; M25-C214 WeakPolarHBondContact CB-O 3.36Å
26	C	88.6	Confident	88.9	Confident	16 Å²	16	73.3 Å²	73.3	11%	0.108	39%	0.391	C	S	.	.	H	α-helix	trans	-64.2	-23	176.5	-54.8	0	0	0	0	113	W16 W23 K24 C214	W16-C26 HydrophobicContact CB-CB 4Å; W23-C26 VanDerWaalsContact O-CB 3.26Å; W23-C26 WeakPolarHBondContact O-CB 3.33Å; W23-C26 PolarHBondContact O-N 2.82Å; W23-C26 PolarHBondContact O-SG 3.29Å; W23-C26 VanDerWaalsContact O-SG 3.33Å; K24-C26 PolarHBondContact O-N 3.34Å; C26-C214 WeakPolarHBondContact CA-SG 3.45Å; C26-C214 HydrophobicContact CB-CB 3.81Å; C26-C214 WeakPolarHBondContact CB-SG 3.38Å; C26-C214 WeakPolarHBondContact SG-CB 3.3Å; C26-C214 CovalentContact SG-SG 2.03Å; C26-C214 PolarHBondContact SG-SG 3.22Å
27	S	86.4	Confident	89.6	Confident	64 Å²	64	72.5 Å²	72.5	45%	0.448	39%	0.389	S	S	.	.	H	α-helix	trans	-112.9	-22.3	177.3	59.2	0	0	0	0	114.2	K24 M25	K24-S27 PolarHBondContact O-N 3.25Å; K24-S27 PolarHBondContact O-OG 3.38Å; M25-S27 PolarHBondContact O-N 3.29Å
28	K	88.6	Confident	90.6	Very high	156 Å²	156	74.2 Å²	74.2	68%	0.678	40%	0.395	S	S	*	.	H	α-helix	trans	-109.3	-9.3	-177	-63.4	-170.1	175	-173.8	0	114.6	K24 M25	K24-K28 WeakPolarHBondContact O-CB 3.34Å; K24-K28 PolarHBondContact O-N 2.82Å; M25-K28 HydrophobicContact CE-CB 4.45Å
29	G	89.2	Confident	91.2	Very high	22 Å²	22	70.7 Å²	70.7	23%	0.227	38%	0.38	C	S	.	.			trans	-64	151.7	178.9	0	0	0	0	0	112.3	M25 E216	M25-G29 WeakPolarHBondContact O-CA 3.34Å; M25-G29 PolarHBondContact O-N 2.77Å; G29-E216 WeakPolarHBondContact CA-OE1 3.17Å
30	Q	92.8	Very high	91.7	Very high	171 Å²	171	71.4 Å²	71.4	80%	0.799	39%	0.385	S	S	*	.	S	Bend	trans	-108.1	-18.9	178.3	-63.3	-177.8	6.9	0	0	112.9	E216	Q30-E216 PolarHBondContact N-OE1 3.37Å
31	H	93.5	Very high	92.3	Very high	107 Å²	107	75.1 Å²	75.1	50%	0.495	40%	0.404	S	S	.	.	S	Bend	trans	-122.6	57.3	-177.4	-54.3	92.5	0	0	0	109.2	G207 S208 E216	H31-G207 CarbonylContact O-C 3.24Å; H31-G207 VanDerWaalsContact O-C 3.24Å; H31-G207 VanDerWaalsContact O-CA 3.26Å; H31-G207 WeakPolarHBondContact O-CA 3.25Å; H31-S208 PolarHBondContact O-N 2.85Å; H31-E216 PolarHBondContact N-OE1 3.5Å; H31-E216 IonicContact ND1-OE2 3.56Å
32	Q	94.2	Very high	92.7	Very high	54 Å²	54	75.2 Å²	75.2	25%	0.252	39%	0.393	S	S	.	.			trans	-82	144.1	-178.1	-68.8	-62.3	-61.1	0	0	112	M25 S208 C214 E216	M25-Q32 PolarHBondContact O-NE2 2.69Å; Q32-S208 WeakPolarHBondContact CA-OG 3.47Å; Q32-S208 PolarHBondContact OE1-OG 3.37Å; Q32-S208 VanDerWaalsContact OE1-OG 3.14Å; Q32-C214 PolarHBondContact NE2-O 3.15Å; Q32-C214 VanDerWaalsContact NE2-O 3.11Å; Q32-E216 PolarHBondContact NE2-OE1 2.81Å
33	S	96.1	Very high	93.2	Very high	11 Å²	11	77.5 Å²	77.5	8%	0.077	40%	0.404	C	S	.	.	S	Bend	trans	-110.8	157	170.7	-62.9	0	0	0	0	109.9	Y205 G207 S208 W220	S33-Y205 WeakPolarHBondContact CB-OH 3.46Å; S33-Y205 WeakPolarHBondContact OG-CE2 3.23Å; S33-Y205 PolarHBondContact OG-OH 3.44Å; S33-G207 WeakPolarHBondContact OG-CA 3.38Å; S33-S208 VanDerWaalsContact CB-O 3.31Å; S33-S208 WeakPolarHBondContact CB-O 3.45Å; S33-S208 PolarHBondContact N-OG 3.06Å; S33-S208 PolarHBondContact OG-N 3.14Å; S33-S208 PolarHBondContact OG-O 2.66Å; S33-W220 PolarHBondContact OG-NE1 3.23Å
34	P	96	Very high	93.4	Very high	52 Å²	52	83.8 Å²	83.8	34%	0.338	43%	0.43	S	S	.	.			cis	-75.1	170.9	-2.6	36.4	-41.2	0	0	0	112.8	E111 T210	P34-E111 HydrophobicContact CB-CB 3.82Å; P34-E111 VanDerWaalsContact CB-O 3.23Å; P34-E111 WeakPolarHBondContact CB-O 3.41Å; P34-E111 HydrophobicContact CG-CB 3.8Å; P34-E111 WeakPolarHBondContact CG-O 3.36Å; P34-T210 HydrophobicContact CB-CG2 4.45Å
35	I	96.1	Very high	93.6	Very high	62 Å²	62	81.7 Å²	81.7	32%	0.318	42%	0.424	S	S	.	.			trans	-123.4	160.6	173	65.7	172.8	0	0	0	111.3	I37 H112 A113 Y205	I35-I37 HydrophobicContact CD1-CG1 4.4Å; I35-I37 HydrophobicContact CG1-CG1 4.22Å; I35-H112 PolarHBondContact O-CD2 3.04Å; I35-A113 PolarHBondContact O-N 2.74Å; I35-Y205 HydrophobicContact CD1-CD1 3.87Å; I35-Y205 HydrophobicContact CD1-CD2 3.97Å; I35-Y205 HydrophobicContact CD1-CE1 3.8Å; I35-Y205 HydrophobicContact CD1-CE2 3.93Å; I35-Y205 HydrophobicContact CD1-CG 3.96Å; I35-Y205 HydrophobicContact CG1-CE1 3.98Å; I35-Y205 HydrophobicContact CG1-CE2 4.25Å; I35-Y205 HydrophobicContact CG2-CE2 4.14Å
36	N	96.9	Very high	93.7	Very high	47 Å²	47	83.7 Å²	83.7	25%	0.251	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	127.4	158.7	179.3	42.8	0	0	0	109.2	A113 D115 E116	N36-A113 HydrophobicContact CB-CB 4.23Å; N36-A113 VanDerWaalsContact OD1-C 3.26Å; N36-A113 WeakPolarHBondContact OD1-CB 3.38Å; N36-A113 PolarHBondContact OD1-O 3.26Å; N36-D115 PolarHBondContact OD1-N 3.06Å; N36-E116 PolarHBondContact ND2-N 3.09Å; N36-E116 PolarHBondContact ND2-OE1 3.13Å; N36-E116 PolarHBondContact OD1-N 3.3Å
37	I	96.7	Very high	93.8	Very high	12 Å²	12	89.7 Å²	89.7	6%	0.062	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	110.5	176.1	-58.8	170.9	0	0	0	107.3	I35 P39 L42 A113 I114 D115 I222	I35-I37 HydrophobicContact CD1-CG1 4.4Å; I35-I37 HydrophobicContact CG1-CG1 4.22Å; I37-P39 WeakPolarHBondContact O-CD 3.49Å; I37-L42 HydrophobicContact CG2-CD1 4.5Å; I37-L42 HydrophobicContact CG2-CD2 4.03Å; I37-A113 PolarHBondContact N-O 3.01Å; I37-I114 WeakPolarHBondContact O-CA 3.38Å; I37-D115 PolarHBondContact O-N 3.43Å; I37-I222 HydrophobicContact CD1-CB 3.87Å; I37-I222 HydrophobicContact CD1-CG1 3.76Å; I37-I222 HydrophobicContact CD1-CG2 3.59Å
38	N	96.5	Very high	94.1	Very high	49 Å²	49	89.1 Å²	89.1	26%	0.262	46%	0.462	S	S	.	.			trans	-90.9	111.6	172.6	-174.3	-29.1	0	0	0	109.5	T40 L41	N38-T40 PolarHBondContact O-N 2.92Å; N38-T40 VanDerWaalsContact O-N 3.11Å; N38-T40 WeakPolarHBondContact OD1-CB 3.08Å; N38-T40 PolarHBondContact OD1-N 3.18Å; N38-T40 PolarHBondContact OD1-OG1 3.06Å; N38-L41 HydrophobicContact CB-CB 4.46Å; N38-L41 HydrophobicContact CB-CD1 4.04Å; N38-L41 HydrophobicContact CB-CG 4.12Å; N38-L41 PolarHBondContact O-N 3.4Å
39	P	93.9	Very high	94.3	Very high	66 Å²	66	87.3 Å²	87.3	43%	0.429	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-58.2	-27.1	-177.7	-25.7	36.4	0	0	0	114.1	I37 L41 L42 I114	I37-P39 WeakPolarHBondContact O-CD 3.49Å; P39-L41 VanDerWaalsContact C-N 3.27Å; P39-L41 PolarHBondContact O-N 3.1Å; P39-L42 HydrophobicContact CB-CD1 4.45Å; P39-L42 PolarHBondContact O-N 2.87Å; P39-I114 HydrophobicContact CG-CG2 4.15Å
40	T	95.2	Very high	94.4	Very high	116 Å²	116	91.2 Å²	91.2	71%	0.712	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-72.4	-19.7	-179.6	69.2	0	0	0	0	113.5	N38	N38-T40 PolarHBondContact O-N 2.92Å; N38-T40 VanDerWaalsContact O-N 3.11Å; N38-T40 WeakPolarHBondContact OD1-CB 3.08Å; N38-T40 PolarHBondContact OD1-N 3.18Å; N38-T40 PolarHBondContact OD1-OG1 3.06Å
41	L	95.6	Very high	94.4	Very high	133 Å²	133	84.7 Å²	84.7	70%	0.696	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-97.4	-1.1	179.5	-58.6	-178.8	0	0	0	112.8	N38 P39 L43	N38-L41 HydrophobicContact CB-CB 4.46Å; N38-L41 HydrophobicContact CB-CD1 4.04Å; N38-L41 HydrophobicContact CB-CG 4.12Å; N38-L41 PolarHBondContact O-N 3.4Å; P39-L41 VanDerWaalsContact C-N 3.27Å; P39-L41 PolarHBondContact O-N 3.1Å; L41-L43 PolarHBondContact O-N 3.48Å
42	L	95.4	Very high	94.3	Very high	82 Å²	82	83.4 Å²	83.4	43%	0.429	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-70.6	131.4	-178.3	-65.7	178.6	0	0	0	111.1	I37 P39 V203	I37-L42 HydrophobicContact CG2-CD1 4.5Å; I37-L42 HydrophobicContact CG2-CD2 4.03Å; P39-L42 HydrophobicContact CB-CD1 4.45Å; P39-L42 PolarHBondContact O-N 2.87Å; L42-V203 HydrophobicContact CD1-CG2 3.78Å; L42-V203 HydrophobicContact CD2-CB 4.45Å; L42-V203 HydrophobicContact CD2-CG1 3.65Å; L42-V203 HydrophobicContact CD2-CG2 3.89Å
43	L	95.7	Very high	94.2	Very high	168 Å²	168	82 Å²	82	88%	0.88	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-101.7	129.3	173.5	-60.7	177.5	0	0	0	109.5	L41 D45	L41-L43 PolarHBondContact O-N 3.48Å; L43-D45 PolarHBondContact O-N 3.23Å
44	Y	94.8	Very high	93.9	Very high	203 Å²	203	83.2 Å²	83.2	80%	0.796	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-78.2	120.9	172.6	178	-103.7	0	0	0	109.9	P46	Y44-P46 HydrophobicContact CE1-CB 3.89Å
45	D	93.7	Very high	93.1	Very high	72 Å²	72	89.8 Å²	89.8	39%	0.385	47%	0.472	S	S	.	.			trans	-106.1	109.7	173.9	-176.9	-4.9	0	0	0	110.3	L43 L47 L48	L43-D45 PolarHBondContact O-N 3.23Å; D45-L47 PolarHBondContact O-N 3.22Å; D45-L47 VanDerWaalsContact OD1-CB 3.3Å; D45-L47 WeakPolarHBondContact OD1-CB 3.18Å; D45-L47 PolarHBondContact OD1-N 2.78Å; D45-L48 HydrophobicContact CB-CD1 3.96Å; D45-L48 HydrophobicContact CB-CG 3.94Å; D45-L48 PolarHBondContact O-N 3.2Å
46	P	91.9	Very high	92.3	Very high	94 Å²	94	87.8 Å²	87.8	61%	0.61	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-12.4	179.1	29.9	-35.2	0	0	0	114	Y44 L48	Y44-P46 HydrophobicContact CE1-CB 3.89Å; P46-L48 VanDerWaalsContact C-N 3.34Å
47	L	91.7	Very high	91.7	Very high	142 Å²	142	91.5 Å²	91.5	74%	0.743	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-13.1	-180	-58.8	178.5	0	0	0	112.7	D45 K49	D45-L47 PolarHBondContact O-N 3.22Å; D45-L47 VanDerWaalsContact OD1-CB 3.3Å; D45-L47 WeakPolarHBondContact OD1-CB 3.18Å; D45-L47 PolarHBondContact OD1-N 2.78Å; L47-K49 PolarHBondContact O-N 2.75Å
48	L	92.6	Very high	91.1	Very high	52 Å²	52	90.9 Å²	90.9	27%	0.272	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-65.3	119.4	175.9	-72.2	177.5	0	0	0	110.8	D45 P46 P87 Y202 T204	D45-L48 HydrophobicContact CB-CD1 3.96Å; D45-L48 HydrophobicContact CB-CG 3.94Å; D45-L48 PolarHBondContact O-N 3.2Å; P46-L48 VanDerWaalsContact C-N 3.34Å; L48-P87 HydrophobicContact CD2-CB 4.16Å; L48-Y202 HydrophobicContact CD1-CE2 4.14Å; L48-T204 HydrophobicContact CD1-CG2 3.98Å; L48-T204 HydrophobicContact CD2-CG2 4.23Å
49	K	90.9	Very high	90.6	Very high	118 Å²	118	89.2 Å²	89.2	51%	0.513	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-79.3	158.1	178.1	-64.8	-173.4	-176.2	175.4	0	111.1	L47 L51 G86 T89 Y202	L47-K49 PolarHBondContact O-N 2.75Å; K49-L51 PolarHBondContact O-N 2.82Å; K49-G86 WeakPolarHBondContact O-CA 3.29Å; K49-G86 PolarHBondContact O-N 2.83Å; K49-G86 VanDerWaalsContact O-N 3.09Å; K49-T89 HydrophobicContact CD-CG2 3.88Å; K49-T89 HydrophobicContact CG-CG2 4.1Å; K49-Y202 PolarHBondContact O-OH 2.99Å; K49-Y202 VanDerWaalsContact O-OH 3.04Å
50	P	91.9	Very high	90.3	Very high	105 Å²	105	86 Å²	86	68%	0.682	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-54.3	137.2	169	-25.5	35	0	0	0	112	G86	P50-G86 PolarHBondContact O-N 3.3Å
51	L	93.1	Very high	89.9	Confident	34 Å²	34	82.9 Å²	82.9	18%	0.178	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	132.7	175.2	-175	70.8	0	0	0	110.3	K49 I53 I83 L149 Y202 L221	K49-L51 PolarHBondContact O-N 2.82Å; L51-I53 HydrophobicContact CD2-CD1 3.97Å; L51-I53 HydrophobicContact CD2-CG1 4.15Å; L51-I53 HydrophobicContact CG-CG1 4.24Å; L51-I83 HydrophobicContact CD1-CG2 3.51Å; L51-I83 HydrophobicContact CG-CG2 4.41Å; L51-L149 HydrophobicContact CD2-CD2 3.62Å; L51-Y202 HydrophobicContact CB-CD1 4.47Å; L51-Y202 HydrophobicContact CB-CE1 4.09Å; L51-L221 HydrophobicContact CD1-CD1 3.44Å; L51-L221 VanDerWaalsContact CD1-CD1 3.44Å; L51-L221 HydrophobicContact CD2-CD1 3.97Å; L51-L221 HydrophobicContact CG-CD1 4.32Å
52	T	92.4	Very high	89.4	Confident	80 Å²	80	77.7 Å²	77.7	49%	0.491	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122	173.9	-60	0	0	0	0	109.8	I83 S84	T52-I83 WeakPolarHBondContact O-CA 3.28Å; T52-S84 PolarHBondContact N-O 3.43Å; T52-S84 PolarHBondContact O-N 2.75Å
53	I	91.2	Very high	88.8	Confident	25 Å²	25	74.4 Å²	74.4	13%	0.128	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.7	171.9	-54.6	174.3	0	0	0	106.6	L51 K55 V81 I83 L149 L196	L51-I53 HydrophobicContact CD2-CD1 3.97Å; L51-I53 HydrophobicContact CD2-CG1 4.15Å; L51-I53 HydrophobicContact CG-CG1 4.24Å; I53-K55 PolarHBondContact O-N 3.42Å; I53-V81 HydrophobicContact CG2-CG1 4.14Å; I53-I83 HydrophobicContact CG1-CG1 4.45Å; I53-L149 HydrophobicContact CD1-CD1 3.76Å; I53-L149 HydrophobicContact CD1-CD2 4.36Å; I53-L196 HydrophobicContact CD1-CD1 3.41Å; I53-L196 VanDerWaalsContact CD1-CD1 3.41Å
54	S	88.8	Confident	88	Confident	35 Å²	35	67.7 Å²	67.7	25%	0.245	34%	0.342	C	S	.	.			trans	-64.2	133.3	-179.2	56.8	0	0	0	0	110.9	A56 V81 T82	S54-A56 PolarHBondContact O-N 3.46Å; S54-V81 VanDerWaalsContact OG-CA 3.3Å; S54-V81 WeakPolarHBondContact OG-CA 3.43Å; S54-T82 PolarHBondContact N-O 2.71Å; S54-T82 PolarHBondContact OG-N 2.84Å; S54-T82 PolarHBondContact OG-O 3.34Å
55	K	80.1	Confident	87.3	Confident	190 Å²	190	59.9 Å²	59.9	83%	0.826	32%	0.315	S	S	*	.			trans	-76.2	90	177.3	-68.6	174.5	-178.5	178.6	0	109.8	I53 H193	I53-K55 PolarHBondContact O-N 3.42Å; K55-H193 WeakPolarHBondContact CA-NE2 3.5Å; K55-H193 VanDerWaalsContact CG-NE2 3.29Å; K55-H193 WeakPolarHBondContact CG-NE2 3.19Å
56	A	79.2	Confident	86.5	Confident	21 Å²	21	58.1 Å²	58.1	17%	0.174	31%	0.314	C	S	.	.			trans	-133.6	154.8	168.8	0	0	0	0	0	111	S54 V81	S54-A56 PolarHBondContact O-N 3.46Å; A56-V81 HydrophobicContact CB-CG2 3.78Å
57	R	83.7	Confident	85.9	Confident	124 Å²	124	59.4 Å²	59.4	47%	0.468	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	154.1	168.3	-61.2	-170.2	172.3	88.2	-1	108.7	N79 G187 D188 L190	R57-N79 WeakPolarHBondContact O-CB 3.34Å; R57-N79 PolarHBondContact O-OD1 3Å; R57-G187 CarbonylContact C-O 3.52Å; R57-G187 WeakPolarHBondContact CB-O 3.48Å; R57-D188 WeakPolarHBondContact CD-O 3.43Å; R57-D188 PolarHBondContact NE-O 2.66Å; R57-L190 CarbonylContact C-O 3.4Å; R57-L190 WeakPolarHBondContact CA-O 3.29Å; R57-L190 WeakPolarHBondContact CB-O 3.47Å
58	V	84.8	Confident	85.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.4	-175	-67.8	0	0	0	0	111	F71 I73 V81 L190 I192	V58-F71 HydrophobicContact CG2-CE1 3.81Å; V58-F71 HydrophobicContact CG2-CZ 4.39Å; V58-I73 HydrophobicContact CB-CG2 3.99Å; V58-I73 HydrophobicContact CG1-CG2 3.93Å; V58-V81 HydrophobicContact CG1-CB 4.44Å; V58-V81 HydrophobicContact CG1-CG2 3.38Å; V58-L190 HydrophobicContact CG2-CB 4.28Å; V58-L190 HydrophobicContact CG2-CD2 4.21Å; V58-L190 HydrophobicContact CG2-CG 4.17Å; V58-L190 PolarHBondContact N-O 2.88Å; V58-I192 HydrophobicContact CG1-CD1 4.37Å; V58-I192 HydrophobicContact CG1-CG1 4.11Å; V58-I192 HydrophobicContact CG2-CD1 3.66Å; V58-I192 HydrophobicContact CG2-CG1 4.05Å
59	S	86.3	Confident	85.1	Confident	13 Å²	13	51.8 Å²	51.8	9%	0.091	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	161.5	163.7	41.2	0	0	0	0	109.7	I73 E74 V185 G187	S59-I73 WeakPolarHBondContact O-CA 3.38Å; S59-E74 PolarHBondContact O-N 3.39Å; S59-V185 WeakPolarHBondContact CA-O 3.4Å; S59-G187 VanDerWaalsContact CB-CA 3.49Å
60	G	87.2	Confident	85	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.8	-174.2	174.3	0	0	0	0	0	114.7	F71 E72 V185	G60-F71 VanDerWaalsContact C-CE2 3.45Å; G60-F71 VanDerWaalsContact CA-CZ 3.48Å; G60-E72 CarbonylContact C-O 3.49Å; G60-E72 WeakPolarHBondContact CA-O 3.32Å; G60-V185 PolarHBondContact N-O 3.02Å; G60-V185 PolarHBondContact O-N 2.9Å
61	K	87.3	Confident	84.9	Confident	49 Å²	49	42.7 Å²	42.7	21%	0.213	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	116.2	178.5	-65.2	-176.2	-173.5	-173.2	0	109.4	F71 E72 E74 E177 V182	K61-F71 CarbonylContact O-C 3.47Å; K61-F71 WeakPolarHBondContact O-CA 3.4Å; K61-E72 PolarHBondContact N-O 3.49Å; K61-E72 PolarHBondContact O-N 3.04Å; K61-E74 WeakPolarHBondContact CE-OE1 3.4Å; K61-E177 WeakPolarHBondContact CE-OE1 2.97Å; K61-E177 VanDerWaalsContact NZ-CD 3.25Å; K61-E177 IonicContact NZ-OE1 2.82Å; K61-E177 PolarHBondContact NZ-OE1 2.89Å; K61-E177 IonicContact NZ-OE2 2.75Å; K61-E177 PolarHBondContact NZ-OE2 3.41Å; K61-V182 HydrophobicContact CB-CG1 3.68Å; K61-V182 HydrophobicContact CD-CG1 4.24Å; K61-V182 HydrophobicContact CG-CG1 4.11Å
62	L	83.9	Confident	84.8	Confident	24 Å²	24	44.7 Å²	44.7	13%	0.126	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	122.7	170.7	179.4	66.1	0	0	0	109.2	L69 L70 F71 V182 F183 V185	L62-L69 HydrophobicContact CD1-CB 4.24Å; L62-L70 CarbonylContact C-O 3.56Å; L62-L70 WeakPolarHBondContact CA-O 3.37Å; L62-F71 HydrophobicContact CB-CD2 3.99Å; L62-F71 HydrophobicContact CD1-CB 4.15Å; L62-V182 CarbonylContact O-C 3.5Å; L62-V182 WeakPolarHBondContact O-CA 3.48Å; L62-F183 HydrophobicContact CB-CB 4.26Å; L62-F183 PolarHBondContact N-O 2.72Å; L62-F183 PolarHBondContact O-N 3.09Å; L62-V185 HydrophobicContact CB-CG2 4.12Å
63	S	83.6	Confident	84.8	Confident	14 Å²	14	41.5 Å²	41.5	10%	0.098	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.4	178.2	64.2	0	0	0	0	110.7	L69 L70	S63-L69 WeakPolarHBondContact O-CA 3.12Å; S63-L70 PolarHBondContact N-O 2.78Å; S63-L70 PolarHBondContact O-N 3.09Å; S63-L70 PolarHBondContact OG-O 3.41Å
64	N	80	Confident	84.8	Confident	27 Å²	27	44 Å²	44	14%	0.144	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	113.9	168.4	175.6	5.3	0	0	0	108.7	G66 L69 L240 G241	N64-G66 PolarHBondContact O-N 3.01Å; N64-G66 WeakPolarHBondContact OD1-CA 3.37Å; N64-G66 PolarHBondContact OD1-N 2.84Å; N64-L69 HydrophobicContact CB-CD2 3.9Å; N64-L240 PolarHBondContact ND2-O 2.75Å; N64-G241 WeakPolarHBondContact ND2-CA 3.42Å; N64-G241 PolarHBondContact ND2-O 3.2Å
65	T	79.6	Confident	84.6	Confident	38 Å²	38	46.1 Å²	46.1	23%	0.233	23%	0.227	C	C	.	.			trans	-78.3	-12	-178.6	67.2	0	0	0	0	112.6	Q67 F68 L70 K244	T65-Q67 VanDerWaalsContact C-N 3.3Å; T65-Q67 PolarHBondContact OG1-N 2.86Å; T65-F68 HydrophobicContact CG2-CD2 4.07Å; T65-F68 HydrophobicContact CG2-CE2 3.75Å; T65-F68 HydrophobicContact CG2-CZ 4.24Å; T65-F68 PolarHBondContact N-O 3.38Å; T65-F68 VanDerWaalsContact N-O 3.07Å; T65-F68 PolarHBondContact OG1-N 3.44Å; T65-F68 VanDerWaalsContact OG1-N 3.15Å; T65-F68 PolarHBondContact OG1-O 2.99Å; T65-L70 HydrophobicContact CG2-CB 3.86Å; T65-L70 HydrophobicContact CG2-CD2 4.29Å; T65-K244 PolarHBondContact O-NZ 2.78Å
66	G	77.1	Confident	84.6	Confident	35 Å²	35	40.2 Å²	40.2	36%	0.361	21%	0.205	S	C	.	.	S	Bend	trans	90.7	-13.3	-167	0	0	0	0	0	113.7	N64	N64-G66 PolarHBondContact O-N 3.01Å; N64-G66 WeakPolarHBondContact OD1-CA 3.37Å; N64-G66 PolarHBondContact OD1-N 2.84Å
67	Q	77.6	Confident	84.3	Confident	121 Å²	121	45.2 Å²	45.2	57%	0.565	24%	0.238	S	C	*	.	S	Bend	trans	-114.8	-30.8	177.4	-64.3	179.3	3.7	0	0	111.9	T65	T65-Q67 VanDerWaalsContact C-N 3.3Å; T65-Q67 PolarHBondContact OG1-N 2.86Å
68	F	84.8	Confident	83.7	Confident	23 Å²	23	48 Å²	48	10%	0.101	25%	0.254	C	S	.	.	S	Bend	trans	-161.1	166	-179	49	-95	0	0	0	110.3	T65 L70 I99 R101 F211	T65-F68 HydrophobicContact CG2-CD2 4.07Å; T65-F68 HydrophobicContact CG2-CE2 3.75Å; T65-F68 HydrophobicContact CG2-CZ 4.24Å; T65-F68 PolarHBondContact N-O 3.38Å; T65-F68 VanDerWaalsContact N-O 3.07Å; T65-F68 PolarHBondContact OG1-N 3.44Å; T65-F68 VanDerWaalsContact OG1-N 3.15Å; T65-F68 PolarHBondContact OG1-O 2.99Å; F68-L70 HydrophobicContact CD2-CB 4.11Å; F68-L70 HydrophobicContact CE2-CB 3.97Å; F68-L70 HydrophobicContact CE2-CD1 4.46Å; F68-I99 HydrophobicContact CB-CG2 3.88Å; F68-I99 HydrophobicContact CD1-CG2 4.47Å; F68-I99 HydrophobicContact CD2-CB 4.34Å; F68-I99 HydrophobicContact CD2-CD1 4.14Å; F68-I99 HydrophobicContact CD2-CG1 4Å; F68-I99 HydrophobicContact CD2-CG2 3.64Å; F68-I99 HydrophobicContact CE2-CD1 3.68Å; F68-I99 HydrophobicContact CE2-CG1 3.91Å; F68-I99 HydrophobicContact CE2-CG2 4.27Å; F68-I99 HydrophobicContact CG-CG2 3.75Å; F68-I99 HydrophobicContact CZ-CD1 4.01Å; F68-R101 HydrophobicContact CB-CG 3.86Å; F68-F211 HydrophobicContact CE1-CB 4.31Å; F68-F211 HydrophobicContact CZ-CB 4.36Å
69	L	84.5	Confident	83.2	Confident	12 Å²	12	49.5 Å²	49.5	6%	0.063	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	124.8	167.9	-63.1	176.4	0	0	0	108.7	L62 S63 N64 I99 V100 F237 L240	L62-L69 HydrophobicContact CD1-CB 4.24Å; S63-L69 WeakPolarHBondContact O-CA 3.12Å; N64-L69 HydrophobicContact CB-CD2 3.9Å; L69-I99 WeakPolarHBondContact O-CA 3.34Å; L69-V100 HydrophobicContact CB-CB 4.34Å; L69-V100 PolarHBondContact N-O 3.23Å; L69-V100 PolarHBondContact O-N 3.15Å; L69-F237 HydrophobicContact CD1-CB 4.25Å; L69-F237 HydrophobicContact CD1-CD1 3.52Å; L69-F237 HydrophobicContact CD1-CE1 4.35Å; L69-F237 HydrophobicContact CD1-CG 4.35Å; L69-L240 HydrophobicContact CD1-CB 4.34Å; L69-L240 HydrophobicContact CD2-CB 4.11Å
70	L	88.6	Confident	83.1	Confident	20 Å²	20	51.4 Å²	51.4	11%	0.105	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.3	178.7	174.8	63.5	0	0	0	109	L62 S63 T65 F68 E72 K97 I99	L62-L70 CarbonylContact C-O 3.56Å; L62-L70 WeakPolarHBondContact CA-O 3.37Å; S63-L70 PolarHBondContact N-O 2.78Å; S63-L70 PolarHBondContact O-N 3.09Å; S63-L70 PolarHBondContact OG-O 3.41Å; T65-L70 HydrophobicContact CG2-CB 3.86Å; T65-L70 HydrophobicContact CG2-CD2 4.29Å; F68-L70 HydrophobicContact CD2-CB 4.11Å; F68-L70 HydrophobicContact CE2-CB 3.97Å; F68-L70 HydrophobicContact CE2-CD1 4.46Å; L70-E72 HydrophobicContact CD1-CG 4.2Å; L70-E72 HydrophobicContact CD2-CG 3.88Å; L70-E72 HydrophobicContact CG-CG 3.79Å; L70-K97 HydrophobicContact CD1-CB 4.15Å; L70-K97 HydrophobicContact CD1-CD 4.34Å; L70-K97 HydrophobicContact CD1-CG 4.31Å; L70-I99 HydrophobicContact CD1-CG1 3.89Å
71	F	88.6	Confident	83.3	Confident	11 Å²	11	51.5 Å²	51.5	5%	0.048	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	111.5	168.5	-177	-109.8	0	0	0	109.7	V58 G60 K61 L62 I73 K97 V98 V185 L190	V58-F71 HydrophobicContact CG2-CE1 3.81Å; V58-F71 HydrophobicContact CG2-CZ 4.39Å; G60-F71 VanDerWaalsContact C-CE2 3.45Å; G60-F71 VanDerWaalsContact CA-CZ 3.48Å; K61-F71 CarbonylContact O-C 3.47Å; K61-F71 WeakPolarHBondContact O-CA 3.4Å; L62-F71 HydrophobicContact CB-CD2 3.99Å; L62-F71 HydrophobicContact CD1-CB 4.15Å; F71-I73 HydrophobicContact CD1-CG1 4Å; F71-I73 HydrophobicContact CE1-CG1 3.84Å; F71-K97 CarbonylContact O-C 3.59Å; F71-K97 WeakPolarHBondContact O-CA 3.02Å; F71-V98 HydrophobicContact CB-CB 4.14Å; F71-V98 HydrophobicContact CD1-CG2 4.28Å; F71-V98 PolarHBondContact N-O 2.75Å; F71-V98 PolarHBondContact O-N 2.91Å; F71-V185 HydrophobicContact CD2-CG2 4.14Å; F71-V185 HydrophobicContact CE2-CB 3.6Å; F71-V185 HydrophobicContact CE2-CG1 4.17Å; F71-V185 HydrophobicContact CE2-CG2 3.53Å; F71-V185 HydrophobicContact CZ-CB 4.1Å; F71-V185 HydrophobicContact CZ-CG1 4.3Å; F71-V185 HydrophobicContact CZ-CG2 4.43Å; F71-L190 HydrophobicContact CD1-CD2 4.02Å; F71-L190 HydrophobicContact CE1-CD2 3.67Å; F71-L190 HydrophobicContact CZ-CD2 3.98Å
72	E	92	Very high	83.6	Confident	77 Å²	77	50.5 Å²	50.5	36%	0.36	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117.9	176.4	-57.4	-166.2	84.9	0	0	109.4	G60 K61 L70 E74 K97	G60-E72 CarbonylContact C-O 3.49Å; G60-E72 WeakPolarHBondContact CA-O 3.32Å; K61-E72 PolarHBondContact N-O 3.49Å; K61-E72 PolarHBondContact O-N 3.04Å; L70-E72 HydrophobicContact CD1-CG 4.2Å; L70-E72 HydrophobicContact CD2-CG 3.88Å; L70-E72 HydrophobicContact CG-CG 3.79Å; E72-E74 PolarHBondContact O-N 2.84Å; E72-K97 IonicContact OE1-NZ 3.39Å; E72-K97 PolarHBondContact OE1-NZ 3.43Å
73	I	91.6	Very high	84.1	Confident	13 Å²	13	49.4 Å²	49.4	7%	0.067	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	125.1	-176.9	-62.6	169.4	0	0	0	108.8	V58 S59 F71 L95 S96 V98 I192	V58-I73 HydrophobicContact CB-CG2 3.99Å; V58-I73 HydrophobicContact CG1-CG2 3.93Å; S59-I73 WeakPolarHBondContact O-CA 3.38Å; F71-I73 HydrophobicContact CD1-CG1 4Å; F71-I73 HydrophobicContact CE1-CG1 3.84Å; I73-L95 HydrophobicContact CD1-CB 3.71Å; I73-S96 PolarHBondContact N-O 2.81Å; I73-V98 HydrophobicContact CD1-CG2 4.48Å; I73-I192 HydrophobicContact CD1-CD1 4.15Å
74	E	90.5	Very high	84.6	Confident	78 Å²	78	50.4 Å²	50.4	36%	0.364	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	125.6	170.5	-76	176.2	174.7	0	0	109	S59 K61 E72	S59-E74 PolarHBondContact O-N 3.39Å; K61-E74 WeakPolarHBondContact CE-OE1 3.4Å; E72-E74 PolarHBondContact O-N 2.84Å
75	H	85.7	Confident	85.2	Confident	78 Å²	78	49.9 Å²	49.9	36%	0.361	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-92.3	122	179.5	-59.9	-44.5	0	0	0	110.7	L95	H75-L95 PolarHBondContact CE1-O 3.44Å; H75-L95 PolarHBondContact NE2-O 3.21Å
76	D	79	Confident	85.9	Confident	67 Å²	67	48 Å²	48	36%	0.358	26%	0.261	S	S	.	.			trans	-121.7	170.4	162.9	70	40.1	0	0	0	109.8	K78 N79	D76-K78 PolarHBondContact O-N 3.08Å; D76-K78 WeakPolarHBondContact OD1-CA 3.47Å; D76-K78 WeakPolarHBondContact OD1-CB 3.47Å; D76-K78 PolarHBondContact OD1-N 3.08Å; D76-N79 WeakPolarHBondContact OD1-CB 3Å; D76-N79 PolarHBondContact OD1-N 2.83Å; D76-N79 PolarHBondContact OD1-ND2 2.84Å; D76-N79 PolarHBondContact OD2-ND2 2.84Å
77	S	73.8	Confident	86.7	Confident	126 Å²	126	48.4 Å²	48.4	88%	0.881	26%	0.257	S	S	*	.	S	Bend	trans	-68.8	-9.8	-178.9	49.9	0	0	0	0	114.5
78	K	71.3	Confident	87.4	Confident	181 Å²	181	43 Å²	43	79%	0.787	23%	0.231	S	C	*	.	S	Bend	trans	-102.2	-27	-177.2	-63.3	-178.1	178.9	179.4	0	112.8	D76	D76-K78 PolarHBondContact O-N 3.08Å; D76-K78 WeakPolarHBondContact OD1-CA 3.47Å; D76-K78 WeakPolarHBondContact OD1-CB 3.47Å; D76-K78 PolarHBondContact OD1-N 3.08Å
79	N	74.3	Confident	87.1	Confident	32 Å²	32	45.6 Å²	45.6	17%	0.171	25%	0.249	C	C	.	.			trans	-117.3	45.5	-169.8	-63.3	-45.5	0	0	0	111.8	R57 D76 V81	R57-N79 WeakPolarHBondContact O-CB 3.34Å; R57-N79 PolarHBondContact O-OD1 3Å; D76-N79 WeakPolarHBondContact OD1-CB 3Å; D76-N79 PolarHBondContact OD1-N 2.83Å; D76-N79 PolarHBondContact OD1-ND2 2.84Å; D76-N79 PolarHBondContact OD2-ND2 2.84Å; N79-V81 PolarHBondContact O-N 3.03Å
80	D	83.7	Confident	87.3	Confident	53 Å²	53	50 Å²	50	28%	0.283	28%	0.277	S	S	.	.			trans	-82	111.2	175.7	-164.1	2.7	0	0	0	110.3	R94	D80-R94 VanDerWaalsContact CG-NE 3.28Å; D80-R94 WeakPolarHBondContact OD1-CD 2.62Å; D80-R94 VanDerWaalsContact OD1-CG 3.29Å; D80-R94 WeakPolarHBondContact OD1-CG 3.47Å; D80-R94 IonicContact OD1-CZ 3.38Å; D80-R94 IonicContact OD1-NE 3.22Å; D80-R94 PolarHBondContact OD1-NE 2.83Å; D80-R94 IonicContact OD1-NH2 2.71Å; D80-R94 IonicContact OD2-CZ 3.77Å; D80-R94 IonicContact OD2-NE 3.67Å; D80-R94 PolarHBondContact OD2-NE 2.8Å; D80-R94 IonicContact OD2-NH2 2.84Å; D80-R94 PolarHBondContact OD2-NH2 3.07Å
81	V	91	Very high	87.6	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.012	29%	0.285	C	S	.	.			trans	-100.2	117.2	173.7	-172.4	0	0	0	0	109.5	I53 S54 A56 V58 N79 R94 L95 I192	I53-V81 HydrophobicContact CG2-CG1 4.14Å; S54-V81 VanDerWaalsContact OG-CA 3.3Å; S54-V81 WeakPolarHBondContact OG-CA 3.43Å; A56-V81 HydrophobicContact CB-CG2 3.78Å; V58-V81 HydrophobicContact CG1-CB 4.44Å; V58-V81 HydrophobicContact CG1-CG2 3.38Å; N79-V81 PolarHBondContact O-N 3.03Å; V81-R94 WeakPolarHBondContact O-CA 3.41Å; V81-L95 HydrophobicContact CB-CB 4.27Å; V81-L95 HydrophobicContact CB-CD1 3.86Å; V81-L95 HydrophobicContact CB-CG 4.04Å; V81-L95 HydrophobicContact CG1-CD1 3.31Å; V81-L95 HydrophobicContact CG1-CG 3.77Å; V81-L95 PolarHBondContact O-N 3.22Å; V81-I192 HydrophobicContact CG1-CG1 4.42Å; V81-I192 HydrophobicContact CG2-CG1 4.33Å
82	T	94.4	Very high	88	Confident	29 Å²	29	57.9 Å²	57.9	18%	0.178	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144.3	178.8	62.6	0	0	0	0	112.4	S54 Y93 I130	S54-T82 PolarHBondContact N-O 2.71Å; S54-T82 PolarHBondContact OG-N 2.84Å; S54-T82 PolarHBondContact OG-O 3.34Å; T82-Y93 CarbonylContact C-O 3.41Å; T82-Y93 WeakPolarHBondContact CA-O 3.48Å; T82-I130 HydrophobicContact CG2-CD1 4.37Å
83	I	94.4	Very high	88.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	137.9	165.8	-51	163.1	0	0	0	108.4	L51 T52 I53 F88 Y93 L95 A147 L149	L51-I83 HydrophobicContact CD1-CG2 3.51Å; L51-I83 HydrophobicContact CG-CG2 4.41Å; T52-I83 WeakPolarHBondContact O-CA 3.28Å; I53-I83 HydrophobicContact CG1-CG1 4.45Å; I83-F88 HydrophobicContact CG2-CD2 4.11Å; I83-F88 HydrophobicContact CG2-CE2 4.24Å; I83-Y93 PolarHBondContact N-O 2.91Å; I83-Y93 PolarHBondContact O-N 3.22Å; I83-L95 HydrophobicContact CD1-CD2 3.3Å; I83-L95 HydrophobicContact CG1-CD2 3.51Å; I83-L95 HydrophobicContact CG1-CG 4.38Å; I83-A147 HydrophobicContact CD1-CB 4.17Å; I83-L149 HydrophobicContact CD1-CD1 3.43Å; I83-L149 VanDerWaalsContact CD1-CD1 3.43Å; I83-L149 HydrophobicContact CD1-CG 3.98Å; I83-L149 HydrophobicContact CG1-CD1 3.97Å
84	S	94	Very high	88.5	Confident	36 Å²	36	56.9 Å²	56.9	25%	0.252	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	169.2	170.6	58.8	0	0	0	0	110.7	T52	T52-S84 PolarHBondContact N-O 3.43Å; T52-S84 PolarHBondContact O-N 2.75Å
85	G	93.1	Very high	88.7	Confident	15 Å²	15	53.3 Å²	53.3	16%	0.155	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	79	-160.9	-174.9	0	0	0	0	0	111.9	F88	G85-F88 WeakPolarHBondContact O-CA 3.49Å; G85-F88 VanDerWaalsContact O-CB 3.27Å; G85-F88 WeakPolarHBondContact O-CB 3.4Å; G85-F88 PolarHBondContact O-N 2.67Å
86	G	93	Very high	89.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	-131.5	-170	0	0	0	0	0	112.3	K49 P50 F88 T89 Y202	K49-G86 WeakPolarHBondContact O-CA 3.29Å; K49-G86 PolarHBondContact O-N 2.83Å; K49-G86 VanDerWaalsContact O-N 3.09Å; P50-G86 PolarHBondContact O-N 3.3Å; G86-F88 PolarHBondContact O-N 3.41Å; G86-T89 VanDerWaalsContact O-CG2 3.25Å; G86-T89 WeakPolarHBondContact O-CG2 3.15Å; G86-Y202 WeakPolarHBondContact CA-OH 3.19Å
87	P	94.2	Very high	89.9	Confident	43 Å²	43	48.9 Å²	48.9	28%	0.279	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-15.2	173.6	33.2	-36.9	0	0	0	112.7	L48 T89 T219 L221	L48-P87 HydrophobicContact CD2-CB 4.16Å; P87-T89 PolarHBondContact O-N 3.06Å; P87-T219 HydrophobicContact CB-CG2 4.21Å; P87-T219 HydrophobicContact CG-CG2 3.75Å; P87-L221 HydrophobicContact CG-CD2 3.85Å
88	F	93	Very high	90.8	Very high	7 Å²	7	43.1 Å²	43.1	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	35.4	-174.6	-50.5	-57	0	0	0	113.6	I83 G85 G86 T90 Y91 Y93 A147 T219 L221	I83-F88 HydrophobicContact CG2-CD2 4.11Å; I83-F88 HydrophobicContact CG2-CE2 4.24Å; G85-F88 WeakPolarHBondContact O-CA 3.49Å; G85-F88 VanDerWaalsContact O-CB 3.27Å; G85-F88 WeakPolarHBondContact O-CB 3.4Å; G85-F88 PolarHBondContact O-N 2.67Å; G86-F88 PolarHBondContact O-N 3.41Å; F88-T90 PolarHBondContact O-N 2.86Å; F88-Y91 PolarHBondContact O-N 2.86Å; F88-Y91 VanDerWaalsContact O-N 3.08Å; F88-Y93 HydrophobicContact CB-CD2 4.1Å; F88-Y93 HydrophobicContact CB-CE2 3.83Å; F88-Y93 AromaticContact CD1-CD2 3.88Å; F88-Y93 HydrophobicContact CD1-CD2 3.88Å; F88-Y93 AromaticContact CD1-CE2 3.24Å; F88-Y93 HydrophobicContact CD1-CE2 3.24Å; F88-Y93 AromaticContact CD1-CZ 3.72Å; F88-Y93 HydrophobicContact CD2-CD2 4.33Å; F88-Y93 HydrophobicContact CD2-CE2 4.47Å; F88-Y93 HydrophobicContact CE1-CD2 4.36Å; F88-Y93 AromaticContact CE1-CE2 3.85Å; F88-Y93 HydrophobicContact CE1-CE2 3.85Å; F88-Y93 AromaticContact CE1-CZ 3.95Å; F88-Y93 AromaticContact CG-CD2 3.85Å; F88-Y93 HydrophobicContact CG-CD2 3.85Å; F88-Y93 AromaticContact CG-CE2 3.61Å; F88-Y93 HydrophobicContact CG-CE2 3.61Å; F88-A147 HydrophobicContact CE1-CB 3.85Å; F88-A147 HydrophobicContact CE2-CB 3.65Å; F88-A147 HydrophobicContact CZ-CB 3.28Å; F88-T219 VanDerWaalsContact CE1-CB 3.46Å; F88-T219 HydrophobicContact CE1-CG2 3.65Å; F88-T219 HydrophobicContact CZ-CG2 3.87Å; F88-L221 HydrophobicContact CD2-CD1 4.34Å; F88-L221 HydrophobicContact CE2-CD1 3.52Å; F88-L221 HydrophobicContact CE2-CG 4.12Å; F88-L221 HydrophobicContact CZ-CD1 4.3Å; F88-L221 HydrophobicContact CZ-CG 4.43Å
89	T	79.3	Confident	91.8	Very high	77 Å²	77	34.6 Å²	34.6	47%	0.472	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	-19.6	-164.6	61.9	0	0	0	0	115.3	K49 G86 P87	K49-T89 HydrophobicContact CD-CG2 3.88Å; K49-T89 HydrophobicContact CG-CG2 4.1Å; G86-T89 VanDerWaalsContact O-CG2 3.25Å; G86-T89 WeakPolarHBondContact O-CG2 3.15Å; P87-T89 PolarHBondContact O-N 3.06Å
90	T	88.3	Confident	92.5	Very high	105 Å²	105	34 Å²	34	64%	0.644	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	-11.8	179.8	54.4	0	0	0	0	114.8	F88	F88-T90 PolarHBondContact O-N 2.86Å
91	Y	95.3	Very high	92.7	Very high	71 Å²	71	32.8 Å²	32.8	28%	0.278	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151.2	-169	-60.4	-56.4	0	0	0	112.2	F88 N129 D131 L132 N144	F88-Y91 PolarHBondContact O-N 2.86Å; F88-Y91 VanDerWaalsContact O-N 3.08Å; Y91-N129 WeakPolarHBondContact CB-ND2 3.45Å; Y91-N129 VanDerWaalsContact CG-ND2 3.26Å; Y91-D131 WeakPolarHBondContact CA-OD2 3.28Å; Y91-D131 HydrophobicContact CD1-CB 4.12Å; Y91-L132 HydrophobicContact CD1-CG 4.38Å; Y91-L132 HydrophobicContact CE1-CD1 4.04Å; Y91-L132 HydrophobicContact CE1-CD2 4.03Å; Y91-L132 HydrophobicContact CE1-CG 4.01Å; Y91-L132 HydrophobicContact CE2-CD1 4.45Å; Y91-N144 HydrophobicContact CE2-CB 4.35Å
92	R	96	Very high	92.3	Very high	126 Å²	126	34.5 Å²	34.5	48%	0.475	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	140.1	172.4	-61.4	174.2	-61.4	155.6	5.2	109.5	N129 I130 D131	R92-N129 WeakPolarHBondContact O-CA 3.38Å; R92-I130 HydrophobicContact CB-CD1 3.9Å; R92-I130 HydrophobicContact CB-CG1 3.86Å; R92-I130 VanDerWaalsContact O-CG1 3.28Å; R92-I130 WeakPolarHBondContact O-CG1 3.48Å; R92-I130 PolarHBondContact O-N 2.83Å; R92-D131 IonicContact CZ-OD1 2.75Å; R92-D131 PolarHBondContact N-OD2 2.8Å; R92-D131 IonicContact NE-OD1 2.77Å; R92-D131 PolarHBondContact NE-OD1 2.79Å; R92-D131 IonicContact NE-OD2 3.43Å; R92-D131 IonicContact NH2-OD1 2.67Å; R92-D131 PolarHBondContact NH2-OD1 3.25Å
93	Y	97.2	Very high	91.7	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.7	178.8	-69.2	-102.3	0	0	0	109.7	T82 I83 F88 Y128 N129 N144 A147	T82-Y93 CarbonylContact C-O 3.41Å; T82-Y93 WeakPolarHBondContact CA-O 3.48Å; I83-Y93 PolarHBondContact N-O 2.91Å; I83-Y93 PolarHBondContact O-N 3.22Å; F88-Y93 HydrophobicContact CB-CD2 4.1Å; F88-Y93 HydrophobicContact CB-CE2 3.83Å; F88-Y93 AromaticContact CD1-CD2 3.88Å; F88-Y93 HydrophobicContact CD1-CD2 3.88Å; F88-Y93 AromaticContact CD1-CE2 3.24Å; F88-Y93 HydrophobicContact CD1-CE2 3.24Å; F88-Y93 AromaticContact CD1-CZ 3.72Å; F88-Y93 HydrophobicContact CD2-CD2 4.33Å; F88-Y93 HydrophobicContact CD2-CE2 4.47Å; F88-Y93 HydrophobicContact CE1-CD2 4.36Å; F88-Y93 AromaticContact CE1-CE2 3.85Å; F88-Y93 HydrophobicContact CE1-CE2 3.85Å; F88-Y93 AromaticContact CE1-CZ 3.95Å; F88-Y93 AromaticContact CG-CD2 3.85Å; F88-Y93 HydrophobicContact CG-CD2 3.85Å; F88-Y93 AromaticContact CG-CE2 3.61Å; F88-Y93 HydrophobicContact CG-CE2 3.61Å; Y93-Y128 CarbonylContact C-O 3.57Å; Y93-Y128 WeakPolarHBondContact CA-O 3Å; Y93-N129 HydrophobicContact CD1-CB 3.99Å; Y93-N129 HydrophobicContact CE1-CB 3.57Å; Y93-N144 WeakPolarHBondContact CE1-O 3.37Å; Y93-N144 PolarHBondContact OH-O 2.77Å; Y93-A147 HydrophobicContact CD1-CB 3.46Å; Y93-A147 VanDerWaalsContact CD1-CB 3.46Å; Y93-A147 HydrophobicContact CD2-CB 4.15Å; Y93-A147 HydrophobicContact CE1-CB 4.01Å; Y93-A147 HydrophobicContact CG-CB 3.55Å
94	R	96.1	Very high	90.8	Very high	67 Å²	67	40.6 Å²	40.6	25%	0.253	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.4	172.9	174.9	179.2	-66	158.2	-7.4	109	D80 V81 G127 Y128 I130	D80-R94 VanDerWaalsContact CG-NE 3.28Å; D80-R94 WeakPolarHBondContact OD1-CD 2.62Å; D80-R94 VanDerWaalsContact OD1-CG 3.29Å; D80-R94 WeakPolarHBondContact OD1-CG 3.47Å; D80-R94 IonicContact OD1-CZ 3.38Å; D80-R94 IonicContact OD1-NE 3.22Å; D80-R94 PolarHBondContact OD1-NE 2.83Å; D80-R94 IonicContact OD1-NH2 2.71Å; D80-R94 IonicContact OD2-CZ 3.77Å; D80-R94 IonicContact OD2-NE 3.67Å; D80-R94 PolarHBondContact OD2-NE 2.8Å; D80-R94 IonicContact OD2-NH2 2.84Å; D80-R94 PolarHBondContact OD2-NH2 3.07Å; V81-R94 WeakPolarHBondContact O-CA 3.41Å; R94-G127 CarbonylContact O-C 3.55Å; R94-G127 WeakPolarHBondContact O-CA 3.45Å; R94-Y128 HydrophobicContact CB-CE1 4.04Å; R94-Y128 HydrophobicContact CG-CE1 4.16Å; R94-Y128 PolarHBondContact N-O 2.9Å; R94-Y128 PolarHBondContact NH1-OH 3.24Å; R94-Y128 WeakPolarHBondContact O-CD1 3.49Å; R94-Y128 PolarHBondContact O-N 3.33Å; R94-I130 HydrophobicContact CB-CG2 3.32Å; R94-I130 HydrophobicContact CG-CG2 4.46Å
95	L	95.8	Very high	90	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	144.6	173.7	-62.6	-167.3	0	0	0	110.3	I73 H75 V81 I83 I125 I192	I73-L95 HydrophobicContact CD1-CB 3.71Å; H75-L95 PolarHBondContact CE1-O 3.44Å; H75-L95 PolarHBondContact NE2-O 3.21Å; V81-L95 HydrophobicContact CB-CB 4.27Å; V81-L95 HydrophobicContact CB-CD1 3.86Å; V81-L95 HydrophobicContact CB-CG 4.04Å; V81-L95 HydrophobicContact CG1-CD1 3.31Å; V81-L95 HydrophobicContact CG1-CG 3.77Å; V81-L95 PolarHBondContact O-N 3.22Å; I83-L95 HydrophobicContact CD1-CD2 3.3Å; I83-L95 HydrophobicContact CG1-CD2 3.51Å; I83-L95 HydrophobicContact CG1-CG 4.38Å; L95-I125 HydrophobicContact CD1-CG2 3.87Å; L95-I125 HydrophobicContact CD2-CG2 3.67Å; L95-I125 HydrophobicContact CG-CG2 4.3Å; L95-I192 HydrophobicContact CD1-CB 4.31Å; L95-I192 HydrophobicContact CD1-CD1 4.2Å; L95-I192 HydrophobicContact CD1-CG1 3.85Å; L95-I192 HydrophobicContact CD1-CG2 3.75Å
96	S	95.6	Very high	89.3	Confident	15 Å²	15	50.3 Å²	50.3	11%	0.105	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	-39.7	-175.3	-178.8	0	0	0	0	112.7	I73 Y126	I73-S96 PolarHBondContact N-O 2.81Å; S96-Y126 PolarHBondContact N-O 3.42Å
97	K	94.6	Very high	88.9	Confident	38 Å²	38	56.5 Å²	56.5	17%	0.165	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	144.8	-176.1	-64.6	173.8	-175	-86.2	0	110.8	L70 F71 E72 Y126 F136	L70-K97 HydrophobicContact CD1-CB 4.15Å; L70-K97 HydrophobicContact CD1-CD 4.34Å; L70-K97 HydrophobicContact CD1-CG 4.31Å; F71-K97 CarbonylContact O-C 3.59Å; F71-K97 WeakPolarHBondContact O-CA 3.02Å; E72-K97 IonicContact OE1-NZ 3.39Å; E72-K97 PolarHBondContact OE1-NZ 3.43Å; K97-Y126 PolarHBondContact N-O 2.92Å; K97-Y126 PolarHBondContact O-N 2.77Å; K97-F136 HydrophobicContact CD-CD1 4.49Å; K97-F136 HydrophobicContact CD-CE1 4.19Å; K97-F136 HydrophobicContact CD-CZ 4.27Å
98	V	92.2	Very high	88.4	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.024	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.2	164	-175.7	0	0	0	0	108.3	F71 I73 V100 V123 Q124 I125 I192 L195	F71-V98 HydrophobicContact CB-CB 4.14Å; F71-V98 HydrophobicContact CD1-CG2 4.28Å; F71-V98 PolarHBondContact N-O 2.75Å; F71-V98 PolarHBondContact O-N 2.91Å; I73-V98 HydrophobicContact CD1-CG2 4.48Å; V98-V100 HydrophobicContact CG1-CG2 4.21Å; V98-V123 HydrophobicContact CG1-CG2 3.7Å; V98-Q124 CarbonylContact C-O 3.51Å; V98-Q124 WeakPolarHBondContact CA-O 3.08Å; V98-I125 HydrophobicContact CG1-CG1 4.04Å; V98-I125 HydrophobicContact CG2-CG1 4.06Å; V98-I125 HydrophobicContact CG2-CG2 4.24Å; V98-I192 HydrophobicContact CG2-CD1 4.31Å; V98-L195 HydrophobicContact CG1-CD1 4.06Å; V98-L195 HydrophobicContact CG2-CD1 4.19Å
99	I	91.9	Very high	88.2	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.2	172.7	-67.6	-177.7	0	0	0	107.7	F68 L69 L70 R101 V123 Q124 Y126 F211	F68-I99 HydrophobicContact CB-CG2 3.88Å; F68-I99 HydrophobicContact CD1-CG2 4.47Å; F68-I99 HydrophobicContact CD2-CB 4.34Å; F68-I99 HydrophobicContact CD2-CD1 4.14Å; F68-I99 HydrophobicContact CD2-CG1 4Å; F68-I99 HydrophobicContact CD2-CG2 3.64Å; F68-I99 HydrophobicContact CE2-CD1 3.68Å; F68-I99 HydrophobicContact CE2-CG1 3.91Å; F68-I99 HydrophobicContact CE2-CG2 4.27Å; F68-I99 HydrophobicContact CG-CG2 3.75Å; F68-I99 HydrophobicContact CZ-CD1 4.01Å; L69-I99 WeakPolarHBondContact O-CA 3.34Å; L70-I99 HydrophobicContact CD1-CG1 3.89Å; I99-R101 HydrophobicContact CG2-CG 4.05Å; I99-V123 WeakPolarHBondContact O-CA 3.31Å; I99-Q124 HydrophobicContact CB-CB 4.33Å; I99-Q124 PolarHBondContact N-O 3.06Å; I99-Q124 PolarHBondContact O-N 3.03Å; I99-Y126 HydrophobicContact CB-CE2 4.47Å; I99-Y126 HydrophobicContact CD1-CE2 3.86Å; I99-Y126 HydrophobicContact CG1-CE2 4.24Å; I99-F211 HydrophobicContact CD1-CD1 3.6Å; I99-F211 HydrophobicContact CD1-CE1 3.82Å
100	V	88.5	Confident	88.9	Confident	21 Å²	21	55.2 Å²	55.2	13%	0.127	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.8	172.8	-177.9	0	0	0	0	108.6	L69 V98 V102 V123 I153	L69-V100 HydrophobicContact CB-CB 4.34Å; L69-V100 PolarHBondContact N-O 3.23Å; L69-V100 PolarHBondContact O-N 3.15Å; V98-V100 HydrophobicContact CG1-CG2 4.21Å; V100-V102 HydrophobicContact CG1-CG2 4.03Å; V100-V123 HydrophobicContact CG2-CG2 4.08Å; V100-I153 HydrophobicContact CG1-CD1 4.16Å
101	R	88.1	Confident	89.2	Confident	27 Å²	27	52 Å²	52	10%	0.102	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.7	175.5	-64.4	173.4	-167.2	-91	16.6	108.6	F68 I99 E111 G121 E122 T210	F68-R101 HydrophobicContact CB-CG 3.86Å; I99-R101 HydrophobicContact CG2-CG 4.05Å; R101-E111 WeakPolarHBondContact CD-OE2 3.47Å; R101-E111 VanDerWaalsContact CZ-CD 3.42Å; R101-E111 IonicContact CZ-OE1 3.24Å; R101-E111 IonicContact CZ-OE2 3.4Å; R101-E111 IonicContact NE-OE1 2.8Å; R101-E111 PolarHBondContact NE-OE1 3.22Å; R101-E111 IonicContact NE-OE2 3.86Å; R101-E111 PolarHBondContact NE-OE2 2.83Å; R101-E111 IonicContact NH1-OE1 3.65Å; R101-E111 IonicContact NH2-OE1 3.77Å; R101-E111 PolarHBondContact NH2-OE1 2.89Å; R101-E111 IonicContact NH2-OE2 3.22Å; R101-E111 PolarHBondContact NH2-OE2 2.89Å; R101-G121 CarbonylContact O-C 3.57Å; R101-G121 WeakPolarHBondContact O-CA 3.43Å; R101-E122 PolarHBondContact N-O 2.82Å; R101-E122 PolarHBondContact O-N 2.92Å; R101-T210 PolarHBondContact NH2-O 2.82Å; R101-T210 VanDerWaalsContact NH2-O 3.1Å; R101-T210 PolarHBondContact NH2-OG1 2.91Å
102	V	83.2	Confident	89.2	Confident	37 Å²	37	48.6 Å²	48.6	22%	0.224	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	131.9	178.9	-176.6	0	0	0	0	107.6	V100 V234 F237 V238	V100-V102 HydrophobicContact CG1-CG2 4.03Å; V102-V234 HydrophobicContact CG1-CG1 3.77Å; V102-F237 HydrophobicContact CG2-CB 4.24Å; V102-V238 HydrophobicContact CB-CG2 4.4Å; V102-V238 HydrophobicContact CG1-CG2 3.9Å
103	G	80.8	Confident	89.2	Confident	9 Å²	9	42.8 Å²	42.8	9%	0.093	22%	0.219	C	C	.	.			trans	-74.5	156.8	177.8	0	0	0	0	0	111.5	K105 G109 S120	G103-K105 PolarHBondContact O-N 2.79Å; G103-G109 VanDerWaalsContact CA-CA 3.48Å; G103-S120 PolarHBondContact N-O 2.89Å
104	L	76.8	Confident	89.1	Confident	149 Å²	149	45.1 Å²	45.1	78%	0.78	23%	0.231	S	C	*	.	S	Bend	trans	-71.6	-21.2	170.2	-65.2	177.3	0	0	0	112.2	V238	L104-V238 HydrophobicContact CD2-CG1 4.23Å
105	K	77.2	Confident	89	Confident	157 Å²	157	46.7 Å²	46.7	68%	0.683	24%	0.244	S	C	*	.	S	Bend	trans	-128.7	156.2	176.6	-63.3	178.8	-178.1	178	0	108.8	G103 T108	G103-K105 PolarHBondContact O-N 2.79Å; K105-T108 HydrophobicContact CB-CG2 3.89Å; K105-T108 PolarHBondContact N-OG1 3.22Å; K105-T108 PolarHBondContact O-N 2.8Å; K105-T108 PolarHBondContact O-OG1 2.83Å
106	D	79	Confident	89	Confident	98 Å²	98	53.4 Å²	53.4	52%	0.524	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	142.8	169.1	-66.1	-12.4	0	0	0	109.1	T108	D106-T108 VanDerWaalsContact C-N 3.28Å; D106-T108 PolarHBondContact O-N 3.33Å
107	Q	83.1	Confident	88.9	Confident	129 Å²	129	58.7 Å²	58.7	60%	0.603	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	21.8	-178.1	-48.6	179.9	19.5	0	0	115.6	K118 F119	Q107-K118 VanDerWaalsContact CA-O 3.3Å; Q107-K118 WeakPolarHBondContact CA-O 3.11Å; Q107-K118 HydrophobicContact CB-CB 4.5Å; Q107-K118 WeakPolarHBondContact CB-O 3.4Å; Q107-K118 WeakPolarHBondContact CG-O 3.34Å; Q107-K118 WeakPolarHBondContact O-CB 3.47Å; Q107-F119 CarbonylContact C-O 3.46Å
108	T	85.2	Confident	88.9	Confident	83 Å²	83	60.5 Å²	60.5	51%	0.509	31%	0.306	S	S	.	.	S	Bend	trans	-124.2	10.9	175	77.3	0	0	0	0	113.8	K105 D106 F119	K105-T108 HydrophobicContact CB-CG2 3.89Å; K105-T108 PolarHBondContact N-OG1 3.22Å; K105-T108 PolarHBondContact O-N 2.8Å; K105-T108 PolarHBondContact O-OG1 2.83Å; D106-T108 VanDerWaalsContact C-N 3.28Å; D106-T108 PolarHBondContact O-N 3.33Å; T108-F119 PolarHBondContact N-O 2.95Å
109	G	87.8	Confident	88.9	Confident	11 Å²	11	62.2 Å²	62.2	11%	0.113	31%	0.313	C	S	.	.	S	Bend	trans	-107.4	-31.5	-168.8	0	0	0	0	0	115.6	G103 F119 S120	G103-G109 VanDerWaalsContact CA-CA 3.48Å; G109-F119 WeakPolarHBondContact CA-O 3.35Å; G109-F119 PolarHBondContact N-O 2.76Å; G109-S120 WeakPolarHBondContact CA-O 3.39Å
110	S	93.5	Very high	88.9	Confident	7 Å²	7	62.6 Å²	62.6	5%	0.049	32%	0.316	C	S	.	.			trans	-75.1	146.4	-178.5	68	0	0	0	0	112.6	H112 K118 F119 G121	S110-H112 VanDerWaalsContact CB-O 3.27Å; S110-H112 WeakPolarHBondContact CB-O 3.23Å; S110-H112 PolarHBondContact OG-O 3.14Å; S110-K118 WeakPolarHBondContact O-CD 3.33Å; S110-K118 PolarHBondContact O-NZ 3.48Å; S110-K118 WeakPolarHBondContact OG-CD 3.48Å; S110-F119 PolarHBondContact N-O 2.85Å; S110-F119 PolarHBondContact OG-N 2.92Å; S110-G121 WeakPolarHBondContact CB-O 3.36Å
111	E	94.4	Very high	88.9	Confident	37 Å²	37	61.6 Å²	61.6	17%	0.173	31%	0.31	C	S	.	.	S	Bend	trans	-84.8	-47.2	172.2	-73.9	-167.2	132.5	0	0	110.1	P34 R101 K118 E122 Q124 T210	P34-E111 HydrophobicContact CB-CB 3.82Å; P34-E111 VanDerWaalsContact CB-O 3.23Å; P34-E111 WeakPolarHBondContact CB-O 3.41Å; P34-E111 HydrophobicContact CG-CB 3.8Å; P34-E111 WeakPolarHBondContact CG-O 3.36Å; R101-E111 WeakPolarHBondContact CD-OE2 3.47Å; R101-E111 VanDerWaalsContact CZ-CD 3.42Å; R101-E111 IonicContact CZ-OE1 3.24Å; R101-E111 IonicContact CZ-OE2 3.4Å; R101-E111 IonicContact NE-OE1 2.8Å; R101-E111 PolarHBondContact NE-OE1 3.22Å; R101-E111 IonicContact NE-OE2 3.86Å; R101-E111 PolarHBondContact NE-OE2 2.83Å; R101-E111 IonicContact NH1-OE1 3.65Å; R101-E111 IonicContact NH2-OE1 3.77Å; R101-E111 PolarHBondContact NH2-OE1 2.89Å; R101-E111 IonicContact NH2-OE2 3.22Å; R101-E111 PolarHBondContact NH2-OE2 2.89Å; E111-K118 VanDerWaalsContact C-NZ 3.32Å; E111-K118 PolarHBondContact O-NZ 2.65Å; E111-E122 WeakPolarHBondContact CA-OE2 3.42Å; E111-E122 WeakPolarHBondContact CB-OE2 3.44Å; E111-E122 PolarHBondContact N-OE2 3.42Å; E111-Q124 PolarHBondContact OE2-NE2 2.85Å; E111-Q124 PolarHBondContact OE2-OE1 2.95Å; E111-T210 WeakPolarHBondContact OE2-CB 3.27Å; E111-T210 PolarHBondContact OE2-OG1 2.99Å
112	H	96.3	Very high	89.2	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-70.9	148.5	167.2	-67.8	87.4	0	0	0	110.6	I35 S110 E122 Y205	I35-H112 PolarHBondContact O-CD2 3.04Å; S110-H112 VanDerWaalsContact CB-O 3.27Å; S110-H112 WeakPolarHBondContact CB-O 3.23Å; S110-H112 PolarHBondContact OG-O 3.14Å; H112-E122 IonicContact CE1-OE1 3.57Å; H112-E122 IonicContact CG-OE1 2.9Å; H112-E122 PolarHBondContact N-OE2 3.4Å; H112-E122 IonicContact ND1-OE1 3.33Å; H112-E122 PolarHBondContact ND1-OE1 2.79Å; H112-E122 IonicContact ND1-OE2 3.61Å; H112-Y205 AromaticContact NE2-CE1 3.72Å; H112-Y205 AromaticContact NE2-CZ 3.62Å; H112-Y205 PolarHBondContact NE2-OH 2.96Å
113	A	96.1	Very high	89.6	Confident	4 Å²	4	58.8 Å²	58.8	3%	0.033	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	155.9	168.1	0	0	0	0	0	109	I35 N36 I37 E117 K118	I35-A113 PolarHBondContact O-N 2.74Å; N36-A113 HydrophobicContact CB-CB 4.23Å; N36-A113 VanDerWaalsContact OD1-C 3.26Å; N36-A113 WeakPolarHBondContact OD1-CB 3.38Å; N36-A113 PolarHBondContact OD1-O 3.26Å; I37-A113 PolarHBondContact N-O 3.01Å; A113-E117 CarbonylContact C-O 3.56Å; A113-E117 VanDerWaalsContact CA-O 3.25Å; A113-E117 WeakPolarHBondContact CA-O 3.3Å; A113-E117 WeakPolarHBondContact CB-O 3.2Å; A113-K118 HydrophobicContact CB-CD 3.97Å; A113-K118 HydrophobicContact CB-CG 4.49Å
114	I	95	Very high	90.3	Very high	51 Å²	51	58.3 Å²	58.3	26%	0.262	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.2	172	-57	174.2	0	0	0	106.2	I37 P39 E116 E117 F119	I37-I114 WeakPolarHBondContact O-CA 3.38Å; P39-I114 HydrophobicContact CG-CG2 4.15Å; I114-E116 PolarHBondContact O-N 2.77Å; I114-E117 PolarHBondContact N-O 3.4Å; I114-E117 WeakPolarHBondContact O-CB 3.29Å; I114-E117 PolarHBondContact O-N 3.22Å; I114-F119 HydrophobicContact CB-CE2 4.1Å; I114-F119 HydrophobicContact CD1-CE2 3.77Å; I114-F119 HydrophobicContact CD1-CZ 4.03Å; I114-F119 HydrophobicContact CG1-CE2 3.98Å
115	D	94.8	Very high	91.2	Very high	99 Å²	99	51.2 Å²	51.2	53%	0.529	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	42.9	-174.5	-158.1	29.7	0	0	0	113.1	N36 I37 E117	N36-D115 PolarHBondContact OD1-N 3.06Å; I37-D115 PolarHBondContact O-N 3.43Å; D115-E117 PolarHBondContact O-N 3.14Å
116	E	94.4	Very high	92.2	Very high	144 Å²	144	43.8 Å²	43.8	67%	0.673	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.1	-2.7	-174.7	-55.6	-62.9	153.9	0	0	114.8	N36 I114	N36-E116 PolarHBondContact ND2-N 3.09Å; N36-E116 PolarHBondContact ND2-OE1 3.13Å; N36-E116 PolarHBondContact OD1-N 3.3Å; I114-E116 PolarHBondContact O-N 2.77Å
117	E	94.2	Very high	93	Very high	126 Å²	126	39.1 Å²	39.1	59%	0.589	20%	0.197	S	C	*	.	B	Isolated β-bridge	trans	-84.1	133.8	175.6	-60.2	-166.7	157.9	0	0	111.7	A113 I114 D115	A113-E117 CarbonylContact C-O 3.56Å; A113-E117 VanDerWaalsContact CA-O 3.25Å; A113-E117 WeakPolarHBondContact CA-O 3.3Å; A113-E117 WeakPolarHBondContact CB-O 3.2Å; I114-E117 PolarHBondContact N-O 3.4Å; I114-E117 WeakPolarHBondContact O-CB 3.29Å; I114-E117 PolarHBondContact O-N 3.22Å; D115-E117 PolarHBondContact O-N 3.14Å
118	K	94.6	Very high	93.7	Very high	75 Å²	75	33.6 Å²	33.6	33%	0.326	17%	0.171	S	C	.	.			trans	-99.4	154.7	176.7	-71.4	-71.3	-167.7	162.4	0	110.3	Q107 S110 E111 A113	Q107-K118 VanDerWaalsContact CA-O 3.3Å; Q107-K118 WeakPolarHBondContact CA-O 3.11Å; Q107-K118 HydrophobicContact CB-CB 4.5Å; Q107-K118 WeakPolarHBondContact CB-O 3.4Å; Q107-K118 WeakPolarHBondContact CG-O 3.34Å; Q107-K118 WeakPolarHBondContact O-CB 3.47Å; S110-K118 WeakPolarHBondContact O-CD 3.33Å; S110-K118 PolarHBondContact O-NZ 3.48Å; S110-K118 WeakPolarHBondContact OG-CD 3.48Å; E111-K118 VanDerWaalsContact C-NZ 3.32Å; E111-K118 PolarHBondContact O-NZ 2.65Å; A113-K118 HydrophobicContact CB-CD 3.97Å; A113-K118 HydrophobicContact CB-CG 4.49Å
119	F	92.5	Very high	94.3	Very high	40 Å²	40	29.6 Å²	29.6	18%	0.175	15%	0.146	C	C	.	.			trans	-110.2	170.9	179.5	-68	-98.4	0	0	0	111	Q107 T108 G109 S110 I114 G121 V152	Q107-F119 CarbonylContact C-O 3.46Å; T108-F119 PolarHBondContact N-O 2.95Å; G109-F119 WeakPolarHBondContact CA-O 3.35Å; G109-F119 PolarHBondContact N-O 2.76Å; S110-F119 PolarHBondContact N-O 2.85Å; S110-F119 PolarHBondContact OG-N 2.92Å; I114-F119 HydrophobicContact CB-CE2 4.1Å; I114-F119 HydrophobicContact CD1-CE2 3.77Å; I114-F119 HydrophobicContact CD1-CZ 4.03Å; I114-F119 HydrophobicContact CG1-CE2 3.98Å; F119-G121 PolarHBondContact O-N 2.85Å; F119-V152 HydrophobicContact CB-CB 3.79Å; F119-V152 HydrophobicContact CB-CG1 4.28Å; F119-V152 HydrophobicContact CD1-CB 4.06Å; F119-V152 HydrophobicContact CD1-CG2 3.83Å; F119-V152 HydrophobicContact CD2-CB 3.75Å; F119-V152 HydrophobicContact CD2-CG1 3.64Å; F119-V152 HydrophobicContact CD2-CG2 3.96Å; F119-V152 HydrophobicContact CE1-CG2 3.98Å; F119-V152 HydrophobicContact CE2-CB 4.37Å; F119-V152 HydrophobicContact CE2-CG1 4.21Å; F119-V152 HydrophobicContact CE2-CG2 4.12Å; F119-V152 HydrophobicContact CG-CB 3.58Å; F119-V152 HydrophobicContact CG-CG1 4.01Å; F119-V152 HydrophobicContact CG-CG2 3.82Å; F119-V152 HydrophobicContact CZ-CG2 4.13Å
120	S	90.4	Very high	94.7	Very high	10 Å²	10	30.8 Å²	30.8	7%	0.07	15%	0.15	C	C	.	.	S	Bend	trans	-69.1	-17.6	-175.4	-54.2	0	0	0	0	112.7	G103 G109 I153	G103-S120 PolarHBondContact N-O 2.89Å; G109-S120 WeakPolarHBondContact CA-O 3.39Å; S120-I153 WeakPolarHBondContact CB-O 3.3Å; S120-I153 PolarHBondContact N-O 3.3Å
121	G	90.3	Very high	94.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	-175.1	174.3	0	0	0	0	0	111.6	R101 S110 F119 I153	R101-G121 CarbonylContact O-C 3.57Å; R101-G121 WeakPolarHBondContact O-CA 3.43Å; S110-G121 WeakPolarHBondContact CB-O 3.36Å; F119-G121 PolarHBondContact O-N 2.85Å; G121-I153 PolarHBondContact N-O 2.83Å; G121-I153 PolarHBondContact O-N 2.89Å
122	E	92.9	Very high	95	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	138.6	174.5	-172.2	176.2	149.7	0	0	109.6	R101 E111 H112 Q124 S150 A151	R101-E122 PolarHBondContact N-O 2.82Å; R101-E122 PolarHBondContact O-N 2.92Å; E111-E122 WeakPolarHBondContact CA-OE2 3.42Å; E111-E122 WeakPolarHBondContact CB-OE2 3.44Å; E111-E122 PolarHBondContact N-OE2 3.42Å; H112-E122 IonicContact CE1-OE1 3.57Å; H112-E122 IonicContact CG-OE1 2.9Å; H112-E122 PolarHBondContact N-OE2 3.4Å; H112-E122 IonicContact ND1-OE1 3.33Å; H112-E122 PolarHBondContact ND1-OE1 2.79Å; H112-E122 IonicContact ND1-OE2 3.61Å; E122-Q124 HydrophobicContact CG-CG 4.12Å; E122-Q124 WeakPolarHBondContact OE1-CG 3.47Å; E122-Q124 PolarHBondContact OE1-NE2 3.1Å; E122-S150 VanDerWaalsContact CG-OG 3.3Å; E122-S150 WeakPolarHBondContact CG-OG 3.33Å; E122-S150 PolarHBondContact OE1-OG 3.24Å; E122-A151 WeakPolarHBondContact CA-O 3.45Å
123	V	91.9	Very high	95	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.03	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.3	167.1	60.2	0	0	0	0	108.7	V98 I99 V100 I125 S150 A151 L195 V227	V98-V123 HydrophobicContact CG1-CG2 3.7Å; I99-V123 WeakPolarHBondContact O-CA 3.31Å; V100-V123 HydrophobicContact CG2-CG2 4.08Å; V123-I125 HydrophobicContact CG2-CG1 4.26Å; V123-S150 WeakPolarHBondContact O-CA 3.44Å; V123-A151 HydrophobicContact CG1-CB 3.87Å; V123-A151 WeakPolarHBondContact CG1-O 3.27Å; V123-A151 PolarHBondContact N-O 3.48Å; V123-A151 PolarHBondContact O-N 3.38Å; V123-L195 WeakPolarHBondContact CG1-O 3.11Å; V123-L195 HydrophobicContact CG2-CB 4.43Å; V123-V227 HydrophobicContact CG1-CG2 4.22Å
124	Q	96.2	Very high	95	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123	177.7	-68.2	167.7	-17.4	0	0	108.5	V98 I99 E111 E122 Y126 L149 T210 W220	V98-Q124 CarbonylContact C-O 3.51Å; V98-Q124 WeakPolarHBondContact CA-O 3.08Å; I99-Q124 HydrophobicContact CB-CB 4.33Å; I99-Q124 PolarHBondContact N-O 3.06Å; I99-Q124 PolarHBondContact O-N 3.03Å; E111-Q124 PolarHBondContact OE2-NE2 2.85Å; E111-Q124 PolarHBondContact OE2-OE1 2.95Å; E122-Q124 HydrophobicContact CG-CG 4.12Å; E122-Q124 WeakPolarHBondContact OE1-CG 3.47Å; E122-Q124 PolarHBondContact OE1-NE2 3.1Å; Q124-Y126 HydrophobicContact CB-CE2 3.77Å; Q124-Y126 PolarHBondContact OE1-OH 3.17Å; Q124-L149 CarbonylContact C-O 3.53Å; Q124-L149 VanDerWaalsContact CA-O 3.31Å; Q124-L149 WeakPolarHBondContact CA-O 3.47Å; Q124-T210 PolarHBondContact OE1-OG1 2.8Å; Q124-W220 HydrophobicContact CB-CH2 4.18Å; Q124-W220 HydrophobicContact CB-CZ3 4.34Å; Q124-W220 HydrophobicContact CG-CH2 3.86Å; Q124-W220 HydrophobicContact CG-CZ3 4.05Å
125	I	95.4	Very high	95	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.2	179.3	-56	167.9	0	0	0	107.3	L95 V98 V123 L149 I192 L195 L196	L95-I125 HydrophobicContact CD1-CG2 3.87Å; L95-I125 HydrophobicContact CD2-CG2 3.67Å; L95-I125 HydrophobicContact CG-CG2 4.3Å; V98-I125 HydrophobicContact CG1-CG1 4.04Å; V98-I125 HydrophobicContact CG2-CG1 4.06Å; V98-I125 HydrophobicContact CG2-CG2 4.24Å; V123-I125 HydrophobicContact CG2-CG1 4.26Å; I125-L149 HydrophobicContact CB-CB 4.19Å; I125-L149 HydrophobicContact CB-CD1 4.46Å; I125-L149 HydrophobicContact CG2-CD1 4.49Å; I125-L149 PolarHBondContact N-O 2.62Å; I125-L149 PolarHBondContact O-N 2.82Å; I125-I192 HydrophobicContact CD1-CG2 3.94Å; I125-L195 HydrophobicContact CD1-CB 4.23Å; I125-L196 HydrophobicContact CD1-CD1 4.23Å; I125-L196 HydrophobicContact CD1-CD2 3.76Å; I125-L196 HydrophobicContact CD1-CG 3.86Å
126	Y	97.4	Very high	95.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.7	-179.1	-62.2	-89.6	0	0	0	111.1	S96 K97 I99 Q124 A147 L209 T210 F211 W220	S96-Y126 PolarHBondContact N-O 3.42Å; K97-Y126 PolarHBondContact N-O 2.92Å; K97-Y126 PolarHBondContact O-N 2.77Å; I99-Y126 HydrophobicContact CB-CE2 4.47Å; I99-Y126 HydrophobicContact CD1-CE2 3.86Å; I99-Y126 HydrophobicContact CG1-CE2 4.24Å; Q124-Y126 HydrophobicContact CB-CE2 3.77Å; Q124-Y126 PolarHBondContact OE1-OH 3.17Å; Y126-A147 CarbonylContact C-O 3.59Å; Y126-A147 WeakPolarHBondContact CA-O 3.21Å; Y126-L209 HydrophobicContact CD1-CD2 4.05Å; Y126-L209 HydrophobicContact CE1-CD2 3.68Å; Y126-T210 PolarHBondContact OH-OG1 3.29Å; Y126-F211 HydrophobicContact CE2-CE1 4.12Å; Y126-W220 AromaticContact CE1-CH2 3.63Å; Y126-W220 HydrophobicContact CE1-CH2 3.63Å; Y126-W220 AromaticContact CE1-CZ2 3.82Å; Y126-W220 HydrophobicContact CE1-CZ2 3.82Å; Y126-W220 HydrophobicContact CE1-CZ3 4.47Å; Y126-W220 AromaticContact CZ-CH2 3.58Å; Y126-W220 VanDerWaalsContact OH-CH2 3.28Å; Y126-W220 WeakPolarHBondContact OH-CH2 3.46Å
127	G	97.2	Very high	95.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	158.6	165	0	0	0	0	0	111.9	R94 L146 A147	R94-G127 CarbonylContact O-C 3.55Å; R94-G127 WeakPolarHBondContact O-CA 3.45Å; G127-L146 CarbonylContact O-C 3.45Å; G127-L146 VanDerWaalsContact O-CA 3.27Å; G127-L146 WeakPolarHBondContact O-CA 3.27Å; G127-A147 PolarHBondContact N-O 2.82Å; G127-A147 PolarHBondContact O-N 3.14Å
128	Y	97.8	Very high	95.2	Very high	13 Å²	13	38.9 Å²	38.9	5%	0.051	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	148.3	175.4	70.1	-82.4	0	0	0	111.2	Y93 R94 I130 F136 G145	Y93-Y128 CarbonylContact C-O 3.57Å; Y93-Y128 WeakPolarHBondContact CA-O 3Å; R94-Y128 HydrophobicContact CB-CE1 4.04Å; R94-Y128 HydrophobicContact CG-CE1 4.16Å; R94-Y128 PolarHBondContact N-O 2.9Å; R94-Y128 PolarHBondContact NH1-OH 3.24Å; R94-Y128 WeakPolarHBondContact O-CD1 3.49Å; R94-Y128 PolarHBondContact O-N 3.33Å; Y128-I130 HydrophobicContact CD2-CG2 4.18Å; Y128-I130 HydrophobicContact CE2-CG2 3.63Å; Y128-I130 PolarHBondContact O-N 3.15Å; Y128-I130 VanDerWaalsContact O-N 3.14Å; Y128-F136 HydrophobicContact CD1-CB 4.06Å; Y128-F136 HydrophobicContact CD1-CD2 4.36Å; Y128-F136 HydrophobicContact CG-CB 4.32Å; Y128-G145 WeakPolarHBondContact CA-O 3.4Å
129	N	97.7	Very high	95.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	108.9	-179.5	-173.2	-30.6	0	0	0	110.6	Y91 R92 Y93 D131 L132 Y133 N144 G145	Y91-N129 WeakPolarHBondContact CB-ND2 3.45Å; Y91-N129 VanDerWaalsContact CG-ND2 3.26Å; R92-N129 WeakPolarHBondContact O-CA 3.38Å; Y93-N129 HydrophobicContact CD1-CB 3.99Å; Y93-N129 HydrophobicContact CE1-CB 3.57Å; N129-D131 VanDerWaalsContact C-N 3.33Å; N129-D131 PolarHBondContact OD1-N 2.77Å; N129-L132 WeakPolarHBondContact ND2-CD1 3.22Å; N129-L132 PolarHBondContact OD1-N 2.88Å; N129-L132 VanDerWaalsContact OD1-N 3.15Å; N129-Y133 HydrophobicContact CB-CD2 3.96Å; N129-Y133 HydrophobicContact CB-CE2 4.24Å; N129-Y133 PolarHBondContact O-N 3.06Å; N129-N144 VanDerWaalsContact CB-O 3.26Å; N129-N144 WeakPolarHBondContact CB-O 3.48Å; N129-N144 PolarHBondContact ND2-O 3.2Å; N129-G145 PolarHBondContact N-O 3.15Å
130	I	96.4	Very high	95.5	Very high	36 Å²	36	35.3 Å²	35.3	19%	0.185	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-15.5	-178.2	53.8	164.9	0	0	0	113.3	T82 R92 R94 Y128	T82-I130 HydrophobicContact CG2-CD1 4.37Å; R92-I130 HydrophobicContact CB-CD1 3.9Å; R92-I130 HydrophobicContact CB-CG1 3.86Å; R92-I130 VanDerWaalsContact O-CG1 3.28Å; R92-I130 WeakPolarHBondContact O-CG1 3.48Å; R92-I130 PolarHBondContact O-N 2.83Å; R94-I130 HydrophobicContact CB-CG2 3.32Å; R94-I130 HydrophobicContact CG-CG2 4.46Å; Y128-I130 HydrophobicContact CD2-CG2 4.18Å; Y128-I130 HydrophobicContact CE2-CG2 3.63Å; Y128-I130 PolarHBondContact O-N 3.15Å; Y128-I130 VanDerWaalsContact O-N 3.14Å
131	D	96.3	Very high	95.7	Very high	68 Å²	68	41.4 Å²	41.4	36%	0.364	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-21.7	179.3	-57.9	-42.4	0	0	0	111.1	Y91 R92 N129	Y91-D131 WeakPolarHBondContact CA-OD2 3.28Å; Y91-D131 HydrophobicContact CD1-CB 4.12Å; R92-D131 IonicContact CZ-OD1 2.75Å; R92-D131 PolarHBondContact N-OD2 2.8Å; R92-D131 IonicContact NE-OD1 2.77Å; R92-D131 PolarHBondContact NE-OD1 2.79Å; R92-D131 IonicContact NE-OD2 3.43Å; R92-D131 IonicContact NH2-OD1 2.67Å; R92-D131 PolarHBondContact NH2-OD1 3.25Å; N129-D131 VanDerWaalsContact C-N 3.33Å; N129-D131 PolarHBondContact OD1-N 2.77Å
132	L	97	Very high	95.9	Very high	79 Å²	79	45.6 Å²	45.6	41%	0.414	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-30.8	-178.5	-60.8	-176.6	0	0	0	114.5	Y91 N129 N144	Y91-L132 HydrophobicContact CD1-CG 4.38Å; Y91-L132 HydrophobicContact CE1-CD1 4.04Å; Y91-L132 HydrophobicContact CE1-CD2 4.03Å; Y91-L132 HydrophobicContact CE1-CG 4.01Å; Y91-L132 HydrophobicContact CE2-CD1 4.45Å; N129-L132 WeakPolarHBondContact ND2-CD1 3.22Å; N129-L132 PolarHBondContact OD1-N 2.88Å; N129-L132 VanDerWaalsContact OD1-N 3.15Å; L132-N144 HydrophobicContact CD1-CB 4.35Å
133	Y	97.3	Very high	96	Very high	43 Å²	43	49.8 Å²	49.8	17%	0.169	25%	0.246	C	C	.	.			trans	-130.1	148.3	-169.3	-51	-66.2	0	0	0	112.8	N129 A139 M142 P143	N129-Y133 HydrophobicContact CB-CD2 3.96Å; N129-Y133 HydrophobicContact CB-CE2 4.24Å; N129-Y133 PolarHBondContact O-N 3.06Å; Y133-A139 HydrophobicContact CD2-CB 3.51Å; Y133-A139 HydrophobicContact CE2-CB 4.38Å; Y133-A139 HydrophobicContact CG-CB 3.75Å; Y133-M142 HydrophobicContact CD1-CB 4.32Å; Y133-M142 HydrophobicContact CD1-CG 4.33Å; Y133-M142 HydrophobicContact CE1-CB 3.44Å; Y133-M142 VanDerWaalsContact CE1-CB 3.44Å; Y133-M142 HydrophobicContact CE1-CE 4.44Å; Y133-M142 HydrophobicContact CE1-CG 3.72Å; Y133-M142 HydrophobicContact CE2-CB 4.14Å; Y133-M142 WeakPolarHBondContact OH-CB 3.44Å; Y133-P143 PolarHBondContact OH-O 3.44Å
134	R	95.5	Very high	96.1	Very high	222 Å²	222	53 Å²	53	84%	0.838	26%	0.263	S	S	*	.	S	Bend	trans	-74.9	-31	-175.4	-59.6	-177.6	81.7	174	5.3	112.9
135	N	95.2	Very high	96.2	Very high	60 Å²	60	53 Å²	53	32%	0.321	26%	0.263	S	S	.	.	S	Bend	trans	-157.8	171.3	-175.3	61	67.5	0	0	0	110.6	S137 D138 A139	N135-S137 VanDerWaalsContact C-N 3.35Å; N135-S137 PolarHBondContact O-N 3.43Å; N135-S137 WeakPolarHBondContact OD1-CA 3.43Å; N135-S137 WeakPolarHBondContact OD1-CB 2.99Å; N135-S137 PolarHBondContact OD1-N 3.19Å; N135-D138 PolarHBondContact ND2-OD2 3.34Å; N135-D138 PolarHBondContact O-N 2.69Å; N135-D138 PolarHBondContact OD1-N 2.87Å; N135-A139 WeakPolarHBondContact O-CB 3.41Å; N135-A139 PolarHBondContact O-N 2.79Å; N135-A139 VanDerWaalsContact O-N 3.14Å
136	F	96.2	Very high	96.3	Very high	13 Å²	13	53 Å²	53	6%	0.057	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-40.3	179.6	-172.4	-85.7	0	0	0	113.5	K97 Y128 D138 A139 M140 L146	K97-F136 HydrophobicContact CD-CD1 4.49Å; K97-F136 HydrophobicContact CD-CE1 4.19Å; K97-F136 HydrophobicContact CD-CZ 4.27Å; Y128-F136 HydrophobicContact CD1-CB 4.06Å; Y128-F136 HydrophobicContact CD1-CD2 4.36Å; Y128-F136 HydrophobicContact CG-CB 4.32Å; F136-D138 VanDerWaalsContact C-N 3.34Å; F136-D138 PolarHBondContact O-N 3.43Å; F136-A139 PolarHBondContact O-N 3.06Å; F136-M140 HydrophobicContact CD1-CB 4.5Å; F136-M140 HydrophobicContact CE1-CB 4.22Å; F136-M140 HydrophobicContact CE1-SD 4.46Å; F136-M140 WeakPolarHBondContact O-CB 3.33Å; F136-M140 PolarHBondContact O-N 2.87Å; F136-L146 HydrophobicContact CD2-CD2 3.75Å; F136-L146 HydrophobicContact CE1-CD1 4.44Å; F136-L146 HydrophobicContact CE2-CD1 4.1Å; F136-L146 HydrophobicContact CE2-CD2 3.47Å; F136-L146 VanDerWaalsContact CE2-CD2 3.47Å; F136-L146 HydrophobicContact CE2-CG 4.41Å; F136-L146 HydrophobicContact CG-CD2 4.4Å; F136-L146 HydrophobicContact CZ-CD1 3.78Å; F136-L146 HydrophobicContact CZ-CD2 3.93Å
137	S	95.4	Very high	96.3	Very high	75 Å²	75	53 Å²	53	52%	0.524	26%	0.263	S	S	.	.	H	α-helix	trans	-67	-33.9	-176.9	-60.7	0	0	0	0	113.1	N135 M140	N135-S137 VanDerWaalsContact C-N 3.35Å; N135-S137 PolarHBondContact O-N 3.43Å; N135-S137 WeakPolarHBondContact OD1-CA 3.43Å; N135-S137 WeakPolarHBondContact OD1-CB 2.99Å; N135-S137 PolarHBondContact OD1-N 3.19Å; S137-M140 WeakPolarHBondContact O-CG 3.42Å
138	D	96.3	Very high	96.3	Very high	77 Å²	77	53 Å²	53	41%	0.412	26%	0.263	S	S	.	.	H	α-helix	trans	-72.9	-45	173.3	-64.5	-20.5	0	0	0	110.3	N135 F136 M140 M142	N135-D138 PolarHBondContact ND2-OD2 3.34Å; N135-D138 PolarHBondContact O-N 2.69Å; N135-D138 PolarHBondContact OD1-N 2.87Å; F136-D138 VanDerWaalsContact C-N 3.34Å; F136-D138 PolarHBondContact O-N 3.43Å; D138-M140 PolarHBondContact O-N 2.86Å; D138-M142 VanDerWaalsContact O-CG 3.27Å; D138-M142 WeakPolarHBondContact O-CG 3.3Å
139	A	97.5	Very high	96.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-37.2	-177	0	0	0	0	0	113	Y133 N135 F136 K141 M142 G145 L146	Y133-A139 HydrophobicContact CD2-CB 3.51Å; Y133-A139 HydrophobicContact CE2-CB 4.38Å; Y133-A139 HydrophobicContact CG-CB 3.75Å; N135-A139 WeakPolarHBondContact O-CB 3.41Å; N135-A139 PolarHBondContact O-N 2.79Å; N135-A139 VanDerWaalsContact O-N 3.14Å; F136-A139 PolarHBondContact O-N 3.06Å; A139-K141 PolarHBondContact O-N 2.9Å; A139-M142 PolarHBondContact O-N 3.46Å; A139-G145 WeakPolarHBondContact CB-O 3.37Å; A139-G145 VanDerWaalsContact O-CA 3.3Å; A139-G145 WeakPolarHBondContact O-CA 3.4Å; A139-L146 HydrophobicContact CB-CD2 4.03Å
140	M	95.8	Very high	96.2	Very high	40 Å²	40	52.4 Å²	52.4	20%	0.197	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.3	-171.7	77.2	-175.9	-169.1	0	0	114.2	F136 S137 D138 L146 L209 H215 S217	F136-M140 HydrophobicContact CD1-CB 4.5Å; F136-M140 HydrophobicContact CE1-CB 4.22Å; F136-M140 HydrophobicContact CE1-SD 4.46Å; F136-M140 WeakPolarHBondContact O-CB 3.33Å; F136-M140 PolarHBondContact O-N 2.87Å; S137-M140 WeakPolarHBondContact O-CG 3.42Å; D138-M140 PolarHBondContact O-N 2.86Å; M140-L146 HydrophobicContact CB-CD1 3.84Å; M140-L146 HydrophobicContact CB-CD2 4.45Å; M140-L146 HydrophobicContact CB-CG 4.41Å; M140-L209 HydrophobicContact CB-CD1 4.29Å; M140-H215 WeakPolarHBondContact O-CB 3.31Å; M140-S217 WeakPolarHBondContact O-CB 3.4Å; M140-S217 PolarHBondContact O-OG 3.07Å
141	K	93.9	Very high	96.1	Very high	138 Å²	138	50.7 Å²	50.7	60%	0.6	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	1	-179.8	-60.1	-177.9	-176.5	176.5	0	113.4	A139	A139-K141 PolarHBondContact O-N 2.9Å
142	M	95.7	Very high	96	Very high	89 Å²	89	47.7 Å²	47.7	44%	0.438	24%	0.236	S	C	.	.	S	Bend	trans	-122	152.8	-166	-58.9	-63.1	-67.2	0	0	111.7	Y133 D138 A139 G145 S217	Y133-M142 HydrophobicContact CD1-CB 4.32Å; Y133-M142 HydrophobicContact CD1-CG 4.33Å; Y133-M142 HydrophobicContact CE1-CB 3.44Å; Y133-M142 VanDerWaalsContact CE1-CB 3.44Å; Y133-M142 HydrophobicContact CE1-CE 4.44Å; Y133-M142 HydrophobicContact CE1-CG 3.72Å; Y133-M142 HydrophobicContact CE2-CB 4.14Å; Y133-M142 WeakPolarHBondContact OH-CB 3.44Å; D138-M142 VanDerWaalsContact O-CG 3.27Å; D138-M142 WeakPolarHBondContact O-CG 3.3Å; A139-M142 PolarHBondContact O-N 3.46Å; M142-G145 WeakPolarHBondContact O-CA 3.48Å; M142-G145 PolarHBondContact O-N 3.15Å; M142-G145 VanDerWaalsContact O-N 3.14Å; M142-S217 WeakPolarHBondContact O-CB 3.37Å
143	P	93.3	Very high	95.7	Very high	88 Å²	88	44.2 Å²	44.2	57%	0.571	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	147.2	177.5	-23.3	33.9	0	0	0	112.8	Y133 G145	Y133-P143 PolarHBondContact OH-O 3.44Å; P143-G145 PolarHBondContact O-N 2.99Å
144	N	94.7	Very high	95.2	Very high	72 Å²	72	45.9 Å²	45.9	39%	0.385	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	22.8	-173.9	-52.5	-59	0	0	0	113	Y91 Y93 N129 L132	Y91-N144 HydrophobicContact CE2-CB 4.35Å; Y93-N144 WeakPolarHBondContact CE1-O 3.37Å; Y93-N144 PolarHBondContact OH-O 2.77Å; N129-N144 VanDerWaalsContact CB-O 3.26Å; N129-N144 WeakPolarHBondContact CB-O 3.48Å; N129-N144 PolarHBondContact ND2-O 3.2Å; L132-N144 HydrophobicContact CD1-CB 4.35Å
145	G	97.6	Very high	94.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.			trans	-67.1	-49.3	-170.4	0	0	0	0	0	112.6	Y128 N129 A139 M142 P143	Y128-G145 WeakPolarHBondContact CA-O 3.4Å; N129-G145 PolarHBondContact N-O 3.15Å; A139-G145 WeakPolarHBondContact CB-O 3.37Å; A139-G145 VanDerWaalsContact O-CA 3.3Å; A139-G145 WeakPolarHBondContact O-CA 3.4Å; M142-G145 WeakPolarHBondContact O-CA 3.48Å; M142-G145 PolarHBondContact O-N 3.15Å; M142-G145 VanDerWaalsContact O-N 3.14Å; P143-G145 PolarHBondContact O-N 2.99Å
146	L	98.1	Very high	93.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.2	-167.9	-55.9	-178	0	0	0	112.3	G127 F136 A139 M140 L209 S217 V218 T219	G127-L146 CarbonylContact O-C 3.45Å; G127-L146 VanDerWaalsContact O-CA 3.27Å; G127-L146 WeakPolarHBondContact O-CA 3.27Å; F136-L146 HydrophobicContact CD2-CD2 3.75Å; F136-L146 HydrophobicContact CE1-CD1 4.44Å; F136-L146 HydrophobicContact CE2-CD1 4.1Å; F136-L146 HydrophobicContact CE2-CD2 3.47Å; F136-L146 VanDerWaalsContact CE2-CD2 3.47Å; F136-L146 HydrophobicContact CE2-CG 4.41Å; F136-L146 HydrophobicContact CG-CD2 4.4Å; F136-L146 HydrophobicContact CZ-CD1 3.78Å; F136-L146 HydrophobicContact CZ-CD2 3.93Å; A139-L146 HydrophobicContact CB-CD2 4.03Å; M140-L146 HydrophobicContact CB-CD1 3.84Å; M140-L146 HydrophobicContact CB-CD2 4.45Å; M140-L146 HydrophobicContact CB-CG 4.41Å; L146-L209 HydrophobicContact CD1-CD1 4.34Å; L146-L209 HydrophobicContact CD1-CD2 3.58Å; L146-L209 HydrophobicContact CD1-CG 4.15Å; L146-S217 WeakPolarHBondContact CB-O 3.33Å; L146-S217 PolarHBondContact N-O 2.98Å; L146-V218 HydrophobicContact CB-CG2 4.08Å; L146-V218 HydrophobicContact CD1-CG2 4.01Å; L146-T219 PolarHBondContact O-N 3.06Å
147	A	97.8	Very high	91.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.5	164.3	0	0	0	0	0	108	I83 F88 Y93 Y126 G127	I83-A147 HydrophobicContact CD1-CB 4.17Å; F88-A147 HydrophobicContact CE1-CB 3.85Å; F88-A147 HydrophobicContact CE2-CB 3.65Å; F88-A147 HydrophobicContact CZ-CB 3.28Å; Y93-A147 HydrophobicContact CD1-CB 3.46Å; Y93-A147 VanDerWaalsContact CD1-CB 3.46Å; Y93-A147 HydrophobicContact CD2-CB 4.15Å; Y93-A147 HydrophobicContact CE1-CB 4.01Å; Y93-A147 HydrophobicContact CG-CB 3.55Å; Y126-A147 CarbonylContact C-O 3.59Å; Y126-A147 WeakPolarHBondContact CA-O 3.21Å; G127-A147 PolarHBondContact N-O 2.82Å; G127-A147 PolarHBondContact O-N 3.14Å
148	G	97.4	Very high	89.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.3	174.2	0	0	0	0	0	110.4	T219 W220 L221	G148-T219 PolarHBondContact N-O 3.14Å; G148-W220 CarbonylContact O-C 3.58Å; G148-W220 WeakPolarHBondContact O-CA 3.47Å; G148-L221 PolarHBondContact O-N 2.89Å
149	L	96.6	Very high	87.3	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	130.2	165.8	-65.5	155.2	0	0	0	108	L51 I53 I83 Q124 I125 L221 M223	L51-L149 HydrophobicContact CD2-CD2 3.62Å; I53-L149 HydrophobicContact CD1-CD1 3.76Å; I53-L149 HydrophobicContact CD1-CD2 4.36Å; I83-L149 HydrophobicContact CD1-CD1 3.43Å; I83-L149 VanDerWaalsContact CD1-CD1 3.43Å; I83-L149 HydrophobicContact CD1-CG 3.98Å; I83-L149 HydrophobicContact CG1-CD1 3.97Å; Q124-L149 CarbonylContact C-O 3.53Å; Q124-L149 VanDerWaalsContact CA-O 3.31Å; Q124-L149 WeakPolarHBondContact CA-O 3.47Å; I125-L149 HydrophobicContact CB-CB 4.19Å; I125-L149 HydrophobicContact CB-CD1 4.46Å; I125-L149 HydrophobicContact CG2-CD1 4.49Å; I125-L149 PolarHBondContact N-O 2.62Å; I125-L149 PolarHBondContact O-N 2.82Å; L149-L221 CarbonylContact C-O 3.39Å; L149-L221 WeakPolarHBondContact CA-O 3.21Å; L149-L221 HydrophobicContact CD2-CB 3.78Å; L149-L221 HydrophobicContact CD2-CD1 3.69Å; L149-L221 HydrophobicContact CD2-CG 4.38Å; L149-M223 HydrophobicContact CD2-SD 4.44Å
150	S	96.9	Very high	84.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.1	173.8	175.4	0	0	0	0	111	E122 V123 L221 M223	E122-S150 VanDerWaalsContact CG-OG 3.3Å; E122-S150 WeakPolarHBondContact CG-OG 3.33Å; E122-S150 PolarHBondContact OE1-OG 3.24Å; V123-S150 WeakPolarHBondContact O-CA 3.44Å; S150-L221 PolarHBondContact N-O 3.1Å; S150-M223 WeakPolarHBondContact O-CG 3.27Å; S150-M223 PolarHBondContact O-N 2.75Å
151	A	94.4	Very high	82.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	131.7	167.1	0	0	0	0	0	109.8	E122 V123 P197 M223 V227	E122-A151 WeakPolarHBondContact CA-O 3.45Å; V123-A151 HydrophobicContact CG1-CB 3.87Å; V123-A151 WeakPolarHBondContact CG1-O 3.27Å; V123-A151 PolarHBondContact N-O 3.48Å; V123-A151 PolarHBondContact O-N 3.38Å; A151-P197 HydrophobicContact CB-CG 4.18Å; A151-M223 HydrophobicContact CB-CB 4.03Å; A151-M223 HydrophobicContact CB-CG 4.13Å; A151-V227 HydrophobicContact CB-CG2 3.93Å
152	V	94.1	Very high	80	Confident	4 Å²	4	62 Å²	62	2%	0.024	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	153.1	173.3	-65.5	0	0	0	0	110.6	F119 P226 V227	F119-V152 HydrophobicContact CB-CB 3.79Å; F119-V152 HydrophobicContact CB-CG1 4.28Å; F119-V152 HydrophobicContact CD1-CB 4.06Å; F119-V152 HydrophobicContact CD1-CG2 3.83Å; F119-V152 HydrophobicContact CD2-CB 3.75Å; F119-V152 HydrophobicContact CD2-CG1 3.64Å; F119-V152 HydrophobicContact CD2-CG2 3.96Å; F119-V152 HydrophobicContact CE1-CG2 3.98Å; F119-V152 HydrophobicContact CE2-CB 4.37Å; F119-V152 HydrophobicContact CE2-CG1 4.21Å; F119-V152 HydrophobicContact CE2-CG2 4.12Å; F119-V152 HydrophobicContact CG-CB 3.58Å; F119-V152 HydrophobicContact CG-CG1 4.01Å; F119-V152 HydrophobicContact CG-CG2 3.82Å; F119-V152 HydrophobicContact CZ-CG2 4.13Å; V152-P226 HydrophobicContact CG2-CB 4.03Å; V152-P226 CarbonylContact O-C 3.54Å; V152-P226 WeakPolarHBondContact O-CA 3.06Å; V152-V227 PolarHBondContact O-N 3.43Å
153	I	89.2	Confident	77.6	Confident	7 Å²	7	61.6 Å²	61.6	4%	0.036	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.7	-178.7	-62.3	174.8	0	0	0	109.5	V100 S120 G121 V227 I229	V100-I153 HydrophobicContact CG1-CD1 4.16Å; S120-I153 WeakPolarHBondContact CB-O 3.3Å; S120-I153 PolarHBondContact N-O 3.3Å; G121-I153 PolarHBondContact N-O 2.83Å; G121-I153 PolarHBondContact O-N 2.89Å; I153-V227 WeakPolarHBondContact CA-O 3.02Å; I153-V227 HydrophobicContact CG1-CB 4.4Å; I153-I229 HydrophobicContact CG2-CB 4.41Å; I153-I229 HydrophobicContact CG2-CD1 3.28Å; I153-I229 HydrophobicContact CG2-CG1 3.45Å; I153-I229 VanDerWaalsContact CG2-CG1 3.45Å; I153-I229 HydrophobicContact CG2-CG2 4.18Å
154	E	87.2	Confident	75.6	Confident	77 Å²	77	62.4 Å²	62.4	36%	0.36	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.7	175.7	-165.6	-177.2	155.4	0	0	110.3	S156 P226 V227 Y228 I229	E154-S156 PolarHBondContact O-N 2.9Å; E154-P226 HydrophobicContact CB-CB 3.81Å; E154-P226 HydrophobicContact CB-CG 4.21Å; E154-P226 WeakPolarHBondContact OE2-CG 3.44Å; E154-V227 PolarHBondContact N-O 2.84Å; E154-Y228 HydrophobicContact CB-CD1 4.08Å; E154-Y228 HydrophobicContact CB-CE1 4.12Å; E154-Y228 HydrophobicContact CG-CE1 4.35Å; E154-Y228 WeakPolarHBondContact O-CA 3.49Å; E154-Y228 WeakPolarHBondContact OE2-CE1 3.02Å; E154-I229 PolarHBondContact O-N 3.31Å
155	V	79.8	Confident	73.6	Confident	24 Å²	24	60.7 Å²	60.7	15%	0.145	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	105.8	176.4	-173.7	0	0	0	0	108.4	I229 H231 V234	V155-I229 CarbonylContact C-O 3.58Å; V155-I229 WeakPolarHBondContact CA-O 3.49Å; V155-H231 HydrophobicContact CG1-CB 3.91Å; V155-V234 HydrophobicContact CB-CG2 4.4Å; V155-V234 HydrophobicContact CG1-CG2 4.09Å; V155-V234 HydrophobicContact CG2-CG2 3.48Å; V155-V234 VanDerWaalsContact CG2-CG2 3.48Å
156	S	71.3	Confident	71.2	Confident	12 Å²	12	61.8 Å²	61.8	8%	0.084	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	150.2	178.6	103.5	0	0	0	0	110.9	E154 L161 I229	E154-S156 PolarHBondContact O-N 2.9Å; S156-L161 WeakPolarHBondContact OG-CD1 3.2Å; S156-L161 WeakPolarHBondContact OG-CG 3.33Å; S156-I229 PolarHBondContact N-O 3.32Å
157	R	62	Low	68.7	Low	207 Å²	207	66.8 Å²	66.8	78%	0.781	33%	0.328	S	S	*	.			trans	-65.7	146.5	162.8	-64	-177.1	-173.3	177	2.4	109.4	F159 F160	R157-F159 PolarHBondContact O-N 3.08Å; R157-F160 PolarHBondContact O-N 2.89Å
158	P	52.7	Low	66.3	Low	118 Å²	118	69.2 Å²	69.2	77%	0.766	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-16	-168.8	16.7	-30.3	0	0	0	115.8
159	F	47.2	Very low	64	Low	197 Å²	197	71.6 Å²	71.6	86%	0.864	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-12.2	-178.4	-102.5	-94.5	0	0	0	115.3	R157	R157-F159 PolarHBondContact O-N 3.08Å
160	F	44.5	Very low	61.6	Low	177 Å²	177	78.3 Å²	78.3	78%	0.776	39%	0.389	S	S	*	.	S	Bend	trans	-110.4	0.3	-170.5	-72.3	-77.5	0	0	0	115.6	R157	R157-F160 PolarHBondContact O-N 2.89Å
161	L	43.9	Very low	59.3	Low	38 Å²	38	87.6 Å²	87.6	20%	0.199	43%	0.43	C	S	.	.			trans	-114.2	111.6	-173.7	-85.9	173.9	0	0	0	113.1	S156 T163 Y228 N230	S156-L161 WeakPolarHBondContact OG-CD1 3.2Å; S156-L161 WeakPolarHBondContact OG-CG 3.33Å; L161-T163 HydrophobicContact CB-CG2 3.95Å; L161-T163 PolarHBondContact O-N 2.87Å; L161-Y228 VanDerWaalsContact CD2-CB 3.44Å; L161-Y228 WeakPolarHBondContact CD2-O 3.37Å; L161-N230 HydrophobicContact CD1-CB 4.08Å; L161-N230 VanDerWaalsContact CD1-N 3.33Å
162	K	45	Very low	57.6	Low	190 Å²	190	88.9 Å²	88.9	83%	0.826	44%	0.437	S	S	*	.			trans	-69.5	86.3	143.1	-69.7	-177.2	-178.3	178.8	0	106	K164	K162-K164 VanDerWaalsContact C-N 3.34Å; K162-K164 PolarHBondContact O-N 2.91Å
163	T	46	Very low	55.8	Low	81 Å²	81	93.4 Å²	93.4	50%	0.497	46%	0.464	S	S	.	.			trans	-53.3	94.3	178.7	49.6	0	0	0	0	109.8	L161 Y165 N230	L161-T163 HydrophobicContact CB-CG2 3.95Å; L161-T163 PolarHBondContact O-N 2.87Å; T163-Y165 VanDerWaalsContact C-N 3.28Å; T163-N230 HydrophobicContact CG2-CB 4.39Å; T163-N230 WeakPolarHBondContact CG2-ND2 3.46Å
164	K	52.1	Low	54.5	Low	105 Å²	105	96.5 Å²	96.5	46%	0.457	48%	0.48	S	S	.	.			trans	-85.7	-9.1	169.2	-74.1	-179.9	-178.6	175.2	0	111.6	K162 Y194 E198	K162-K164 VanDerWaalsContact C-N 3.34Å; K162-K164 PolarHBondContact O-N 2.91Å; K164-Y194 HydrophobicContact CB-CD1 4.08Å; K164-Y194 HydrophobicContact CB-CE1 4.46Å; K164-Y194 HydrophobicContact CD-CD1 4.09Å; K164-Y194 HydrophobicContact CD-CE1 4.07Å; K164-Y194 HydrophobicContact CG-CD1 4.49Å; K164-Y194 HydrophobicContact CG-CE1 4.47Å; K164-E198 IonicContact NZ-OE1 3.14Å; K164-E198 PolarHBondContact NZ-OE1 3.23Å
165	Y	52.4	Low	53.2	Low	37 Å²	37	94.2 Å²	94.2	15%	0.145	47%	0.472	C	S	.	.	S	Bend	trans	-101.6	129.4	-175	-62.3	-104.7	0	0	0	108.3	T163 Y194 L196 V227 I229	T163-Y165 VanDerWaalsContact C-N 3.28Å; Y165-Y194 WeakPolarHBondContact CD1-O 3.27Å; Y165-Y194 VanDerWaalsContact CE1-C 3.44Å; Y165-Y194 WeakPolarHBondContact CE1-O 3.43Å; Y165-Y194 PolarHBondContact OH-O 2.78Å; Y165-L196 PolarHBondContact OH-N 3.3Å; Y165-L196 PolarHBondContact OH-O 2.85Å; Y165-L196 VanDerWaalsContact OH-O 3.08Å; Y165-V227 HydrophobicContact CD1-CG1 3.94Å; Y165-V227 HydrophobicContact CE1-CB 4.5Å; Y165-V227 HydrophobicContact CE1-CG1 3.2Å; Y165-V227 HydrophobicContact CE2-CG1 4.1Å; Y165-V227 VanDerWaalsContact CZ-CG1 3.4Å; Y165-I229 HydrophobicContact CG-CG2 4.46Å
166	A	46.5	Very low	52.4	Low	22 Å²	22	100.1 Å²	100.1	18%	0.182	49%	0.492	C	S	.	.	S	Bend	trans	71	71.4	168	0	0	0	0	0	118.5	D233	A166-D233 HydrophobicContact CB-CB 4.25Å
167	S	45.5	Very low	52.1	Low	105 Å²	105	102.2 Å²	102.2	73%	0.734	50%	0.501	S	S	*	.	S	Bend	trans	-135.8	-16.4	148.4	71.9	0	0	0	0	116.9
168	P	48.5	Very low	52.3	Low	52 Å²	52	98.6 Å²	98.6	34%	0.338	51%	0.507	S	S	.	.	S	Bend	trans	-80.5	-28.8	178.8	-17.5	31.8	0	0	0	116.1	L170 K171	P168-L170 PolarHBondContact O-N 3.46Å; P168-K171 PolarHBondContact O-N 2.92Å
169	F	49	Very low	53	Low	50 Å²	50	96.7 Å²	96.7	22%	0.219	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-68	-11.1	-168.3	-55.3	-67.8	0	0	0	115.5	K171 D172 V185 L190	F169-K171 VanDerWaalsContact C-N 3.31Å; F169-K171 PolarHBondContact O-N 3.02Å; F169-D172 VanDerWaalsContact CA-OD2 3.29Å; F169-D172 WeakPolarHBondContact CA-OD2 3.26Å; F169-D172 WeakPolarHBondContact O-CB 3.38Å; F169-V185 HydrophobicContact CD1-CG1 3.96Å; F169-V185 HydrophobicContact CD1-CG2 4.03Å; F169-V185 HydrophobicContact CE1-CG1 3.95Å; F169-V185 HydrophobicContact CE1-CG2 4.38Å; F169-L190 HydrophobicContact CE1-CB 4.18Å; F169-L190 HydrophobicContact CE1-CD1 4.05Å; F169-L190 HydrophobicContact CE1-CD2 3.92Å; F169-L190 HydrophobicContact CE1-CG 4.26Å; F169-L190 HydrophobicContact CZ-CD1 3.54Å; F169-L190 HydrophobicContact CZ-CD2 4.02Å; F169-L190 HydrophobicContact CZ-CG 4.21Å
170	L	45.2	Very low	53.9	Low	141 Å²	141	90.8 Å²	90.8	74%	0.738	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-84.6	-2.7	-177.1	-66.3	175	0	0	0	113.6	P168 D172	P168-L170 PolarHBondContact O-N 3.46Å; L170-D172 VanDerWaalsContact C-N 3.34Å
171	K	49.1	Very low	55.2	Low	196 Å²	196	85.4 Å²	85.4	85%	0.852	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-91.2	1.1	171.8	-69.4	-171.5	178	-176.8	0	113.3	P168 F169	P168-K171 PolarHBondContact O-N 2.92Å; F169-K171 VanDerWaalsContact C-N 3.31Å; F169-K171 PolarHBondContact O-N 3.02Å
172	D	59.1	Low	56.7	Low	27 Å²	27	84 Å²	84	14%	0.144	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-83.1	147.6	-166.3	-68.7	-25.5	0	0	0	113.5	F169 L170 F183 R184 V185	F169-D172 VanDerWaalsContact CA-OD2 3.29Å; F169-D172 WeakPolarHBondContact CA-OD2 3.26Å; F169-D172 WeakPolarHBondContact O-CB 3.38Å; L170-D172 VanDerWaalsContact C-N 3.34Å; D172-F183 HydrophobicContact CB-CB 4.45Å; D172-R184 WeakPolarHBondContact CB-O 3.4Å; D172-R184 VanDerWaalsContact CG-O 3.26Å; D172-V185 WeakPolarHBondContact OD2-CG2 3.49Å
173	T	56.1	Low	58.2	Low	98 Å²	98	77.7 Å²	77.7	60%	0.601	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.2	-178.1	-58.7	0	0	0	0	110.1	V175 R184	T173-V175 HydrophobicContact CG2-CG2 4.22Å; T173-R184 PolarHBondContact O-N 3.47Å; T173-R184 VanDerWaalsContact O-N 3.09Å
174	L	60.7	Low	59.8	Low	72 Å²	72	78.9 Å²	78.9	38%	0.377	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	125.2	170	-176.1	73.5	0	0	0	109.6	Y176 K181 F183	L174-Y176 HydrophobicContact CD2-CE2 3.9Å; L174-Y176 HydrophobicContact CG-CE2 4.31Å; L174-K181 HydrophobicContact CD1-CB 3.9Å; L174-K181 HydrophobicContact CD1-CD 4.26Å; L174-K181 HydrophobicContact CD1-CG 4.06Å; L174-F183 HydrophobicContact CB-CE1 4.46Å; L174-F183 HydrophobicContact CD1-CD1 4.07Å; L174-F183 HydrophobicContact CD1-CE1 3.64Å; L174-F183 HydrophobicContact CD1-CE2 4.17Å; L174-F183 HydrophobicContact CD1-CZ 3.7Å
175	V	61.4	Low	61	Low	30 Å²	30	74 Å²	74	18%	0.182	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.6	175.2	-172.6	0	0	0	0	107.7	T173 E177 V182 R184	T173-V175 HydrophobicContact CG2-CG2 4.22Å; V175-E177 HydrophobicContact CG1-CG 4.17Å; V175-V182 PolarHBondContact N-O 3.04Å; V175-V182 PolarHBondContact O-N 2.99Å; V175-R184 HydrophobicContact CG2-CG 4.21Å
176	Y	62.1	Low	62	Low	147 Å²	147	75.6 Å²	75.6	58%	0.576	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	120.4	171.7	-70.4	-93.1	0	0	0	108.8	L174 K181	L174-Y176 HydrophobicContact CD2-CE2 3.9Å; L174-Y176 HydrophobicContact CG-CE2 4.31Å; Y176-K181 HydrophobicContact CD1-CG 4.11Å; Y176-K181 HydrophobicContact CE1-CD 4.36Å; Y176-K181 HydrophobicContact CE1-CG 3.5Å; Y176-K181 VanDerWaalsContact CE1-CG 3.5Å; Y176-K181 WeakPolarHBondContact OH-CE 3.47Å
177	E	64.2	Low	62.7	Low	56 Å²	56	75.3 Å²	75.3	26%	0.262	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.4	174.5	-62.5	-171.6	-172.7	0	0	108.4	K61 V175 G179 I180 V182 R184	K61-E177 WeakPolarHBondContact CE-OE1 2.97Å; K61-E177 VanDerWaalsContact NZ-CD 3.25Å; K61-E177 IonicContact NZ-OE1 2.82Å; K61-E177 PolarHBondContact NZ-OE1 2.89Å; K61-E177 IonicContact NZ-OE2 2.75Å; K61-E177 PolarHBondContact NZ-OE2 3.41Å; V175-E177 HydrophobicContact CG1-CG 4.17Å; E177-G179 PolarHBondContact O-N 3.27Å; E177-G179 VanDerWaalsContact O-N 3.09Å; E177-I180 PolarHBondContact N-O 2.97Å; E177-I180 PolarHBondContact O-N 3.38Å; E177-V182 HydrophobicContact CB-CG2 3.98Å; E177-V182 HydrophobicContact CG-CG2 4.3Å; E177-R184 IonicContact OE1-CZ 3.76Å; E177-R184 IonicContact OE1-NH2 2.77Å; E177-R184 PolarHBondContact OE1-NH2 3.16Å
178	S	67.8	Low	63.7	Low	131 Å²	131	76.7 Å²	76.7	92%	0.916	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	35.4	180	-57.2	0	0	0	0	114.7	I180	S178-I180 VanDerWaalsContact C-N 3.27Å; S178-I180 PolarHBondContact O-N 3.45Å
179	G	66.2	Low	64.5	Low	78 Å²	78	75.2 Å²	75.2	80%	0.804	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	0.4	-178.4	0	0	0	0	0	115.2	E177	E177-G179 PolarHBondContact O-N 3.27Å; E177-G179 VanDerWaalsContact O-N 3.09Å
180	I	67.7	Low	65.7	Low	73 Å²	73	73.3 Å²	73.3	37%	0.374	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.6	178.9	-57.9	176.1	0	0	0	109.4	E177 S178 V182	E177-I180 PolarHBondContact N-O 2.97Å; E177-I180 PolarHBondContact O-N 3.38Å; S178-I180 VanDerWaalsContact C-N 3.27Å; S178-I180 PolarHBondContact O-N 3.45Å; I180-V182 PolarHBondContact O-N 3.26Å
181	K	70.1	Confident	67.5	Low	64 Å²	64	67.5 Å²	67.5	28%	0.278	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	119	170.4	-74.9	-177	-176.9	178.8	0	109.4	L174 Y176 F243	L174-K181 HydrophobicContact CD1-CB 3.9Å; L174-K181 HydrophobicContact CD1-CD 4.26Å; L174-K181 HydrophobicContact CD1-CG 4.06Å; Y176-K181 HydrophobicContact CD1-CG 4.11Å; Y176-K181 HydrophobicContact CE1-CD 4.36Å; Y176-K181 HydrophobicContact CE1-CG 3.5Å; Y176-K181 VanDerWaalsContact CE1-CG 3.5Å; Y176-K181 WeakPolarHBondContact OH-CE 3.47Å; K181-F243 VanDerWaalsContact NZ-CE1 3.28Å
182	V	76.3	Confident	69.1	Low	9 Å²	9	58.1 Å²	58.1	6%	0.055	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.2	178.6	-178.2	0	0	0	0	108.8	K61 L62 V175 E177 I180	K61-V182 HydrophobicContact CB-CG1 3.68Å; K61-V182 HydrophobicContact CD-CG1 4.24Å; K61-V182 HydrophobicContact CG-CG1 4.11Å; L62-V182 CarbonylContact O-C 3.5Å; L62-V182 WeakPolarHBondContact O-CA 3.48Å; V175-V182 PolarHBondContact N-O 3.04Å; V175-V182 PolarHBondContact O-N 2.99Å; E177-V182 HydrophobicContact CB-CG2 3.98Å; E177-V182 HydrophobicContact CG-CG2 4.3Å; I180-V182 PolarHBondContact O-N 3.26Å
183	F	77	Confident	70.2	Confident	57 Å²	57	59.9 Å²	59.9	25%	0.25	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.1	173.1	-59.6	-92.7	0	0	0	108.7	L62 D172 L174 L240	L62-F183 HydrophobicContact CB-CB 4.26Å; L62-F183 PolarHBondContact N-O 2.72Å; L62-F183 PolarHBondContact O-N 3.09Å; D172-F183 HydrophobicContact CB-CB 4.45Å; L174-F183 HydrophobicContact CB-CE1 4.46Å; L174-F183 HydrophobicContact CD1-CD1 4.07Å; L174-F183 HydrophobicContact CD1-CE1 3.64Å; L174-F183 HydrophobicContact CD1-CE2 4.17Å; L174-F183 HydrophobicContact CD1-CZ 3.7Å; F183-L240 HydrophobicContact CE2-CD2 4.08Å; F183-L240 HydrophobicContact CZ-CD2 4.14Å
184	R	78.7	Confident	71.3	Confident	106 Å²	106	59.9 Å²	59.9	40%	0.4	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	115.4	174	-77.2	-168.5	177.7	121.7	10.8	110.5	D172 T173 V175 E177	D172-R184 WeakPolarHBondContact CB-O 3.4Å; D172-R184 VanDerWaalsContact CG-O 3.26Å; T173-R184 PolarHBondContact O-N 3.47Å; T173-R184 VanDerWaalsContact O-N 3.09Å; V175-R184 HydrophobicContact CG2-CG 4.21Å; E177-R184 IonicContact OE1-CZ 3.76Å; E177-R184 IonicContact OE1-NH2 2.77Å; E177-R184 PolarHBondContact OE1-NH2 3.16Å
185	V	76.7	Confident	72.3	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.018	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	119.1	179	-177.1	0	0	0	0	108.3	S59 G60 L62 F71 F169 D172 S189 L190	S59-V185 WeakPolarHBondContact CA-O 3.4Å; G60-V185 PolarHBondContact N-O 3.02Å; G60-V185 PolarHBondContact O-N 2.9Å; L62-V185 HydrophobicContact CB-CG2 4.12Å; F71-V185 HydrophobicContact CD2-CG2 4.14Å; F71-V185 HydrophobicContact CE2-CB 3.6Å; F71-V185 HydrophobicContact CE2-CG1 4.17Å; F71-V185 HydrophobicContact CE2-CG2 3.53Å; F71-V185 HydrophobicContact CZ-CB 4.1Å; F71-V185 HydrophobicContact CZ-CG1 4.3Å; F71-V185 HydrophobicContact CZ-CG2 4.43Å; F169-V185 HydrophobicContact CD1-CG1 3.96Å; F169-V185 HydrophobicContact CD1-CG2 4.03Å; F169-V185 HydrophobicContact CE1-CG1 3.95Å; F169-V185 HydrophobicContact CE1-CG2 4.38Å; D172-V185 WeakPolarHBondContact OD2-CG2 3.49Å; V185-S189 WeakPolarHBondContact CG1-OG 3.27Å; V185-L190 HydrophobicContact CG1-CB 4.25Å
186	S	73.3	Confident	73.5	Confident	70 Å²	70	56.6 Å²	56.6	49%	0.49	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	148.7	-178.7	59.5	0	0	0	0	112.7	D188 S189	S186-D188 PolarHBondContact O-N 3.05Å; S186-D188 VanDerWaalsContact O-N 3.08Å; S186-S189 WeakPolarHBondContact O-CB 3.44Å; S186-S189 PolarHBondContact O-N 3.5Å; S186-S189 PolarHBondContact O-OG 3.31Å
187	G	62.7	Low	74.8	Confident	16 Å²	16	50.3 Å²	50.3	17%	0.165	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	-21.9	-169.5	0	0	0	0	0	115.9	R57 S59 S189	R57-G187 CarbonylContact C-O 3.52Å; R57-G187 WeakPolarHBondContact CB-O 3.48Å; S59-G187 VanDerWaalsContact CB-CA 3.49Å; G187-S189 VanDerWaalsContact C-N 3.35Å
188	D	66.6	Low	75.8	Confident	135 Å²	135	54.9 Å²	54.9	72%	0.722	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	-1.7	178.6	-64.7	-42	0	0	0	113.6	R57 S186	R57-D188 WeakPolarHBondContact CD-O 3.43Å; R57-D188 PolarHBondContact NE-O 2.66Å; S186-D188 PolarHBondContact O-N 3.05Å; S186-D188 VanDerWaalsContact O-N 3.08Å
189	S	64.6	Low	76.9	Confident	21 Å²	21	50.1 Å²	50.1	15%	0.147	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-31.9	-167.7	70.3	0	0	0	0	114.7	V185 S186 G187	V185-S189 WeakPolarHBondContact CG1-OG 3.27Å; S186-S189 WeakPolarHBondContact O-CB 3.44Å; S186-S189 PolarHBondContact O-N 3.5Å; S186-S189 PolarHBondContact O-OG 3.31Å; G187-S189 VanDerWaalsContact C-N 3.35Å
190	L	75	Confident	78	Confident	10 Å²	10	51.1 Å²	51.1	5%	0.052	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116	-173.5	-178.1	56.3	0	0	0	112.8	R57 V58 F71 F169 V185 L195	R57-L190 CarbonylContact C-O 3.4Å; R57-L190 WeakPolarHBondContact CA-O 3.29Å; R57-L190 WeakPolarHBondContact CB-O 3.47Å; V58-L190 HydrophobicContact CG2-CB 4.28Å; V58-L190 HydrophobicContact CG2-CD2 4.21Å; V58-L190 HydrophobicContact CG2-CG 4.17Å; V58-L190 PolarHBondContact N-O 2.88Å; F71-L190 HydrophobicContact CD1-CD2 4.02Å; F71-L190 HydrophobicContact CE1-CD2 3.67Å; F71-L190 HydrophobicContact CZ-CD2 3.98Å; F169-L190 HydrophobicContact CE1-CB 4.18Å; F169-L190 HydrophobicContact CE1-CD1 4.05Å; F169-L190 HydrophobicContact CE1-CD2 3.92Å; F169-L190 HydrophobicContact CE1-CG 4.26Å; F169-L190 HydrophobicContact CZ-CD1 3.54Å; F169-L190 HydrophobicContact CZ-CD2 4.02Å; F169-L190 HydrophobicContact CZ-CG 4.21Å; V185-L190 HydrophobicContact CG1-CB 4.25Å; L190-L195 HydrophobicContact CD1-CD1 4.38Å; L190-L195 HydrophobicContact CD1-CG 4.41Å; L190-L195 HydrophobicContact CD2-CD1 4.25Å
191	S	82	Confident	79.3	Confident	18 Å²	18	53.2 Å²	53.2	13%	0.126	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.1	164.4	176.4	0	0	0	0	110	H193 Y194	S191-H193 PolarHBondContact O-N 3.02Å; S191-H193 PolarHBondContact OG-N 3.32Å; S191-Y194 WeakPolarHBondContact O-CB 3.39Å; S191-Y194 PolarHBondContact O-N 2.92Å
192	I	82.3	Confident	80.5	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-60.6	-29.8	176.8	-63	-63.4	0	0	0	112.1	V58 I73 V81 L95 V98 I125 Y194 L195 L196	V58-I192 HydrophobicContact CG1-CD1 4.37Å; V58-I192 HydrophobicContact CG1-CG1 4.11Å; V58-I192 HydrophobicContact CG2-CD1 3.66Å; V58-I192 HydrophobicContact CG2-CG1 4.05Å; I73-I192 HydrophobicContact CD1-CD1 4.15Å; V81-I192 HydrophobicContact CG1-CG1 4.42Å; V81-I192 HydrophobicContact CG2-CG1 4.33Å; L95-I192 HydrophobicContact CD1-CB 4.31Å; L95-I192 HydrophobicContact CD1-CD1 4.2Å; L95-I192 HydrophobicContact CD1-CG1 3.85Å; L95-I192 HydrophobicContact CD1-CG2 3.75Å; V98-I192 HydrophobicContact CG2-CD1 4.31Å; I125-I192 HydrophobicContact CD1-CG2 3.94Å; I192-Y194 PolarHBondContact O-N 2.87Å; I192-L195 HydrophobicContact CD1-CD1 4.37Å; I192-L195 WeakPolarHBondContact O-CA 3.28Å; I192-L195 WeakPolarHBondContact O-CB 3.18Å; I192-L195 PolarHBondContact O-N 3.48Å; I192-L196 HydrophobicContact CG2-CD1 4.26Å
193	H	83	Confident	81.4	Confident	64 Å²	64	53.3 Å²	53.3	30%	0.296	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-66.1	-19.6	176.5	-66.5	-76.8	0	0	0	113.3	K55 S191 L195 L196	K55-H193 WeakPolarHBondContact CA-NE2 3.5Å; K55-H193 VanDerWaalsContact CG-NE2 3.29Å; K55-H193 WeakPolarHBondContact CG-NE2 3.19Å; S191-H193 PolarHBondContact O-N 3.02Å; S191-H193 PolarHBondContact OG-N 3.32Å; H193-L195 PolarHBondContact O-N 2.61Å; H193-L196 PolarHBondContact O-N 2.95Å
194	Y	79.9	Confident	82.4	Confident	98 Å²	98	52.7 Å²	52.7	38%	0.384	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-81.8	12.8	168.5	-57.2	-38.9	0	0	0	112.4	K164 Y165 S191 I192	K164-Y194 HydrophobicContact CB-CD1 4.08Å; K164-Y194 HydrophobicContact CB-CE1 4.46Å; K164-Y194 HydrophobicContact CD-CD1 4.09Å; K164-Y194 HydrophobicContact CD-CE1 4.07Å; K164-Y194 HydrophobicContact CG-CD1 4.49Å; K164-Y194 HydrophobicContact CG-CE1 4.47Å; Y165-Y194 WeakPolarHBondContact CD1-O 3.27Å; Y165-Y194 VanDerWaalsContact CE1-C 3.44Å; Y165-Y194 WeakPolarHBondContact CE1-O 3.43Å; Y165-Y194 PolarHBondContact OH-O 2.78Å; S191-Y194 WeakPolarHBondContact O-CB 3.39Å; S191-Y194 PolarHBondContact O-N 2.92Å; I192-Y194 PolarHBondContact O-N 2.87Å
195	L	81.4	Confident	83.3	Confident	22 Å²	22	49.5 Å²	49.5	12%	0.115	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-118.4	3.2	170.7	-62.4	172.9	0	0	0	111.1	V98 V123 I125 L190 I192 H193	V98-L195 HydrophobicContact CG1-CD1 4.06Å; V98-L195 HydrophobicContact CG2-CD1 4.19Å; V123-L195 WeakPolarHBondContact CG1-O 3.11Å; V123-L195 HydrophobicContact CG2-CB 4.43Å; I125-L195 HydrophobicContact CD1-CB 4.23Å; L190-L195 HydrophobicContact CD1-CD1 4.38Å; L190-L195 HydrophobicContact CD1-CG 4.41Å; L190-L195 HydrophobicContact CD2-CD1 4.25Å; I192-L195 HydrophobicContact CD1-CD1 4.37Å; I192-L195 WeakPolarHBondContact O-CA 3.28Å; I192-L195 WeakPolarHBondContact O-CB 3.18Å; I192-L195 PolarHBondContact O-N 3.48Å; H193-L195 PolarHBondContact O-N 2.61Å
196	L	85.6	Confident	84.2	Confident	11 Å²	11	54.4 Å²	54.4	6%	0.058	29%	0.29	C	S	.	.	S	Bend	trans	-124.9	145.1	-174.4	-70.2	171.6	0	0	0	110	I53 I125 Y165 I192 H193 M223	I53-L196 HydrophobicContact CD1-CD1 3.41Å; I53-L196 VanDerWaalsContact CD1-CD1 3.41Å; I125-L196 HydrophobicContact CD1-CD1 4.23Å; I125-L196 HydrophobicContact CD1-CD2 3.76Å; I125-L196 HydrophobicContact CD1-CG 3.86Å; Y165-L196 PolarHBondContact OH-N 3.3Å; Y165-L196 PolarHBondContact OH-O 2.85Å; Y165-L196 VanDerWaalsContact OH-O 3.08Å; I192-L196 HydrophobicContact CG2-CD1 4.26Å; H193-L196 PolarHBondContact O-N 2.95Å; L196-M223 HydrophobicContact CD2-CG 4.36Å
197	P	89.1	Confident	85.4	Confident	14 Å²	14	51.2 Å²	51.2	9%	0.091	27%	0.267	C	S	.	.			trans	-69	153.6	174.3	30.5	-36.1	0	0	0	111.3	A151 T199 M223 K225	A151-P197 HydrophobicContact CB-CG 4.18Å; P197-T199 VanDerWaalsContact C-N 3.28Å; P197-T199 HydrophobicContact CB-CG2 4.29Å; P197-T199 HydrophobicContact CG-CG2 3.87Å; P197-T199 PolarHBondContact O-N 3.33Å; P197-M223 HydrophobicContact CG-CB 3.61Å; P197-M223 HydrophobicContact CG-CE 4.18Å; P197-M223 HydrophobicContact CG-CG 4.06Å; P197-K225 HydrophobicContact CB-CB 3.83Å; P197-K225 WeakPolarHBondContact CB-O 3.38Å; P197-K225 HydrophobicContact CG-CB 4.37Å; P197-K225 VanDerWaalsContact CG-O 3.27Å; P197-K225 WeakPolarHBondContact CG-O 3.15Å
198	E	86.4	Confident	87	Confident	153 Å²	153	50.4 Å²	50.4	72%	0.715	26%	0.259	S	S	*	.	S	Bend	trans	-76.4	80.8	172	-66.5	-175.8	-173.6	0	0	109.9	K164 K225	K164-E198 IonicContact NZ-OE1 3.14Å; K164-E198 PolarHBondContact NZ-OE1 3.23Å; E198-K225 PolarHBondContact O-NZ 3.44Å; E198-K225 VanDerWaalsContact O-NZ 3.14Å
199	T	90.5	Very high	88.4	Confident	31 Å²	31	44 Å²	44	19%	0.19	23%	0.225	C	C	.	.			trans	-152.1	151.7	174.8	-170.4	0	0	0	0	111.4	P197 Q201 M223 N224 K225	P197-T199 VanDerWaalsContact C-N 3.28Å; P197-T199 HydrophobicContact CB-CG2 4.29Å; P197-T199 HydrophobicContact CG-CG2 3.87Å; P197-T199 PolarHBondContact O-N 3.33Å; T199-Q201 PolarHBondContact OG1-N 3.05Å; T199-Q201 VanDerWaalsContact OG1-N 3.15Å; T199-M223 HydrophobicContact CG2-CB 4.37Å; T199-M223 HydrophobicContact CG2-CE 3.65Å; T199-N224 WeakPolarHBondContact CB-OD1 3.33Å; T199-N224 VanDerWaalsContact CG2-OD1 3.31Å; T199-N224 WeakPolarHBondContact CG2-OD1 3.12Å; T199-N224 PolarHBondContact OG1-OD1 2.95Å; T199-K225 HydrophobicContact CG2-CB 4.21Å; T199-K225 HydrophobicContact CG2-CG 4.37Å
200	S	89.9	Confident	89.8	Confident	99 Å²	99	43.3 Å²	43.3	69%	0.692	22%	0.22	S	C	*	.	S	Bend	trans	-104.6	-2.7	169.9	62	0	0	0	0	112.7
201	Q	93.8	Very high	90.6	Very high	117 Å²	117	44.4 Å²	44.4	55%	0.547	22%	0.224	S	C	.	.			trans	-95.5	137.8	-175.7	-68.5	176.3	-45.6	0	0	110.3	T199 N224	T199-Q201 PolarHBondContact OG1-N 3.05Å; T199-Q201 VanDerWaalsContact OG1-N 3.15Å; Q201-N224 HydrophobicContact CB-CB 4.24Å; Q201-N224 VanDerWaalsContact CB-CG 3.41Å; Q201-N224 VanDerWaalsContact CB-ND2 3.33Å; Q201-N224 WeakPolarHBondContact CB-ND2 3.31Å; Q201-N224 WeakPolarHBondContact CB-OD1 3.35Å; Q201-N224 PolarHBondContact O-N 3.25Å; Q201-N224 PolarHBondContact O-OD1 2.64Å; Q201-N224 PolarHBondContact OE1-ND2 3.05Å
202	Y	95.4	Very high	90.9	Very high	38 Å²	38	45.2 Å²	45.2	15%	0.149	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	161.2	-178.1	58.6	-94.4	0	0	0	110.7	L48 K49 L51 G86 L221 I222	L48-Y202 HydrophobicContact CD1-CE2 4.14Å; K49-Y202 PolarHBondContact O-OH 2.99Å; K49-Y202 VanDerWaalsContact O-OH 3.04Å; L51-Y202 HydrophobicContact CB-CD1 4.47Å; L51-Y202 HydrophobicContact CB-CE1 4.09Å; G86-Y202 WeakPolarHBondContact CA-OH 3.19Å; Y202-L221 HydrophobicContact CD2-CD2 3.44Å; Y202-L221 VanDerWaalsContact CD2-CD2 3.44Å; Y202-L221 HydrophobicContact CE2-CD2 3.59Å; Y202-L221 HydrophobicContact CG-CD2 4.14Å; Y202-I222 CarbonylContact C-O 3.57Å; Y202-I222 WeakPolarHBondContact CA-O 3.45Å; Y202-I222 WeakPolarHBondContact CB-O 3.16Å
203	V	96.5	Very high	91.2	Very high	37 Å²	37	45.4 Å²	45.4	22%	0.224	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.1	164.8	174.5	0	0	0	0	107.9	L42 L221 I222	L42-V203 HydrophobicContact CD1-CG2 3.78Å; L42-V203 HydrophobicContact CD2-CB 4.45Å; L42-V203 HydrophobicContact CD2-CG1 3.65Å; L42-V203 HydrophobicContact CD2-CG2 3.89Å; V203-L221 CarbonylContact O-C 3.49Å; V203-L221 WeakPolarHBondContact O-CA 3.25Å; V203-I222 HydrophobicContact CB-CB 4.4Å; V203-I222 PolarHBondContact N-O 2.96Å; V203-I222 PolarHBondContact O-N 2.8Å
204	T	97.3	Very high	91.6	Very high	44 Å²	44	42.6 Å²	42.6	27%	0.27	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.9	177.9	-167.5	0	0	0	0	112	L48 W220	L48-T204 HydrophobicContact CD1-CG2 3.98Å; L48-T204 HydrophobicContact CD2-CG2 4.23Å; T204-W220 WeakPolarHBondContact CA-O 3.42Å; T204-W220 PolarHBondContact OG1-O 3.24Å
205	Y	97.1	Very high	92.3	Very high	39 Å²	39	39.4 Å²	39.4	15%	0.153	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	157.4	172.6	78.6	-83.6	0	0	0	111.4	S33 I35 H112 W220 I222	S33-Y205 WeakPolarHBondContact CB-OH 3.46Å; S33-Y205 WeakPolarHBondContact OG-CE2 3.23Å; S33-Y205 PolarHBondContact OG-OH 3.44Å; I35-Y205 HydrophobicContact CD1-CD1 3.87Å; I35-Y205 HydrophobicContact CD1-CD2 3.97Å; I35-Y205 HydrophobicContact CD1-CE1 3.8Å; I35-Y205 HydrophobicContact CD1-CE2 3.93Å; I35-Y205 HydrophobicContact CD1-CG 3.96Å; I35-Y205 HydrophobicContact CG1-CE1 3.98Å; I35-Y205 HydrophobicContact CG1-CE2 4.25Å; I35-Y205 HydrophobicContact CG2-CE2 4.14Å; H112-Y205 AromaticContact NE2-CE1 3.72Å; H112-Y205 AromaticContact NE2-CZ 3.62Å; H112-Y205 PolarHBondContact NE2-OH 2.96Å; Y205-W220 HydrophobicContact CD1-CB 3.64Å; Y205-W220 HydrophobicContact CD1-CG 4.41Å; Y205-W220 HydrophobicContact CE1-CB 3.38Å; Y205-W220 AromaticContact CE1-CD1 3.9Å; Y205-W220 AromaticContact CE1-CG 3.73Å; Y205-W220 HydrophobicContact CE1-CG 3.73Å; Y205-W220 AromaticContact CE2-CD1 3.82Å; Y205-W220 HydrophobicContact CE2-CG 4.44Å; Y205-W220 HydrophobicContact CG-CB 4.35Å; Y205-W220 AromaticContact CZ-CD1 3.42Å; Y205-W220 VanDerWaalsContact CZ-CD1 3.42Å; Y205-W220 AromaticContact CZ-CG 3.74Å; Y205-W220 PolarHBondContact N-O 3.42Å; Y205-W220 VanDerWaalsContact N-O 3.16Å; Y205-W220 PolarHBondContact O-N 2.03Å; Y205-I222 HydrophobicContact CD1-CG1 4.4Å; Y205-I222 HydrophobicContact CE1-CD1 4.09Å; Y205-I222 HydrophobicContact CE1-CG1 4.12Å
206	E	96.8	Very high	93	Very high	106 Å²	106	41.6 Å²	41.6	50%	0.495	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.1	172.6	-66.8	-63.8	131.1	0	0	110.1	T219	E206-T219 VanDerWaalsContact OE1-CB 3.27Å; E206-T219 WeakPolarHBondContact OE1-CB 3.43Å; E206-T219 WeakPolarHBondContact OE1-CG2 3Å; E206-T219 PolarHBondContact OE1-OG1 2.92Å; E206-T219 PolarHBondContact OE2-OG1 2.92Å
207	G	96.8	Very high	93.5	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	-154.8	-175.3	0	0	0	0	0	113.6	H31 S33 E216 S217 V218	H31-G207 CarbonylContact O-C 3.24Å; H31-G207 VanDerWaalsContact O-C 3.24Å; H31-G207 VanDerWaalsContact O-CA 3.26Å; H31-G207 WeakPolarHBondContact O-CA 3.25Å; S33-G207 WeakPolarHBondContact OG-CA 3.38Å; G207-E216 CarbonylContact O-C 3.45Å; G207-E216 WeakPolarHBondContact O-CA 3.37Å; G207-S217 PolarHBondContact O-N 3.2Å; G207-V218 PolarHBondContact N-O 2.99Å; G207-V218 PolarHBondContact O-N 3.25Å
208	S	96.8	Very high	93.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.			trans	-121.9	170.8	-173.6	79	0	0	0	0	113.9	H31 Q32 S33 H215 W220	H31-S208 PolarHBondContact O-N 2.85Å; Q32-S208 WeakPolarHBondContact CA-OG 3.47Å; Q32-S208 PolarHBondContact OE1-OG 3.37Å; Q32-S208 VanDerWaalsContact OE1-OG 3.14Å; S33-S208 VanDerWaalsContact CB-O 3.31Å; S33-S208 WeakPolarHBondContact CB-O 3.45Å; S33-S208 PolarHBondContact N-OG 3.06Å; S33-S208 PolarHBondContact OG-N 3.14Å; S33-S208 PolarHBondContact OG-O 2.66Å; S208-H215 CarbonylContact C-O 3.52Å; S208-H215 WeakPolarHBondContact CA-O 3.37Å; S208-H215 WeakPolarHBondContact CB-O 3.36Å; S208-W220 PolarHBondContact O-NE1 3.05Å
209	L	96.1	Very high	94.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.178	C	C	.	.			trans	-65.7	136.2	163.2	-67	174.3	0	0	0	110.6	Y126 M140 L146 F211 C214 H215 V218	Y126-L209 HydrophobicContact CD1-CD2 4.05Å; Y126-L209 HydrophobicContact CE1-CD2 3.68Å; M140-L209 HydrophobicContact CB-CD1 4.29Å; L146-L209 HydrophobicContact CD1-CD1 4.34Å; L146-L209 HydrophobicContact CD1-CD2 3.58Å; L146-L209 HydrophobicContact CD1-CG 4.15Å; L209-F211 VanDerWaalsContact C-N 3.25Å; L209-F211 HydrophobicContact CB-CD1 4.45Å; L209-F211 HydrophobicContact CB-CE1 4.27Å; L209-F211 HydrophobicContact CB-CE2 4.44Å; L209-F211 HydrophobicContact CB-CZ 4.27Å; L209-F211 HydrophobicContact CD1-CE2 3.83Å; L209-F211 HydrophobicContact CD1-CZ 3.75Å; L209-F211 HydrophobicContact CD2-CE1 3.64Å; L209-F211 HydrophobicContact CD2-CE2 4.43Å; L209-F211 HydrophobicContact CD2-CZ 3.58Å; L209-F211 HydrophobicContact CG-CE1 4.36Å; L209-F211 HydrophobicContact CG-CE2 4.48Å; L209-F211 HydrophobicContact CG-CZ 4.08Å; L209-F211 PolarHBondContact O-N 3.21Å; L209-C214 WeakPolarHBondContact O-CA 3.21Å; L209-H215 HydrophobicContact CD1-CB 4.3Å; L209-H215 PolarHBondContact N-O 3.07Å; L209-V218 HydrophobicContact CD2-CG2 3.77Å; L209-V218 HydrophobicContact CG-CG2 4.07Å
210	T	94	Very high	94.9	Very high	6 Å²	6	32 Å²	32	4%	0.037	17%	0.169	C	C	.	.	S	Bend	trans	-91.4	19.3	177.9	65.4	0	0	0	0	113.3	P34 R101 E111 Q124 Y126 W220	P34-T210 HydrophobicContact CB-CG2 4.45Å; R101-T210 PolarHBondContact NH2-O 2.82Å; R101-T210 VanDerWaalsContact NH2-O 3.1Å; R101-T210 PolarHBondContact NH2-OG1 2.91Å; E111-T210 WeakPolarHBondContact OE2-CB 3.27Å; E111-T210 PolarHBondContact OE2-OG1 2.99Å; Q124-T210 PolarHBondContact OE1-OG1 2.8Å; Y126-T210 PolarHBondContact OH-OG1 3.29Å; T210-W220 HydrophobicContact CG2-CZ2 4.11Å
211	F	91.2	Very high	95.2	Very high	33 Å²	33	27.3 Å²	27.3	15%	0.145	14%	0.136	C	C	.	.	S	Bend	trans	-133.6	165.7	176.7	60.8	-102.6	0	0	0	109.3	F68 I99 Y126 L209 G213 C214	F68-F211 HydrophobicContact CE1-CB 4.31Å; F68-F211 HydrophobicContact CZ-CB 4.36Å; I99-F211 HydrophobicContact CD1-CD1 3.6Å; I99-F211 HydrophobicContact CD1-CE1 3.82Å; Y126-F211 HydrophobicContact CE2-CE1 4.12Å; L209-F211 VanDerWaalsContact C-N 3.25Å; L209-F211 HydrophobicContact CB-CD1 4.45Å; L209-F211 HydrophobicContact CB-CE1 4.27Å; L209-F211 HydrophobicContact CB-CE2 4.44Å; L209-F211 HydrophobicContact CB-CZ 4.27Å; L209-F211 HydrophobicContact CD1-CE2 3.83Å; L209-F211 HydrophobicContact CD1-CZ 3.75Å; L209-F211 HydrophobicContact CD2-CE1 3.64Å; L209-F211 HydrophobicContact CD2-CE2 4.43Å; L209-F211 HydrophobicContact CD2-CZ 3.58Å; L209-F211 HydrophobicContact CG-CE1 4.36Å; L209-F211 HydrophobicContact CG-CE2 4.48Å; L209-F211 HydrophobicContact CG-CZ 4.08Å; L209-F211 PolarHBondContact O-N 3.21Å; F211-G213 PolarHBondContact O-N 3.38Å; F211-C214 PolarHBondContact O-N 2.89Å
212	P	88.3	Confident	95.4	Very high	35 Å²	35	22 Å²	22	23%	0.227	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	135.5	-168.1	-29	35.4	0	0	0	113.8	W16 W23	W16-P212 HydrophobicContact CD2-CG 4.19Å; W16-P212 HydrophobicContact CE3-CB 4.28Å; W16-P212 HydrophobicContact CE3-CG 4.01Å; W16-P212 HydrophobicContact CH2-CG 4.24Å; W16-P212 HydrophobicContact CZ2-CG 4.4Å; W16-P212 HydrophobicContact CZ3-CG 4.05Å; W23-P212 HydrophobicContact CD2-CB 3.6Å; W23-P212 HydrophobicContact CE3-CB 3.89Å; W23-P212 HydrophobicContact CG-CB 4.21Å; W23-P212 HydrophobicContact CH2-CB 3.81Å; W23-P212 HydrophobicContact CH2-CG 4.25Å; W23-P212 HydrophobicContact CZ2-CB 3.52Å; W23-P212 HydrophobicContact CZ2-CG 4.36Å; W23-P212 HydrophobicContact CZ3-CB 3.99Å; W23-P212 HydrophobicContact CZ3-CG 4.41Å
213	G	88.5	Confident	95.4	Very high	4 Å²	4	20.6 Å²	20.6	4%	0.041	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.8	-39.7	-169.4	0	0	0	0	0	111.8	W23 F211 H215	W23-G213 VanDerWaalsContact CD1-N 3.32Å; F211-G213 PolarHBondContact O-N 3.38Å; G213-H215 PolarHBondContact O-N 3.08Å
214	C	92.5	Very high	95.2	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.034	12%	0.115	C	C	.	.			trans	42.3	38.1	174.2	-41.5	0	0	0	0	115.2	M25 C26 Q32 L209 F211 E216	M25-C214 HydrophobicContact CB-CB 4.47Å; M25-C214 VanDerWaalsContact CB-O 3.28Å; M25-C214 WeakPolarHBondContact CB-O 3.36Å; C26-C214 WeakPolarHBondContact CA-SG 3.45Å; C26-C214 HydrophobicContact CB-CB 3.81Å; C26-C214 WeakPolarHBondContact CB-SG 3.38Å; C26-C214 WeakPolarHBondContact SG-CB 3.3Å; C26-C214 CovalentContact SG-SG 2.03Å; C26-C214 PolarHBondContact SG-SG 3.22Å; Q32-C214 PolarHBondContact NE2-O 3.15Å; Q32-C214 VanDerWaalsContact NE2-O 3.11Å; L209-C214 WeakPolarHBondContact O-CA 3.21Å; F211-C214 PolarHBondContact O-N 2.89Å; C214-E216 PolarHBondContact O-N 2.64Å
215	H	94.7	Very high	95	Very high	31 Å²	31	25 Å²	25	14%	0.144	12%	0.122	C	C	.	.			trans	-65.9	132.3	-178.9	-63.6	-58.3	0	0	0	110.7	M140 S208 L209 G213 S217	M140-H215 WeakPolarHBondContact O-CB 3.31Å; S208-H215 CarbonylContact C-O 3.52Å; S208-H215 WeakPolarHBondContact CA-O 3.37Å; S208-H215 WeakPolarHBondContact CB-O 3.36Å; L209-H215 HydrophobicContact CD1-CB 4.3Å; L209-H215 PolarHBondContact N-O 3.07Å; G213-H215 PolarHBondContact O-N 3.08Å; H215-S217 VanDerWaalsContact C-N 3.26Å; H215-S217 PolarHBondContact O-N 3.41Å
216	E	96	Very high	94.7	Very high	67 Å²	67	24.1 Å²	24.1	31%	0.313	12%	0.121	S	C	.	.	S	Bend	trans	-84.5	67.5	-179.1	-53.1	-169	153.6	0	0	110.2	G29 Q30 H31 Q32 G207 C214	G29-E216 WeakPolarHBondContact CA-OE1 3.17Å; Q30-E216 PolarHBondContact N-OE1 3.37Å; H31-E216 PolarHBondContact N-OE1 3.5Å; H31-E216 IonicContact ND1-OE2 3.56Å; Q32-E216 PolarHBondContact NE2-OE1 2.81Å; G207-E216 CarbonylContact O-C 3.45Å; G207-E216 WeakPolarHBondContact O-CA 3.37Å; C214-E216 PolarHBondContact O-N 2.64Å
217	S	96.5	Very high	94.2	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.021	10%	0.099	C	C	.	.			trans	-131.2	9.3	-173.7	59.5	0	0	0	0	112.9	M140 M142 L146 G207 H215	M140-S217 WeakPolarHBondContact O-CB 3.4Å; M140-S217 PolarHBondContact O-OG 3.07Å; M142-S217 WeakPolarHBondContact O-CB 3.37Å; L146-S217 WeakPolarHBondContact CB-O 3.33Å; L146-S217 PolarHBondContact N-O 2.98Å; G207-S217 PolarHBondContact O-N 3.2Å; H215-S217 VanDerWaalsContact C-N 3.26Å; H215-S217 PolarHBondContact O-N 3.41Å
218	V	98	Very high	93.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.1	-172	-170.8	0	0	0	0	110.1	L146 G207 L209 W220	L146-V218 HydrophobicContact CB-CG2 4.08Å; L146-V218 HydrophobicContact CD1-CG2 4.01Å; G207-V218 PolarHBondContact N-O 2.99Å; G207-V218 PolarHBondContact O-N 3.25Å; L209-V218 HydrophobicContact CD2-CG2 3.77Å; L209-V218 HydrophobicContact CG-CG2 4.07Å; V218-W220 HydrophobicContact CG1-CD2 3.81Å; V218-W220 HydrophobicContact CG1-CG 3.94Å; V218-W220 HydrophobicContact CG1-CZ2 4.12Å; V218-W220 PolarHBondContact O-N 3.11Å
219	T	97.8	Very high	92.5	Very high	4 Å²	4	24.4 Å²	24.4	3%	0.025	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	112.4	158.7	-49.9	0	0	0	0	108	P87 F88 L146 G148 E206	P87-T219 HydrophobicContact CB-CG2 4.21Å; P87-T219 HydrophobicContact CG-CG2 3.75Å; F88-T219 VanDerWaalsContact CE1-CB 3.46Å; F88-T219 HydrophobicContact CE1-CG2 3.65Å; F88-T219 HydrophobicContact CZ-CG2 3.87Å; L146-T219 PolarHBondContact O-N 3.06Å; G148-T219 PolarHBondContact N-O 3.14Å; E206-T219 VanDerWaalsContact OE1-CB 3.27Å; E206-T219 WeakPolarHBondContact OE1-CB 3.43Å; E206-T219 WeakPolarHBondContact OE1-CG2 3Å; E206-T219 PolarHBondContact OE1-OG1 2.92Å; E206-T219 PolarHBondContact OE2-OG1 2.92Å
220	W	98	Very high	91.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	141.8	-179.5	-79.5	104.2	0	0	0	111.9	S33 Q124 Y126 G148 T204 Y205 S208 T210 V218 I222	S33-W220 PolarHBondContact OG-NE1 3.23Å; Q124-W220 HydrophobicContact CB-CH2 4.18Å; Q124-W220 HydrophobicContact CB-CZ3 4.34Å; Q124-W220 HydrophobicContact CG-CH2 3.86Å; Q124-W220 HydrophobicContact CG-CZ3 4.05Å; Y126-W220 AromaticContact CE1-CH2 3.63Å; Y126-W220 HydrophobicContact CE1-CH2 3.63Å; Y126-W220 AromaticContact CE1-CZ2 3.82Å; Y126-W220 HydrophobicContact CE1-CZ2 3.82Å; Y126-W220 HydrophobicContact CE1-CZ3 4.47Å; Y126-W220 AromaticContact CZ-CH2 3.58Å; Y126-W220 VanDerWaalsContact OH-CH2 3.28Å; Y126-W220 WeakPolarHBondContact OH-CH2 3.46Å; G148-W220 CarbonylContact O-C 3.58Å; G148-W220 WeakPolarHBondContact O-CA 3.47Å; T204-W220 WeakPolarHBondContact CA-O 3.42Å; T204-W220 PolarHBondContact OG1-O 3.24Å; Y205-W220 HydrophobicContact CD1-CB 3.64Å; Y205-W220 HydrophobicContact CD1-CG 4.41Å; Y205-W220 HydrophobicContact CE1-CB 3.38Å; Y205-W220 AromaticContact CE1-CD1 3.9Å; Y205-W220 AromaticContact CE1-CG 3.73Å; Y205-W220 HydrophobicContact CE1-CG 3.73Å; Y205-W220 AromaticContact CE2-CD1 3.82Å; Y205-W220 HydrophobicContact CE2-CG 4.44Å; Y205-W220 HydrophobicContact CG-CB 4.35Å; Y205-W220 AromaticContact CZ-CD1 3.42Å; Y205-W220 VanDerWaalsContact CZ-CD1 3.42Å; Y205-W220 AromaticContact CZ-CG 3.74Å; Y205-W220 PolarHBondContact N-O 3.42Å; Y205-W220 VanDerWaalsContact N-O 3.16Å; Y205-W220 PolarHBondContact O-N 2.03Å; S208-W220 PolarHBondContact O-NE1 3.05Å; T210-W220 HydrophobicContact CG2-CZ2 4.11Å; V218-W220 HydrophobicContact CG1-CD2 3.81Å; V218-W220 HydrophobicContact CG1-CG 3.94Å; V218-W220 HydrophobicContact CG1-CZ2 4.12Å; V218-W220 PolarHBondContact O-N 3.11Å; W220-I222 HydrophobicContact CB-CD1 4.13Å; W220-I222 HydrophobicContact CE3-CD1 4.15Å
221	L	97.3	Very high	90.2	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	103.9	169.9	-68.1	179.8	0	0	0	108.1	L51 P87 F88 G148 L149 S150 Y202 V203	L51-L221 HydrophobicContact CD1-CD1 3.44Å; L51-L221 VanDerWaalsContact CD1-CD1 3.44Å; L51-L221 HydrophobicContact CD2-CD1 3.97Å; L51-L221 HydrophobicContact CG-CD1 4.32Å; P87-L221 HydrophobicContact CG-CD2 3.85Å; F88-L221 HydrophobicContact CD2-CD1 4.34Å; F88-L221 HydrophobicContact CE2-CD1 3.52Å; F88-L221 HydrophobicContact CE2-CG 4.12Å; F88-L221 HydrophobicContact CZ-CD1 4.3Å; F88-L221 HydrophobicContact CZ-CG 4.43Å; G148-L221 PolarHBondContact O-N 2.89Å; L149-L221 CarbonylContact C-O 3.39Å; L149-L221 WeakPolarHBondContact CA-O 3.21Å; L149-L221 HydrophobicContact CD2-CB 3.78Å; L149-L221 HydrophobicContact CD2-CD1 3.69Å; L149-L221 HydrophobicContact CD2-CG 4.38Å; S150-L221 PolarHBondContact N-O 3.1Å; Y202-L221 HydrophobicContact CD2-CD2 3.44Å; Y202-L221 VanDerWaalsContact CD2-CD2 3.44Å; Y202-L221 HydrophobicContact CE2-CD2 3.59Å; Y202-L221 HydrophobicContact CG-CD2 4.14Å; V203-L221 CarbonylContact O-C 3.49Å; V203-L221 WeakPolarHBondContact O-CA 3.25Å
222	I	97	Very high	89.1	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113.8	-179.1	-44.6	-59.9	0	0	0	108.9	I37 Y202 V203 Y205 W220	I37-I222 HydrophobicContact CD1-CB 3.87Å; I37-I222 HydrophobicContact CD1-CG1 3.76Å; I37-I222 HydrophobicContact CD1-CG2 3.59Å; Y202-I222 CarbonylContact C-O 3.57Å; Y202-I222 WeakPolarHBondContact CA-O 3.45Å; Y202-I222 WeakPolarHBondContact CB-O 3.16Å; V203-I222 HydrophobicContact CB-CB 4.4Å; V203-I222 PolarHBondContact N-O 2.96Å; V203-I222 PolarHBondContact O-N 2.8Å; Y205-I222 HydrophobicContact CD1-CG1 4.4Å; Y205-I222 HydrophobicContact CE1-CD1 4.09Å; Y205-I222 HydrophobicContact CE1-CG1 4.12Å; W220-I222 HydrophobicContact CB-CD1 4.13Å; W220-I222 HydrophobicContact CE3-CD1 4.15Å
223	M	95.5	Very high	88.1	Confident	9 Å²	9	35.9 Å²	35.9	4%	0.044	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	135	-178.3	-56.3	-60.2	-76.9	0	0	110.3	L149 S150 A151 L196 P197 T199 K225	L149-M223 HydrophobicContact CD2-SD 4.44Å; S150-M223 WeakPolarHBondContact O-CG 3.27Å; S150-M223 PolarHBondContact O-N 2.75Å; A151-M223 HydrophobicContact CB-CB 4.03Å; A151-M223 HydrophobicContact CB-CG 4.13Å; L196-M223 HydrophobicContact CD2-CG 4.36Å; P197-M223 HydrophobicContact CG-CB 3.61Å; P197-M223 HydrophobicContact CG-CE 4.18Å; P197-M223 HydrophobicContact CG-CG 4.06Å; T199-M223 HydrophobicContact CG2-CB 4.37Å; T199-M223 HydrophobicContact CG2-CE 3.65Å; M223-K225 PolarHBondContact O-N 2.72Å
224	N	93.4	Very high	86.9	Confident	76 Å²	76	36.3 Å²	36.3	41%	0.406	17%	0.17	S	C	.	.	S	Bend	trans	-81.2	7.3	-173.9	82.6	-36.6	0	0	0	115.1	T199 Q201	T199-N224 WeakPolarHBondContact CB-OD1 3.33Å; T199-N224 VanDerWaalsContact CG2-OD1 3.31Å; T199-N224 WeakPolarHBondContact CG2-OD1 3.12Å; T199-N224 PolarHBondContact OG1-OD1 2.95Å; Q201-N224 HydrophobicContact CB-CB 4.24Å; Q201-N224 VanDerWaalsContact CB-CG 3.41Å; Q201-N224 VanDerWaalsContact CB-ND2 3.33Å; Q201-N224 WeakPolarHBondContact CB-ND2 3.31Å; Q201-N224 WeakPolarHBondContact CB-OD1 3.35Å; Q201-N224 PolarHBondContact O-N 3.25Å; Q201-N224 PolarHBondContact O-OD1 2.64Å; Q201-N224 PolarHBondContact OE1-ND2 3.05Å
225	K	93.2	Very high	85.5	Confident	98 Å²	98	38.5 Å²	38.5	43%	0.426	18%	0.184	S	C	.	.	S	Bend	trans	-131.2	146.2	176.6	-71.2	-169.3	-167.5	170.8	0	109.6	P197 E198 T199 M223	P197-K225 HydrophobicContact CB-CB 3.83Å; P197-K225 WeakPolarHBondContact CB-O 3.38Å; P197-K225 HydrophobicContact CG-CB 4.37Å; P197-K225 VanDerWaalsContact CG-O 3.27Å; P197-K225 WeakPolarHBondContact CG-O 3.15Å; E198-K225 PolarHBondContact O-NZ 3.44Å; E198-K225 VanDerWaalsContact O-NZ 3.14Å; T199-K225 HydrophobicContact CG2-CB 4.21Å; T199-K225 HydrophobicContact CG2-CG 4.37Å; M223-K225 PolarHBondContact O-N 2.72Å
226	P	91.3	Very high	84.1	Confident	21 Å²	21	40.7 Å²	40.7	14%	0.136	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-72.7	154.2	174.5	31.1	-35.6	0	0	0	111.4	V152 E154 Y228	V152-P226 HydrophobicContact CG2-CB 4.03Å; V152-P226 CarbonylContact O-C 3.54Å; V152-P226 WeakPolarHBondContact O-CA 3.06Å; E154-P226 HydrophobicContact CB-CB 3.81Å; E154-P226 HydrophobicContact CB-CG 4.21Å; E154-P226 WeakPolarHBondContact OE2-CG 3.44Å; P226-Y228 HydrophobicContact CG-CD1 4.46Å; P226-Y228 HydrophobicContact CG-CE1 3.8Å; P226-Y228 HydrophobicContact CG-CE2 3.9Å; P226-Y228 VanDerWaalsContact CG-CZ 3.47Å; P226-Y228 WeakPolarHBondContact CG-OH 3.46Å
227	V	86.3	Confident	82.6	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	117.7	157.6	172.1	0	0	0	0	107.9	V123 A151 V152 I153 E154 Y165 I229	V123-V227 HydrophobicContact CG1-CG2 4.22Å; A151-V227 HydrophobicContact CB-CG2 3.93Å; V152-V227 PolarHBondContact O-N 3.43Å; I153-V227 WeakPolarHBondContact CA-O 3.02Å; I153-V227 HydrophobicContact CG1-CB 4.4Å; E154-V227 PolarHBondContact N-O 2.84Å; Y165-V227 HydrophobicContact CD1-CG1 3.94Å; Y165-V227 HydrophobicContact CE1-CB 4.5Å; Y165-V227 HydrophobicContact CE1-CG1 3.2Å; Y165-V227 HydrophobicContact CE2-CG1 4.1Å; Y165-V227 VanDerWaalsContact CZ-CG1 3.4Å; V227-I229 HydrophobicContact CG1-CG2 4.13Å
228	Y	82.8	Confident	80.9	Confident	106 Å²	106	40.6 Å²	40.6	42%	0.416	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	127.4	175.9	-66	-74.1	0	0	0	110.6	E154 L161 P226	E154-Y228 HydrophobicContact CB-CD1 4.08Å; E154-Y228 HydrophobicContact CB-CE1 4.12Å; E154-Y228 HydrophobicContact CG-CE1 4.35Å; E154-Y228 WeakPolarHBondContact O-CA 3.49Å; E154-Y228 WeakPolarHBondContact OE2-CE1 3.02Å; L161-Y228 VanDerWaalsContact CD2-CB 3.44Å; L161-Y228 WeakPolarHBondContact CD2-O 3.37Å; P226-Y228 HydrophobicContact CG-CD1 4.46Å; P226-Y228 HydrophobicContact CG-CE1 3.8Å; P226-Y228 HydrophobicContact CG-CE2 3.9Å; P226-Y228 VanDerWaalsContact CG-CZ 3.47Å; P226-Y228 WeakPolarHBondContact CG-OH 3.46Å
229	I	73.6	Confident	79.2	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.6	171.7	63.8	174.6	0	0	0	110.5	I153 E154 V155 S156 Y165 V227 V234	I153-I229 HydrophobicContact CG2-CB 4.41Å; I153-I229 HydrophobicContact CG2-CD1 3.28Å; I153-I229 HydrophobicContact CG2-CG1 3.45Å; I153-I229 VanDerWaalsContact CG2-CG1 3.45Å; I153-I229 HydrophobicContact CG2-CG2 4.18Å; E154-I229 PolarHBondContact O-N 3.31Å; V155-I229 CarbonylContact C-O 3.58Å; V155-I229 WeakPolarHBondContact CA-O 3.49Å; S156-I229 PolarHBondContact N-O 3.32Å; Y165-I229 HydrophobicContact CG-CG2 4.46Å; V227-I229 HydrophobicContact CG1-CG2 4.13Å; I229-V234 HydrophobicContact CD1-CB 4.28Å; I229-V234 HydrophobicContact CD1-CG2 3.28Å; I229-V234 HydrophobicContact CG1-CG2 3.64Å
230	N	70	Confident	77.4	Confident	28 Å²	28	49.2 Å²	49.2	15%	0.15	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	155.7	174.5	72	52.4	0	0	0	109.8	L161 T163 K232 D233 V234	L161-N230 HydrophobicContact CD1-CB 4.08Å; L161-N230 VanDerWaalsContact CD1-N 3.33Å; T163-N230 HydrophobicContact CG2-CB 4.39Å; T163-N230 WeakPolarHBondContact CG2-ND2 3.46Å; N230-K232 PolarHBondContact O-N 3.49Å; N230-K232 WeakPolarHBondContact OD1-CA 3.3Å; N230-K232 VanDerWaalsContact OD1-CB 3.3Å; N230-K232 WeakPolarHBondContact OD1-CB 3.5Å; N230-K232 PolarHBondContact OD1-N 3.4Å; N230-D233 PolarHBondContact ND2-OD2 3.33Å; N230-D233 PolarHBondContact O-N 3.27Å; N230-D233 VanDerWaalsContact O-N 3.09Å; N230-D233 VanDerWaalsContact OD1-CG 3.3Å; N230-D233 PolarHBondContact OD1-N 2.66Å; N230-D233 PolarHBondContact OD1-OD2 3.11Å; N230-V234 WeakPolarHBondContact O-CG2 3.46Å; N230-V234 PolarHBondContact O-N 2.97Å; N230-V234 VanDerWaalsContact O-N 3.1Å
231	H	71.3	Confident	75.1	Confident	117 Å²	117	50.5 Å²	50.5	54%	0.542	25%	0.249	S	C	.	.	H	α-helix	trans	-59.1	-29.2	179.4	-168.2	-67.5	0	0	0	113.4	V155 V234 C235	V155-H231 HydrophobicContact CG1-CB 3.91Å; H231-V234 WeakPolarHBondContact O-CB 3.26Å; H231-C235 PolarHBondContact ND1-SG 2.86Å; H231-C235 PolarHBondContact O-N 3.41Å; H231-C235 PolarHBondContact O-SG 2.92Å
232	K	68.9	Low	72.5	Confident	165 Å²	165	54.8 Å²	54.8	72%	0.717	27%	0.271	S	S	*	.	H	α-helix	trans	-68.5	-36	177.6	-65.5	-178.6	178.5	179.3	0	111.7	N230 C235 K236	N230-K232 PolarHBondContact O-N 3.49Å; N230-K232 WeakPolarHBondContact OD1-CA 3.3Å; N230-K232 VanDerWaalsContact OD1-CB 3.3Å; N230-K232 WeakPolarHBondContact OD1-CB 3.5Å; N230-K232 PolarHBondContact OD1-N 3.4Å; K232-C235 WeakPolarHBondContact O-CB 3.26Å; K232-C235 PolarHBondContact O-N 3.06Å; K232-K236 WeakPolarHBondContact O-CG 3.4Å; K232-K236 PolarHBondContact O-N 3.25Å
233	D	67	Low	69.5	Low	5 Å²	5	61 Å²	61	3%	0.027	30%	0.298	C	S	.	.	H	α-helix	trans	-77.6	-35.6	179.3	-65	-29.7	0	0	0	111.1	A166 N230 C235 K236 F237	A166-D233 HydrophobicContact CB-CB 4.25Å; N230-D233 PolarHBondContact ND2-OD2 3.33Å; N230-D233 PolarHBondContact O-N 3.27Å; N230-D233 VanDerWaalsContact O-N 3.09Å; N230-D233 VanDerWaalsContact OD1-CG 3.3Å; N230-D233 PolarHBondContact OD1-N 2.66Å; N230-D233 PolarHBondContact OD1-OD2 3.11Å; D233-C235 VanDerWaalsContact C-N 3.29Å; D233-C235 PolarHBondContact O-N 2.63Å; D233-K236 WeakPolarHBondContact O-CB 3.34Å; D233-K236 PolarHBondContact O-N 3.25Å; D233-K236 VanDerWaalsContact O-N 3.13Å; D233-K236 IonicContact OD1-NZ 2.86Å; D233-K236 PolarHBondContact OD1-NZ 3.28Å; D233-F237 HydrophobicContact CB-CE2 4.48Å; D233-F237 WeakPolarHBondContact O-CD2 3.4Å; D233-F237 PolarHBondContact O-N 3.39Å
234	V	64.7	Low	66.4	Low	14 Å²	14	67.1 Å²	67.1	9%	0.085	32%	0.324	C	S	.	.	H	α-helix	trans	-51.1	-53	164.8	179.3	0	0	0	0	109.4	V102 V155 I229 N230 H231 K236 F237 V238	V102-V234 HydrophobicContact CG1-CG1 3.77Å; V155-V234 HydrophobicContact CB-CG2 4.4Å; V155-V234 HydrophobicContact CG1-CG2 4.09Å; V155-V234 HydrophobicContact CG2-CG2 3.48Å; V155-V234 VanDerWaalsContact CG2-CG2 3.48Å; I229-V234 HydrophobicContact CD1-CB 4.28Å; I229-V234 HydrophobicContact CD1-CG2 3.28Å; I229-V234 HydrophobicContact CG1-CG2 3.64Å; N230-V234 WeakPolarHBondContact O-CG2 3.46Å; N230-V234 PolarHBondContact O-N 2.97Å; N230-V234 VanDerWaalsContact O-N 3.1Å; H231-V234 WeakPolarHBondContact O-CB 3.26Å; V234-K236 VanDerWaalsContact C-N 3.28Å; V234-K236 PolarHBondContact O-N 3.21Å; V234-F237 PolarHBondContact O-N 3.28Å; V234-F237 VanDerWaalsContact O-N 3.14Å; V234-V238 HydrophobicContact CG1-CG2 4.13Å; V234-V238 WeakPolarHBondContact O-CB 3.34Å; V234-V238 VanDerWaalsContact O-CG2 3.23Å; V234-V238 WeakPolarHBondContact O-CG2 3.48Å; V234-V238 PolarHBondContact O-N 3.33Å
235	C	63.2	Low	63.3	Low	50 Å²	50	71.2 Å²	71.2	34%	0.338	35%	0.346	S	S	.	.	H	α-helix	trans	-58.9	-38.4	179.2	-67.9	0	0	0	0	112.4	H231 K232 D233 Q239	H231-C235 PolarHBondContact ND1-SG 2.86Å; H231-C235 PolarHBondContact O-N 3.41Å; H231-C235 PolarHBondContact O-SG 2.92Å; K232-C235 WeakPolarHBondContact O-CB 3.26Å; K232-C235 PolarHBondContact O-N 3.06Å; D233-C235 VanDerWaalsContact C-N 3.29Å; D233-C235 PolarHBondContact O-N 2.63Å; C235-Q239 VanDerWaalsContact O-CB 3.29Å; C235-Q239 WeakPolarHBondContact O-CB 3.32Å; C235-Q239 WeakPolarHBondContact O-CG 3.49Å; C235-Q239 PolarHBondContact O-N 2.89Å
236	K	65.4	Low	60	Low	78 Å²	78	74.3 Å²	74.3	34%	0.339	37%	0.366	S	S	.	.	H	α-helix	trans	-65.9	-44.8	174.8	-69.6	174.1	-166.9	154.6	0	112.1	K232 D233 V234 V238 Q239 L240	K232-K236 WeakPolarHBondContact O-CG 3.4Å; K232-K236 PolarHBondContact O-N 3.25Å; D233-K236 WeakPolarHBondContact O-CB 3.34Å; D233-K236 PolarHBondContact O-N 3.25Å; D233-K236 VanDerWaalsContact O-N 3.13Å; D233-K236 IonicContact OD1-NZ 2.86Å; D233-K236 PolarHBondContact OD1-NZ 3.28Å; V234-K236 VanDerWaalsContact C-N 3.28Å; V234-K236 PolarHBondContact O-N 3.21Å; K236-V238 VanDerWaalsContact C-N 3.33Å; K236-V238 PolarHBondContact O-N 3.48Å; K236-Q239 PolarHBondContact O-N 3.01Å; K236-L240 WeakPolarHBondContact O-CB 2.94Å; K236-L240 VanDerWaalsContact O-CG 3.28Å; K236-L240 WeakPolarHBondContact O-CG 3.32Å; K236-L240 PolarHBondContact O-N 2.96Å
237	F	63.9	Low	56.9	Low	36 Å²	36	80.5 Å²	80.5	16%	0.158	40%	0.398	C	S	.	.	H	α-helix	trans	-62.4	-43	176.9	-74.9	-59.8	0	0	0	111.5	L69 V102 D233 V234 L240 G241	L69-F237 HydrophobicContact CD1-CB 4.25Å; L69-F237 HydrophobicContact CD1-CD1 3.52Å; L69-F237 HydrophobicContact CD1-CE1 4.35Å; L69-F237 HydrophobicContact CD1-CG 4.35Å; V102-F237 HydrophobicContact CG2-CB 4.24Å; D233-F237 HydrophobicContact CB-CE2 4.48Å; D233-F237 WeakPolarHBondContact O-CD2 3.4Å; D233-F237 PolarHBondContact O-N 3.39Å; V234-F237 PolarHBondContact O-N 3.28Å; V234-F237 VanDerWaalsContact O-N 3.14Å; F237-L240 PolarHBondContact O-N 2.72Å; F237-G241 PolarHBondContact O-N 2.92Å
238	V	61.4	Low	53.9	Low	32 Å²	32	90.9 Å²	90.9	19%	0.194	44%	0.443	C	S	.	.	H	α-helix	trans	-63.2	-43.9	175.6	170.7	0	0	0	0	110.2	V102 L104 V234 K236 G241 I242	V102-V238 HydrophobicContact CB-CG2 4.4Å; V102-V238 HydrophobicContact CG1-CG2 3.9Å; L104-V238 HydrophobicContact CD2-CG1 4.23Å; V234-V238 HydrophobicContact CG1-CG2 4.13Å; V234-V238 WeakPolarHBondContact O-CB 3.34Å; V234-V238 VanDerWaalsContact O-CG2 3.23Å; V234-V238 WeakPolarHBondContact O-CG2 3.48Å; V234-V238 PolarHBondContact O-N 3.33Å; K236-V238 VanDerWaalsContact C-N 3.33Å; K236-V238 PolarHBondContact O-N 3.48Å; V238-G241 CarbonylContact O-C 3.5Å; V238-G241 WeakPolarHBondContact O-CA 3.37Å; V238-G241 PolarHBondContact O-N 3.33Å; V238-G241 VanDerWaalsContact O-N 3.08Å; V238-I242 HydrophobicContact CG1-CD1 3.27Å; V238-I242 HydrophobicContact CG1-CG1 4.13Å; V238-I242 WeakPolarHBondContact O-CB 3.28Å; V238-I242 WeakPolarHBondContact O-CD1 3.26Å; V238-I242 WeakPolarHBondContact O-CG1 3.37Å; V238-I242 PolarHBondContact O-N 3.19Å
239	Q	60.4	Low	51.2	Low	131 Å²	131	94.9 Å²	94.9	61%	0.612	49%	0.486	S	S	*	.	H	α-helix	trans	-63.7	-42	174.3	-78	174.7	-3.7	0	0	113.2	C235 K236 G241 I242	C235-Q239 VanDerWaalsContact O-CB 3.29Å; C235-Q239 WeakPolarHBondContact O-CB 3.32Å; C235-Q239 WeakPolarHBondContact O-CG 3.49Å; C235-Q239 PolarHBondContact O-N 2.89Å; K236-Q239 PolarHBondContact O-N 3.01Å; Q239-G241 PolarHBondContact O-N 3.27Å; Q239-I242 PolarHBondContact O-N 2.92Å
240	L	60.5	Low	50.1	Low	54 Å²	54	99.5 Å²	99.5	28%	0.283	51%	0.51	S	S	.	.	H	α-helix	trans	-61.3	-34.2	172.4	-72	169.8	0	0	0	110.8	N64 L69 F183 K236 F237	N64-L240 PolarHBondContact ND2-O 2.75Å; L69-L240 HydrophobicContact CD1-CB 4.34Å; L69-L240 HydrophobicContact CD2-CB 4.11Å; F183-L240 HydrophobicContact CE2-CD2 4.08Å; F183-L240 HydrophobicContact CZ-CD2 4.14Å; K236-L240 WeakPolarHBondContact O-CB 2.94Å; K236-L240 VanDerWaalsContact O-CG 3.28Å; K236-L240 WeakPolarHBondContact O-CG 3.32Å; K236-L240 PolarHBondContact O-N 2.96Å; F237-L240 PolarHBondContact O-N 2.72Å
241	G	49.4	Very low	49.1	Very low	27 Å²	27	103.2 Å²	103.2	28%	0.278	53%	0.529	S	S	.	.	H	α-helix	trans	-74.5	-24.7	174.9	0	0	0	0	0	115.8	N64 F237 V238 Q239 F243	N64-G241 WeakPolarHBondContact ND2-CA 3.42Å; N64-G241 PolarHBondContact ND2-O 3.2Å; F237-G241 PolarHBondContact O-N 2.92Å; V238-G241 CarbonylContact O-C 3.5Å; V238-G241 WeakPolarHBondContact O-CA 3.37Å; V238-G241 PolarHBondContact O-N 3.33Å; V238-G241 VanDerWaalsContact O-N 3.08Å; Q239-G241 PolarHBondContact O-N 3.27Å; G241-F243 PolarHBondContact O-N 2.84Å
242	I	43	Very low	47.8	Very low	91 Å²	91	102.4 Å²	102.4	47%	0.467	53%	0.528	S	S	.	.			trans	-90.3	12.5	-170.5	-74.6	169.4	0	0	0	114.3	V238 Q239 K244	V238-I242 HydrophobicContact CG1-CD1 3.27Å; V238-I242 HydrophobicContact CG1-CG1 4.13Å; V238-I242 WeakPolarHBondContact O-CB 3.28Å; V238-I242 WeakPolarHBondContact O-CD1 3.26Å; V238-I242 WeakPolarHBondContact O-CG1 3.37Å; V238-I242 PolarHBondContact O-N 3.19Å; Q239-I242 PolarHBondContact O-N 2.92Å; I242-K244 PolarHBondContact O-N 3.49Å
243	F	34.3	Very low	46.6	Very low	136 Å²	136	98.8 Å²	98.8	60%	0.596	52%	0.517	S	S	*	.			trans	-70.5	14.7	173.4	-91.4	-73.6	0	0	0	115.9	K181 G241	K181-F243 VanDerWaalsContact NZ-CE1 3.28Å; G241-F243 PolarHBondContact O-N 2.84Å
244	K	29.7	Very low	45.3	Very low	136 Å²	136	104.6 Å²	104.6	59%	0.591	55%	0.547	S	S	*	.	S	Bend	trans	-121.9	101	165.6	-92.5	178	176.1	172	0	110.5	T65 I242	T65-K244 PolarHBondContact O-NZ 2.78Å; I242-K244 PolarHBondContact O-N 3.49Å
245	N	28.5	Very low	44	Very low	163 Å²	163	110.7 Å²	110.7	87%	0.872	58%	0.578	S	S	*	*	S	Bend	trans	148.9	17.2	152.5	-75.5	-10.8	0	0	0	115.5
246	L	25.6	Very low	42.7	Very low	162 Å²	162	115 Å²	115	85%	0.848	60%	0.595	S	S	*	*	S	Bend	trans	-123.7	18.8	173.8	-84.3	163.9	0	0	0	115.2
247	L	24.6	Very low	40.9	Very low	151 Å²	151	117.8 Å²	117.8	79%	0.791	62%	0.615	S	S	*	*	S	Bend	trans	-135.6	58.3	172.4	-70.5	171.7	0	0	0	110.7
248	F	24.1	Very low	39	Very low	223 Å²	223	124.7 Å²	124.7	98%	0.978	65%	0.653	S	S	*	*			trans	-147.3	79.7	153.7	-78	-72.6	0	0	0	107.1
249	S	26.8	Very low	37	Very low	190 Å²	190	133.1 Å²	133.1	100%	1.329	70%	0.695	S	S	*	*			trans	-123.5	0	145	166.6	0	0	0	0	106.2

Retrieved 249 of 249 residues in 123.2 ms (Link to these results)

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