A0A077ZAM7_TRITR Loading...

Hedgehog protein

The C-terminal part of the hedgehog protein precursor displays an autoproteolysis activity that results in the cleavage of the full-length protein into two parts (N-product and C-product). In addition, the C-terminal part displays a cholesterol transferase activity that results by the covalent attachment of a cholesterol moiety to the C-terminal of the newly generated N-product. Once cleaved, the C-product has no signaling activity and diffuses from the cell. The dually lipidated hedgehog protein N-product is a morphogen which is essential for a variety of patterning events during development. The C-terminal part of the hedgehog protein precursor displays an autoproteolysis activity that results in the cleavage of the full-length protein into two parts (N-product and C-product). In addition, the C-terminal part displays a cholesterol transferase activity that results by the covalent attachment of a cholesterol moiety to the C-terminal of the newly generated N-product.

AlphaFold DB , UniProt , Accession A0A077ZAM7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 419 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	34.8	Very low	41.8	Very low	227 Å²	227	143.5 Å²	143.5	100%	1.118	79%	0.79	S	S	*	*				0	92.6	0	-80.6	-179.1	175.2	0	0	109.1
2	L	37.3	Very low	42.8	Very low	166 Å²	166	147.9 Å²	147.9	87%	0.869	79%	0.786	S	S	*	*			trans	-141.5	77.6	166.5	-84.9	165.3	0	0	0	106.6	T4	L2-T4 PolarHBondContact O-N 3.26Å
3	F	38	Very low	43.8	Very low	197 Å²	197	141.5 Å²	141.5	86%	0.864	76%	0.76	S	S	*	*			trans	-74.5	94.3	167	-79.7	-84.1	0	0	0	107.5	T5	F3-T5 PolarHBondContact O-N 2.88Å
4	T	38.9	Very low	44.9	Very low	130 Å²	130	137.3 Å²	137.3	80%	0.798	74%	0.742	S	S	*	*			trans	-86.5	100.9	164.5	47.3	0	0	0	0	107.7	L2 S6	L2-T4 PolarHBondContact O-N 3.26Å; T4-S6 PolarHBondContact O-N 2.95Å
5	T	39.1	Very low	46.7	Very low	120 Å²	120	132.5 Å²	132.5	74%	0.736	72%	0.719	S	S	*	*			trans	-60.2	114	176.1	40.8	0	0	0	0	109.7	F3 K7	F3-T5 PolarHBondContact O-N 2.88Å; T5-K7 PolarHBondContact O-N 3.42Å
6	S	40.9	Very low	48.2	Very low	119 Å²	119	131.8 Å²	131.8	83%	0.832	71%	0.714	S	S	*	*			trans	-66.6	100.5	164.6	62.3	0	0	0	0	107.1	T4 S8	T4-S6 PolarHBondContact O-N 2.95Å; S6-S8 PolarHBondContact O-N 2.99Å
7	K	40.7	Very low	49.7	Very low	191 Å²	191	127.6 Å²	127.6	83%	0.83	70%	0.702	S	S	*	*			trans	-61	108.6	169.1	-79.2	179.9	176.4	177.6	0	106.8	T5 L9	T5-K7 PolarHBondContact O-N 3.42Å; K7-L9 PolarHBondContact O-N 3.28Å
8	S	43.9	Very low	51	Low	107 Å²	107	125.1 Å²	125.1	75%	0.748	69%	0.69	S	S	*	*			trans	-53.9	114.2	166	54.6	0	0	0	0	107.2	S6 S10	S6-S8 PolarHBondContact O-N 2.99Å; S8-S10 VanDerWaalsContact C-N 3.25Å; S8-S10 PolarHBondContact O-N 3.47Å
9	L	45	Very low	52.3	Low	144 Å²	144	123.8 Å²	123.8	75%	0.754	68%	0.681	S	S	*	*			trans	-59.5	97.6	168.5	-86.2	148.1	0	0	0	106.2	K7 V11	K7-L9 PolarHBondContact O-N 3.28Å; L9-V11 PolarHBondContact O-N 3.43Å
10	S	46.1	Very low	53.5	Low	66 Å²	66	121.2 Å²	121.2	46%	0.462	67%	0.672	S	S	.	*			trans	-58.1	136.6	-177.2	78.1	0	0	0	0	108.3	S8 R12 S13	S8-S10 VanDerWaalsContact C-N 3.25Å; S8-S10 PolarHBondContact O-N 3.47Å; S10-R12 PolarHBondContact O-N 3.05Å; S10-S13 PolarHBondContact O-N 3.42Å
11	V	54.7	Low	54.9	Low	112 Å²	112	121 Å²	121	68%	0.679	67%	0.669	S	S	*	*	H	α-helix	trans	-47.1	-20.1	179	176.4	0	0	0	0	113.1	L9 T14 T15	L9-V11 PolarHBondContact O-N 3.43Å; V11-T14 PolarHBondContact O-OG1 2.99Å; V11-T15 WeakPolarHBondContact O-CG2 3.43Å; V11-T15 PolarHBondContact O-N 2.91Å; V11-T15 PolarHBondContact O-OG1 2.85Å
12	R	54.9	Low	56.9	Low	196 Å²	196	116 Å²	116	74%	0.74	65%	0.646	S	S	*	*	H	α-helix	trans	-66.6	-32.8	173.8	-65.3	-175.8	175.6	-175.1	-1.5	113.9	S10 T15 L16	S10-R12 PolarHBondContact O-N 3.05Å; R12-T15 PolarHBondContact O-OG1 2.66Å; R12-T15 VanDerWaalsContact O-OG1 3.05Å; R12-L16 WeakPolarHBondContact O-CB 3.31Å; R12-L16 WeakPolarHBondContact O-CD1 3.32Å; R12-L16 PolarHBondContact O-N 3.37Å; R12-L16 VanDerWaalsContact O-N 3.12Å
13	S	55.1	Low	58.8	Low	64 Å²	64	111.5 Å²	111.5	45%	0.448	63%	0.626	S	S	.	*	H	α-helix	trans	-72.2	-34.6	-178.9	-174.3	0	0	0	0	112.3	S10 A17	S10-S13 PolarHBondContact O-N 3.42Å; S13-A17 PolarHBondContact O-N 2.94Å
14	T	59.9	Low	60.7	Low	83 Å²	83	105.9 Å²	105.9	51%	0.509	61%	0.608	S	S	.	*	H	α-helix	trans	-75.9	-37.5	179.3	51.3	0	0	0	0	111.2	V11 A17 T18	V11-T14 PolarHBondContact O-OG1 2.99Å; T14-A17 PolarHBondContact O-N 3.16Å; T14-T18 WeakPolarHBondContact O-CG2 3.42Å; T14-T18 PolarHBondContact O-N 3.33Å; T14-T18 PolarHBondContact O-OG1 3.11Å
15	T	71.6	Confident	62.5	Low	65 Å²	65	103.3 Å²	103.3	40%	0.399	59%	0.592	S	S	.	*	H	α-helix	trans	-68.3	-37.6	175.1	56.1	0	0	0	0	112.6	V11 R12 T18 I19	V11-T15 WeakPolarHBondContact O-CG2 3.43Å; V11-T15 PolarHBondContact O-N 2.91Å; V11-T15 PolarHBondContact O-OG1 2.85Å; R12-T15 PolarHBondContact O-OG1 2.66Å; R12-T15 VanDerWaalsContact O-OG1 3.05Å; T15-T18 WeakPolarHBondContact CA-OG1 3.48Å; T15-T18 PolarHBondContact O-N 2.67Å; T15-T18 PolarHBondContact O-OG1 3Å; T15-I19 WeakPolarHBondContact O-CB 3.39Å; T15-I19 WeakPolarHBondContact O-CD1 3.34Å; T15-I19 WeakPolarHBondContact O-CG1 3.44Å; T15-I19 PolarHBondContact O-N 2.97Å
16	L	70.7	Confident	63.9	Low	121 Å²	121	99.9 Å²	99.9	63%	0.634	58%	0.576	S	S	*	*	H	α-helix	trans	-64	-40.3	173.7	-89.9	152.8	0	0	0	112.1	R12 S20	R12-L16 WeakPolarHBondContact O-CB 3.31Å; R12-L16 WeakPolarHBondContact O-CD1 3.32Å; R12-L16 PolarHBondContact O-N 3.37Å; R12-L16 VanDerWaalsContact O-N 3.12Å; L16-S20 VanDerWaalsContact O-CB 3.31Å; L16-S20 WeakPolarHBondContact O-CB 3.35Å; L16-S20 PolarHBondContact O-N 3.13Å
17	A	73.2	Confident	65.3	Low	62 Å²	62	100 Å²	100	51%	0.512	57%	0.565	S	S	.	*	H	α-helix	trans	-66.7	-40.5	177.4	0	0	0	0	0	112.5	S13 T14 S20 L21	S13-A17 PolarHBondContact O-N 2.94Å; T14-A17 PolarHBondContact O-N 3.16Å; A17-S20 PolarHBondContact O-N 2.97Å; A17-L21 WeakPolarHBondContact O-CB 3.1Å; A17-L21 PolarHBondContact O-N 3.34Å
18	T	73.2	Confident	66.5	Low	81 Å²	81	96.5 Å²	96.5	50%	0.497	56%	0.56	S	S	.	*	H	α-helix	trans	-69.3	-39.8	177.4	54.4	0	0	0	0	112.3	T14 T15 L21 L22	T14-T18 WeakPolarHBondContact O-CG2 3.42Å; T14-T18 PolarHBondContact O-N 3.33Å; T14-T18 PolarHBondContact O-OG1 3.11Å; T15-T18 WeakPolarHBondContact CA-OG1 3.48Å; T15-T18 PolarHBondContact O-N 2.67Å; T15-T18 PolarHBondContact O-OG1 3Å; T18-L21 PolarHBondContact O-N 2.9Å; T18-L22 WeakPolarHBondContact O-CG 3.46Å; T18-L22 PolarHBondContact O-N 3.21Å
19	I	76.3	Confident	67.5	Low	101 Å²	101	95.9 Å²	95.9	52%	0.518	55%	0.551	S	S	.	*	H	α-helix	trans	-63.8	-44	173.9	-66.8	165.6	0	0	0	110.1	T15 L21 L22 V23	T15-I19 WeakPolarHBondContact O-CB 3.39Å; T15-I19 WeakPolarHBondContact O-CD1 3.34Å; T15-I19 WeakPolarHBondContact O-CG1 3.44Å; T15-I19 PolarHBondContact O-N 2.97Å; I19-L21 VanDerWaalsContact C-N 3.32Å; I19-L21 PolarHBondContact O-N 2.84Å; I19-L22 PolarHBondContact O-N 2.86Å; I19-V23 HydrophobicContact CG2-CG2 4.34Å; I19-V23 VanDerWaalsContact O-CG2 3.29Å; I19-V23 WeakPolarHBondContact O-CG2 3.32Å; I19-V23 PolarHBondContact O-N 3.13Å
20	S	76.7	Confident	67.5	Low	71 Å²	71	94.8 Å²	94.8	50%	0.497	55%	0.546	S	S	.	.	H	α-helix	trans	-61.3	-39.9	176.9	-170.2	0	0	0	0	112	L16 A17 V23 V24	L16-S20 VanDerWaalsContact O-CB 3.31Å; L16-S20 WeakPolarHBondContact O-CB 3.35Å; L16-S20 PolarHBondContact O-N 3.13Å; A17-S20 PolarHBondContact O-N 2.97Å; S20-V23 PolarHBondContact O-N 3.34Å; S20-V24 VanDerWaalsContact O-CG2 3.28Å; S20-V24 WeakPolarHBondContact O-CG2 3.47Å; S20-V24 PolarHBondContact O-N 3.1Å
21	L	81.2	Confident	67.5	Low	117 Å²	117	99.5 Å²	99.5	61%	0.613	57%	0.566	S	S	*	*	H	α-helix	trans	-65.8	-44.2	176.4	-172.6	71.2	0	0	0	111.6	A17 T18 I19 V23 V24 V25	A17-L21 WeakPolarHBondContact O-CB 3.1Å; A17-L21 PolarHBondContact O-N 3.34Å; T18-L21 PolarHBondContact O-N 2.9Å; I19-L21 VanDerWaalsContact C-N 3.32Å; I19-L21 PolarHBondContact O-N 2.84Å; L21-V23 VanDerWaalsContact C-N 3.32Å; L21-V23 PolarHBondContact O-N 3.47Å; L21-V24 PolarHBondContact O-N 3.36Å; L21-V25 VanDerWaalsContact O-CG2 3.29Å; L21-V25 WeakPolarHBondContact O-CG2 3.44Å; L21-V25 PolarHBondContact O-N 3.41Å
22	L	78.3	Confident	67.3	Low	122 Å²	122	99.4 Å²	99.4	64%	0.639	57%	0.569	S	S	*	*	H	α-helix	trans	-63.6	-37.1	176.8	-75.9	170.1	0	0	0	112.3	T18 I19 V25 A26	T18-L22 WeakPolarHBondContact O-CG 3.46Å; T18-L22 PolarHBondContact O-N 3.21Å; I19-L22 PolarHBondContact O-N 2.86Å; L22-V25 PolarHBondContact O-N 3.48Å; L22-A26 VanDerWaalsContact O-CB 3.28Å; L22-A26 WeakPolarHBondContact O-CB 3.12Å; L22-A26 PolarHBondContact O-N 3.02Å
23	V	77.2	Confident	66.7	Low	73 Å²	73	99.7 Å²	99.7	44%	0.442	58%	0.575	S	S	.	*	H	α-helix	trans	-69.2	-42.2	175.6	171.3	0	0	0	0	111	I19 S20 L21 V25 A26 I27	I19-V23 HydrophobicContact CG2-CG2 4.34Å; I19-V23 VanDerWaalsContact O-CG2 3.29Å; I19-V23 WeakPolarHBondContact O-CG2 3.32Å; I19-V23 PolarHBondContact O-N 3.13Å; S20-V23 PolarHBondContact O-N 3.34Å; L21-V23 VanDerWaalsContact C-N 3.32Å; L21-V23 PolarHBondContact O-N 3.47Å; V23-V25 VanDerWaalsContact C-N 3.34Å; V23-V25 PolarHBondContact O-N 3.37Å; V23-A26 PolarHBondContact O-N 2.88Å; V23-I27 HydrophobicContact CG1-CD1 3.59Å; V23-I27 HydrophobicContact CG1-CG1 4.22Å; V23-I27 WeakPolarHBondContact O-CB 3.34Å; V23-I27 WeakPolarHBondContact O-CG1 3.28Å; V23-I27 PolarHBondContact O-N 3.27Å
24	V	76.6	Confident	66.1	Low	78 Å²	78	99.7 Å²	99.7	47%	0.473	59%	0.585	S	S	.	*	H	α-helix	trans	-62.2	-43.7	174.3	171.4	0	0	0	0	110.6	S20 L21 A26 I27 V28	S20-V24 VanDerWaalsContact O-CG2 3.28Å; S20-V24 WeakPolarHBondContact O-CG2 3.47Å; S20-V24 PolarHBondContact O-N 3.1Å; L21-V24 PolarHBondContact O-N 3.36Å; V24-A26 PolarHBondContact O-N 3.06Å; V24-I27 PolarHBondContact O-N 2.89Å; V24-V28 HydrophobicContact CG1-CG2 4.27Å; V24-V28 WeakPolarHBondContact O-CB 3.38Å; V24-V28 WeakPolarHBondContact O-CG2 3.23Å; V24-V28 PolarHBondContact O-N 3.27Å
25	V	76.3	Confident	65.4	Low	77 Å²	77	100.8 Å²	100.8	47%	0.467	60%	0.595	S	S	.	*	H	α-helix	trans	-61.1	-45.5	173.8	173	0	0	0	0	110.4	L21 L22 V23 I27 V28 V29	L21-V25 VanDerWaalsContact O-CG2 3.29Å; L21-V25 WeakPolarHBondContact O-CG2 3.44Å; L21-V25 PolarHBondContact O-N 3.41Å; L22-V25 PolarHBondContact O-N 3.48Å; V23-V25 VanDerWaalsContact C-N 3.34Å; V23-V25 PolarHBondContact O-N 3.37Å; V25-I27 PolarHBondContact O-N 3.46Å; V25-V28 PolarHBondContact O-N 3.25Å; V25-V29 HydrophobicContact CG1-CG2 4Å; V25-V29 WeakPolarHBondContact O-CB 3.44Å; V25-V29 WeakPolarHBondContact O-CG2 3.44Å; V25-V29 PolarHBondContact O-N 3.05Å
26	A	70.2	Confident	63.6	Low	48 Å²	48	105.4 Å²	105.4	40%	0.397	61%	0.612	S	S	.	*	H	α-helix	trans	-65.3	-36.3	179	0	0	0	0	0	113.2	L22 V23 V24 V29 N30	L22-A26 VanDerWaalsContact O-CB 3.28Å; L22-A26 WeakPolarHBondContact O-CB 3.12Å; L22-A26 PolarHBondContact O-N 3.02Å; V23-A26 PolarHBondContact O-N 2.88Å; V24-A26 PolarHBondContact O-N 3.06Å; A26-V29 PolarHBondContact O-N 3.21Å; A26-N30 VanDerWaalsContact O-CB 3.28Å; A26-N30 WeakPolarHBondContact O-CB 3.48Å; A26-N30 PolarHBondContact O-N 3.48Å
27	I	68.9	Low	62.2	Low	120 Å²	120	102.2 Å²	102.2	62%	0.615	60%	0.599	S	S	*	*	H	α-helix	trans	-70.8	-42	175.9	-68.4	167.5	0	0	0	110.4	V23 V24 V25 V29 N30	V23-I27 HydrophobicContact CG1-CD1 3.59Å; V23-I27 HydrophobicContact CG1-CG1 4.22Å; V23-I27 WeakPolarHBondContact O-CB 3.34Å; V23-I27 WeakPolarHBondContact O-CG1 3.28Å; V23-I27 PolarHBondContact O-N 3.27Å; V24-I27 PolarHBondContact O-N 2.89Å; V25-I27 PolarHBondContact O-N 3.46Å; I27-V29 VanDerWaalsContact C-N 3.27Å; I27-V29 PolarHBondContact O-N 3.15Å; I27-N30 PolarHBondContact O-N 2.98Å
28	V	67.5	Low	60.3	Low	118 Å²	118	103.3 Å²	103.3	72%	0.715	60%	0.603	S	S	*	*	H	α-helix	trans	-67.3	-31.1	175.6	174.5	0	0	0	0	111.1	V24 V25	V24-V28 HydrophobicContact CG1-CG2 4.27Å; V24-V28 WeakPolarHBondContact O-CB 3.38Å; V24-V28 WeakPolarHBondContact O-CG2 3.23Å; V24-V28 PolarHBondContact O-N 3.27Å; V25-V28 PolarHBondContact O-N 3.25Å
29	V	63.5	Low	58.4	Low	94 Å²	94	109.7 Å²	109.7	57%	0.57	62%	0.619	S	S	*	*	H	α-helix	trans	-85.9	-23.1	179.9	177.5	0	0	0	0	112.5	V25 A26 I27 L31	V25-V29 HydrophobicContact CG1-CG2 4Å; V25-V29 WeakPolarHBondContact O-CB 3.44Å; V25-V29 WeakPolarHBondContact O-CG2 3.44Å; V25-V29 PolarHBondContact O-N 3.05Å; A26-V29 PolarHBondContact O-N 3.21Å; I27-V29 VanDerWaalsContact C-N 3.27Å; I27-V29 PolarHBondContact O-N 3.15Å; V29-L31 PolarHBondContact O-N 3.31Å
30	N	45.6	Very low	56.2	Low	121 Å²	121	110.3 Å²	110.3	65%	0.647	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	85.4	175.2	-91.5	-33.1	0	0	0	112.9	A26 I27	A26-N30 VanDerWaalsContact O-CB 3.28Å; A26-N30 WeakPolarHBondContact O-CB 3.48Å; A26-N30 PolarHBondContact O-N 3.48Å; I27-N30 PolarHBondContact O-N 2.98Å
31	L	46.6	Very low	54.4	Low	166 Å²	166	116 Å²	116	87%	0.869	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.8	6	135.9	-102.4	156.7	0	0	0	112.2	V29 K33	V29-L31 PolarHBondContact O-N 3.31Å; L31-K33 PolarHBondContact O-N 3.49Å; L31-K33 VanDerWaalsContact O-N 3.08Å
32	C	49.6	Very low	52.5	Low	110 Å²	110	113.8 Å²	113.8	74%	0.743	65%	0.645	S	S	*	*	S	Bend	trans	-71.4	104.6	162.4	-71.1	0	0	0	0	107.7	G34	C32-G34 PolarHBondContact O-N 2.67Å
33	K	43.4	Very low	50.6	Low	201 Å²	201	115.1 Å²	115.1	87%	0.874	65%	0.646	S	S	*	*			trans	-53.9	89.2	159.3	-69.5	177.7	178.7	176.6	0	107.2	L31 C35	L31-K33 PolarHBondContact O-N 3.49Å; L31-K33 VanDerWaalsContact O-N 3.08Å; K33-C35 VanDerWaalsContact C-N 3.32Å; K33-C35 PolarHBondContact O-N 3.42Å
34	G	42.6	Very low	49.1	Very low	64 Å²	64	119.3 Å²	119.3	66%	0.66	65%	0.653	S	S	*	*			trans	-63.8	99.5	171.1	0	0	0	0	0	106.5	C32 H36	C32-G34 PolarHBondContact O-N 2.67Å; G34-H36 PolarHBondContact O-N 3.35Å
35	C	45.5	Very low	47.4	Very low	107 Å²	107	119.7 Å²	119.7	72%	0.723	66%	0.66	S	S	*	*			trans	-55.4	109.4	162.5	-67.2	0	0	0	0	105.7	K33 P37	K33-C35 VanDerWaalsContact C-N 3.32Å; K33-C35 PolarHBondContact O-N 3.42Å; C35-P37 WeakPolarHBondContact O-CD 3.42Å
36	H	32.1	Very low	46.1	Very low	161 Å²	161	117 Å²	117	75%	0.745	64%	0.643	S	S	*	*			trans	-57.1	109.5	173.4	-176.2	-80	0	0	0	107.4	G34 S38	G34-H36 PolarHBondContact O-N 3.35Å; H36-S38 PolarHBondContact O-N 3.24Å; H36-S38 VanDerWaalsContact O-N 3.16Å
37	P	42.6	Very low	45	Very low	55 Å²	55	122 Å²	122	36%	0.357	66%	0.662	S	S	.	*			trans	-73.4	116.6	178.4	-0.4	16.9	0	0	0	106	C35 Y39 L410	C35-P37 WeakPolarHBondContact O-CD 3.42Å; P37-Y39 PolarHBondContact O-N 3.16Å; P37-L410 VanDerWaalsContact CB-O 3.28Å; P37-L410 WeakPolarHBondContact CB-O 3.35Å; P37-L410 HydrophobicContact CG-CB 4.08Å; P37-L410 HydrophobicContact CG-CD2 4.41Å; P37-L410 WeakPolarHBondContact CG-O 3.2Å
38	S	32.6	Very low	44.2	Very low	85 Å²	85	124.6 Å²	124.6	59%	0.594	67%	0.671	S	S	*	*			trans	-47.2	134.4	165.6	50.5	0	0	0	0	109.2	H36 N40	H36-S38 PolarHBondContact O-N 3.24Å; H36-S38 VanDerWaalsContact O-N 3.16Å; S38-N40 PolarHBondContact O-N 3.12Å
39	Y	33.4	Very low	44	Very low	215 Å²	215	127.1 Å²	127.1	84%	0.843	67%	0.668	S	S	*	*	S	Bend	trans	-55.6	66.1	176.9	-103.9	-94.6	0	0	0	112.7	P37	P37-Y39 PolarHBondContact O-N 3.16Å
40	N	30.8	Very low	44.8	Very low	114 Å²	114	126.6 Å²	126.6	61%	0.61	66%	0.662	S	S	*	*			trans	-118.8	89.2	171.4	-81.4	-25.4	0	0	0	107.4	S38 G42	S38-N40 PolarHBondContact O-N 3.12Å; N40-G42 PolarHBondContact O-N 3.29Å
41	F	37.9	Very low	46.9	Very low	190 Å²	190	128.1 Å²	128.1	83%	0.833	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-36	107.4	168.9	-104.5	-93.1	0	0	0	111.4	F43	F41-F43 WeakPolarHBondContact O-CD2 3.45Å; F41-F43 PolarHBondContact O-N 2.98Å
42	G	41.4	Very low	49.1	Very low	70 Å²	70	123.3 Å²	123.3	72%	0.722	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.3	10.3	159.6	0	0	0	0	0	118.1	N40 R44	N40-G42 PolarHBondContact O-N 3.29Å; G42-R44 VanDerWaalsContact C-N 3.33Å; G42-R44 PolarHBondContact O-N 2.89Å
43	F	38.1	Very low	51.2	Low	150 Å²	150	118.2 Å²	118.2	66%	0.658	61%	0.61	S	S	*	*			trans	-78.1	92	165.8	-71.4	-77.3	0	0	0	106.7	F41 S45	F41-F43 WeakPolarHBondContact O-CD2 3.45Å; F41-F43 PolarHBondContact O-N 2.98Å; F43-S45 PolarHBondContact O-N 2.79Å
44	R	46	Very low	53.6	Low	161 Å²	161	114.6 Å²	114.6	61%	0.608	60%	0.598	S	S	*	*			trans	-44.2	138.2	147.7	-155.3	173.8	-171.9	-179.4	3.6	105.2	G42 T46	G42-R44 VanDerWaalsContact C-N 3.33Å; G42-R44 PolarHBondContact O-N 2.89Å; R44-T46 PolarHBondContact O-N 3.41Å; R44-T46 PolarHBondContact O-OG1 2.99Å
45	S	41.7	Very low	56.1	Low	86 Å²	86	115.8 Å²	115.8	60%	0.601	58%	0.584	S	S	*	*			trans	-67.3	65.1	179.8	57.9	0	0	0	0	110.7	F43 I47 E48	F43-S45 PolarHBondContact O-N 2.79Å; S45-I47 PolarHBondContact O-N 3.02Å; S45-E48 PolarHBondContact O-N 3.08Å
46	T	48.5	Very low	58.5	Low	21 Å²	21	115.6 Å²	115.6	13%	0.129	57%	0.57	C	S	.	*	G	3₁₀ helix	trans	-70.2	-3.3	-179.9	-33.1	0	0	0	0	111.2	R44 E48 R49 V177	R44-T46 PolarHBondContact O-N 3.41Å; R44-T46 PolarHBondContact O-OG1 2.99Å; T46-E48 PolarHBondContact O-N 2.9Å; T46-R49 PolarHBondContact O-N 3.06Å; T46-V177 HydrophobicContact CG2-CG1 3.34Å
47	I	47.6	Very low	61.4	Low	152 Å²	152	110.1 Å²	110.1	78%	0.779	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-58.1	-32.3	175.1	-60.1	177.1	0	0	0	110.7	S45 R49	S45-I47 PolarHBondContact O-N 3.02Å; I47-R49 VanDerWaalsContact C-N 3.28Å; I47-R49 PolarHBondContact O-N 3.37Å
48	E	51.1	Low	63.8	Low	175 Å²	175	111.7 Å²	111.7	82%	0.818	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-68.8	-19.9	-173.6	-68.3	-160.2	171.7	0	0	115	S45 T46	S45-E48 PolarHBondContact O-N 3.08Å; T46-E48 PolarHBondContact O-N 2.9Å
49	R	63.4	Low	66.6	Low	171 Å²	171	110.2 Å²	110.2	65%	0.645	53%	0.526	S	S	*	.			trans	-127	79.3	175.5	-69.1	-169.1	-168.2	-170.6	3.6	111.2	T46 I47 Q51 R174	T46-R49 PolarHBondContact O-N 3.06Å; I47-R49 VanDerWaalsContact C-N 3.28Å; I47-R49 PolarHBondContact O-N 3.37Å; R49-Q51 PolarHBondContact O-N 3.46Å; R49-R174 WeakPolarHBondContact O-CD 3.29Å; R49-R174 PolarHBondContact O-NE 2.9Å; R49-R174 VanDerWaalsContact O-NE 3.16Å; R49-R174 PolarHBondContact O-NH1 2.61Å
50	N	80.6	Confident	69.2	Low	84 Å²	84	100.9 Å²	100.9	45%	0.449	49%	0.491	S	S	.	.			trans	-84	13.3	171.7	-166.3	19.3	0	0	0	113.2	R171 Q178	N50-R171 PolarHBondContact O-NH1 2.97Å; N50-R171 PolarHBondContact OD1-NH1 3.42Å; N50-R171 PolarHBondContact OD1-NH2 3.16Å; N50-Q178 PolarHBondContact OD1-NE2 3.24Å
51	Q	89	Confident	71.9	Confident	152 Å²	152	102.1 Å²	102.1	71%	0.71	50%	0.498	S	S	*	.	S	Bend	trans	-79.5	145.9	177	-68.8	-179	-6.6	0	0	111.3	R49 R174	R49-Q51 PolarHBondContact O-N 3.46Å; Q51-R174 WeakPolarHBondContact O-CG 3.04Å; Q51-R174 PolarHBondContact O-NE 3.05Å
52	P	93.4	Very high	74.1	Confident	66 Å²	66	95 Å²	95	43%	0.429	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-52	148.2	171.3	-22.7	33.2	0	0	0	112	P170	P52-P170 HydrophobicContact CB-CB 3.74Å
53	M	93.7	Very high	76.2	Confident	3 Å²	3	97.9 Å²	97.9	2%	0.015	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-74.7	144.9	175.9	-68.5	-178.5	64.7	0	0	110.9	E57 P170 A173 R174 V177 V184	M53-E57 WeakPolarHBondContact CA-OE2 3.46Å; M53-E57 HydrophobicContact CE-CB 4.13Å; M53-E57 HydrophobicContact CE-CG 4.07Å; M53-E57 WeakPolarHBondContact CE-O 3.28Å; M53-P170 PolarHBondContact N-O 2.66Å; M53-P170 WeakPolarHBondContact O-CB 3.47Å; M53-A173 HydrophobicContact CB-CB 3.92Å; M53-A173 HydrophobicContact CG-CB 4.01Å; M53-A173 HydrophobicContact SD-CB 3.54Å; M53-A173 VanDerWaalsContact SD-CB 3.54Å; M53-R174 HydrophobicContact CG-CB 4.45Å; M53-V177 HydrophobicContact SD-CG2 3.79Å; M53-V184 HydrophobicContact CE-CG1 4.4Å; M53-V184 HydrophobicContact SD-CB 4.43Å; M53-V184 HydrophobicContact SD-CG1 3.89Å
54	I	94	Very high	78.6	Confident	124 Å²	124	92.2 Å²	92.2	64%	0.636	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-79.2	149	177.4	-58.3	170.5	0	0	0	109.3	K56 E57 F186	I54-K56 PolarHBondContact O-N 3.12Å; I54-E57 HydrophobicContact CB-CB 4.29Å; I54-E57 PolarHBondContact N-OE2 2.91Å; I54-E57 WeakPolarHBondContact O-CB 3Å; I54-E57 PolarHBondContact O-N 2.94Å; I54-F186 VanDerWaalsContact C-CD1 3.49Å; I54-F186 VanDerWaalsContact O-CD1 3.32Å; I54-F186 WeakPolarHBondContact O-CD1 3.5Å
55	Y	95.3	Very high	80.2	Confident	90 Å²	90	87 Å²	87	35%	0.353	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	133	175.2	179.9	-118.9	0	0	0	110.9	E57 F186 R189	Y55-E57 PolarHBondContact O-N 3.41Å; Y55-F186 VanDerWaalsContact CA-CD1 3.41Å; Y55-F186 HydrophobicContact CD2-CD2 4.22Å; Y55-F186 HydrophobicContact CD2-CE1 4.38Å; Y55-F186 HydrophobicContact CD2-CE2 4.05Å; Y55-F186 HydrophobicContact CD2-CG 4.47Å; Y55-F186 HydrophobicContact CD2-CZ 4.12Å; Y55-R189 HydrophobicContact CD2-CG 4.04Å; Y55-R189 HydrophobicContact CE2-CG 3.86Å
56	K	94.7	Very high	81.8	Confident	102 Å²	102	85.7 Å²	85.7	44%	0.443	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	4.7	-172.7	-58.6	-63	-165.5	-175.4	0	116.5	I54 Y185 F186 E187	I54-K56 PolarHBondContact O-N 3.12Å; K56-Y185 HydrophobicContact CD-CE2 4.18Å; K56-Y185 WeakPolarHBondContact CD-OH 3.07Å; K56-F186 WeakPolarHBondContact CA-O 3.4Å; K56-F186 PolarHBondContact N-O 3.47Å; K56-E187 WeakPolarHBondContact CE-O 3.28Å; K56-E187 PolarHBondContact NZ-O 2.89Å
57	E	94	Very high	82.7	Confident	46 Å²	46	87.5 Å²	87.5	22%	0.215	42%	0.423	C	S	.	.			trans	-71.1	141.2	171.5	-169.7	-174.7	164.2	0	0	111.2	M53 I54 Y55 R174 Y185 F186	M53-E57 WeakPolarHBondContact CA-OE2 3.46Å; M53-E57 HydrophobicContact CE-CB 4.13Å; M53-E57 HydrophobicContact CE-CG 4.07Å; M53-E57 WeakPolarHBondContact CE-O 3.28Å; I54-E57 HydrophobicContact CB-CB 4.29Å; I54-E57 PolarHBondContact N-OE2 2.91Å; I54-E57 WeakPolarHBondContact O-CB 3Å; I54-E57 PolarHBondContact O-N 2.94Å; Y55-E57 PolarHBondContact O-N 3.41Å; E57-R174 IonicContact OE1-NH2 2.79Å; E57-Y185 WeakPolarHBondContact O-CD2 3.49Å; E57-F186 PolarHBondContact O-N 2.85Å
58	R	93	Very high	83.8	Confident	88 Å²	88	84.3 Å²	84.3	33%	0.332	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.9	173.5	-65.1	163.6	177.6	-179.6	6.6	109.8	P60 N61 W183 V184 Y185	R58-P60 CarbonylContact C-O 3.48Å; R58-P60 CarbonylContact O-C 3.52Å; R58-N61 PolarHBondContact O-N 3.13Å; R58-W183 HydrophobicContact CB-CZ2 4.24Å; R58-W183 HydrophobicContact CG-CH2 4.44Å; R58-W183 HydrophobicContact CG-CZ2 3.72Å; R58-V184 CarbonylContact C-O 3.55Å; R58-V184 VanDerWaalsContact CA-O 3.28Å; R58-V184 WeakPolarHBondContact CA-O 3.07Å; R58-Y185 HydrophobicContact CB-CD2 4.42Å; R58-Y185 HydrophobicContact CG-CD2 3.17Å; R58-Y185 HydrophobicContact CG-CE2 3.75Å; R58-Y185 HydrophobicContact CG-CG 3.68Å; R58-Y185 PolarHBondContact NH2-OH 3.06Å
59	Y	91	Very high	85.4	Confident	54 Å²	54	76 Å²	76	21%	0.212	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.5	175	-176	-91.5	0	0	0	111	V177 W183 V184	Y59-V177 HydrophobicContact CD1-CB 4.18Å; Y59-V177 HydrophobicContact CD1-CG1 3.43Å; Y59-V177 VanDerWaalsContact CD1-CG1 3.43Å; Y59-V177 HydrophobicContact CD1-CG2 3.7Å; Y59-V177 HydrophobicContact CE1-CG1 3.47Å; Y59-V177 VanDerWaalsContact CE1-CG1 3.47Å; Y59-V177 HydrophobicContact CG-CG1 4.08Å; Y59-V177 HydrophobicContact CG-CG2 4.02Å; Y59-W183 CarbonylContact O-C 3.46Å; Y59-W183 WeakPolarHBondContact O-CA 3.48Å; Y59-V184 PolarHBondContact N-O 3.29Å; Y59-V184 PolarHBondContact O-N 3.42Å
60	P	87.4	Confident	86.5	Confident	19 Å²	19	67.9 Å²	67.9	12%	0.123	34%	0.338	C	S	.	.	S	Bend	cis	-59.9	159.5	-11.4	25.9	-32.6	0	0	0	112.1	R58 V62 A69 D182	R58-P60 CarbonylContact C-O 3.48Å; R58-P60 CarbonylContact O-C 3.52Å; P60-V62 HydrophobicContact CB-CG2 4.12Å; P60-V62 HydrophobicContact CG-CG2 3.78Å; P60-V62 PolarHBondContact O-N 3.4Å; P60-A69 HydrophobicContact CG-CB 4.16Å; P60-D182 WeakPolarHBondContact CD-O 3.14Å
61	N	88.5	Confident	86.5	Confident	141 Å²	141	64.1 Å²	64.1	75%	0.754	32%	0.319	S	S	*	.	S	Bend	trans	-77.4	61.5	-180	-171	31	0	0	0	112	R58	R58-N61 PolarHBondContact O-N 3.13Å
62	V	83.8	Confident	86	Confident	41 Å²	41	59.5 Å²	59.5	25%	0.248	30%	0.302	C	S	.	.	S	Bend	trans	-139.3	174.1	175.7	-64.5	0	0	0	0	108.8	P60 H66 A69 W183	P60-V62 HydrophobicContact CB-CG2 4.12Å; P60-V62 HydrophobicContact CG-CG2 3.78Å; P60-V62 PolarHBondContact O-N 3.4Å; V62-H66 HydrophobicContact CB-CB 4Å; V62-H66 HydrophobicContact CG2-CB 3.86Å; V62-A69 HydrophobicContact CG2-CB 3.8Å; V62-W183 PolarHBondContact O-NE1 2.85Å
63	Q	85	Confident	85.4	Confident	130 Å²	130	58 Å²	58	61%	0.607	30%	0.296	S	S	*	.			trans	-64.9	149.6	173.6	-60.9	-174.1	31.5	0	0	111	T65 H66 A69	Q63-T65 VanDerWaalsContact C-N 3.25Å; Q63-T65 PolarHBondContact O-N 3.16Å; Q63-H66 HydrophobicContact CB-CB 4.45Å; Q63-H66 WeakPolarHBondContact O-CB 3.28Å; Q63-H66 PolarHBondContact O-N 2.58Å; Q63-A69 WeakPolarHBondContact O-CB 3Å
64	E	88	Confident	84.3	Confident	31 Å²	31	60.2 Å²	60.2	15%	0.145	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-43.7	178.8	-177.9	-179.7	-161.2	0	0	112.2	H66 A69 S70 G71 L150 W183 H193 S195	E64-H66 PolarHBondContact O-N 3.39Å; E64-A69 WeakPolarHBondContact O-CB 3.26Å; E64-S70 PolarHBondContact O-N 2.83Å; E64-G71 PolarHBondContact O-N 3.18Å; E64-L150 HydrophobicContact CG-CD1 3.81Å; E64-L150 HydrophobicContact CG-CG 4.29Å; E64-L150 WeakPolarHBondContact OE1-CD1 3.38Å; E64-W183 HydrophobicContact CB-CD2 3.8Å; E64-W183 HydrophobicContact CB-CE3 3.77Å; E64-W183 HydrophobicContact CB-CG 4.4Å; E64-W183 HydrophobicContact CB-CH2 3.92Å; E64-W183 HydrophobicContact CB-CZ2 3.97Å; E64-W183 HydrophobicContact CB-CZ3 3.82Å; E64-W183 HydrophobicContact CG-CD2 3.96Å; E64-W183 HydrophobicContact CG-CE3 3.65Å; E64-W183 HydrophobicContact CG-CG 4.41Å; E64-W183 HydrophobicContact CG-CZ3 3.98Å; E64-H193 IonicContact OE1-CD2 3.92Å; E64-H193 IonicContact OE1-NE2 3.7Å; E64-H193 PolarHBondContact OE1-NE2 2.92Å; E64-H193 IonicContact OE2-NE2 2.74Å; E64-S195 WeakPolarHBondContact CG-OG 3.4Å; E64-S195 WeakPolarHBondContact OE1-CB 3.35Å; E64-S195 PolarHBondContact OE1-OG 3.13Å
65	T	80.8	Confident	83.4	Confident	52 Å²	52	57.1 Å²	57.1	32%	0.319	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-4.9	-179.4	51.3	0	0	0	0	113.7	Q63 G71 P72	Q63-T65 VanDerWaalsContact C-N 3.25Å; Q63-T65 PolarHBondContact O-N 3.16Å; T65-G71 WeakPolarHBondContact CA-O 3.2Å; T65-G71 CarbonylContact O-C 3.6Å; T65-G71 WeakPolarHBondContact O-CA 3.47Å; T65-P72 VanDerWaalsContact O-N 3.12Å
66	H	74.5	Confident	82.8	Confident	58 Å²	58	55.8 Å²	55.8	27%	0.269	28%	0.284	S	S	.	.	S	Bend	trans	-66.7	143.4	180	-166.4	-91	0	0	0	110.9	V62 Q63 E64 L68 A69 G71	V62-H66 HydrophobicContact CB-CB 4Å; V62-H66 HydrophobicContact CG2-CB 3.86Å; Q63-H66 HydrophobicContact CB-CB 4.45Å; Q63-H66 WeakPolarHBondContact O-CB 3.28Å; Q63-H66 PolarHBondContact O-N 2.58Å; E64-H66 PolarHBondContact O-N 3.39Å; H66-L68 WeakPolarHBondContact ND1-CB 3.33Å; H66-L68 PolarHBondContact ND1-N 2.72Å; H66-L68 PolarHBondContact O-N 3.21Å; H66-L68 VanDerWaalsContact O-N 3.15Å; H66-A69 HydrophobicContact CB-CB 4.36Å; H66-A69 CarbonylContact O-C 3.52Å; H66-A69 WeakPolarHBondContact O-CA 3.42Å; H66-A69 WeakPolarHBondContact O-CB 3.29Å; H66-A69 PolarHBondContact O-N 3.32Å; H66-G71 PolarHBondContact O-N 3.24Å; H66-G71 VanDerWaalsContact O-N 3.16Å
67	P	67.1	Low	82.3	Confident	59 Å²	59	51.7 Å²	51.7	38%	0.383	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-31.4	-179.9	-29.2	35.9	0	0	0	115.4	A69	P67-A69 VanDerWaalsContact C-N 3.27Å; P67-A69 PolarHBondContact O-N 3.06Å
68	L	71.9	Confident	81.9	Confident	85 Å²	85	56.3 Å²	56.3	45%	0.445	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-15.8	174.8	-62.9	176.3	0	0	0	113.8	H66	H66-L68 WeakPolarHBondContact ND1-CB 3.33Å; H66-L68 PolarHBondContact ND1-N 2.72Å; H66-L68 PolarHBondContact O-N 3.21Å; H66-L68 VanDerWaalsContact O-N 3.15Å
69	A	83.4	Confident	81.6	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-127.5	178.1	0	0	0	0	0	109.9	P60 V62 Q63 E64 H66 P67 W183 K197	P60-A69 HydrophobicContact CG-CB 4.16Å; V62-A69 HydrophobicContact CG2-CB 3.8Å; Q63-A69 WeakPolarHBondContact O-CB 3Å; E64-A69 WeakPolarHBondContact O-CB 3.26Å; H66-A69 HydrophobicContact CB-CB 4.36Å; H66-A69 CarbonylContact O-C 3.52Å; H66-A69 WeakPolarHBondContact O-CA 3.42Å; H66-A69 WeakPolarHBondContact O-CB 3.29Å; H66-A69 PolarHBondContact O-N 3.32Å; P67-A69 VanDerWaalsContact C-N 3.27Å; P67-A69 PolarHBondContact O-N 3.06Å; A69-W183 HydrophobicContact CB-CB 4.03Å; A69-W183 HydrophobicContact CB-CG 4.05Å; A69-K197 WeakPolarHBondContact O-CE 3.38Å; A69-K197 WeakPolarHBondContact O-CG 3.29Å
70	S	88.1	Confident	81.2	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.007	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-12.7	-178.7	-63.9	0	0	0	0	113.1	E64 L150 R155 W183 S195 V196 K197	E64-S70 PolarHBondContact O-N 2.83Å; S70-L150 VanDerWaalsContact CB-CD1 3.41Å; S70-R155 PolarHBondContact O-NH1 3.18Å; S70-W183 WeakPolarHBondContact OG-CB 3.42Å; S70-S195 WeakPolarHBondContact CB-OG 3.42Å; S70-S195 WeakPolarHBondContact OG-CB 3.38Å; S70-S195 PolarHBondContact OG-O 3.14Å; S70-S195 PolarHBondContact OG-OG 3.01Å; S70-V196 PolarHBondContact OG-N 3.07Å; S70-K197 WeakPolarHBondContact O-CA 3.5Å
71	G	80.4	Confident	80.8	Confident	5 Å²	5	63 Å²	63	5%	0.052	32%	0.319	C	S	.	.			trans	78.3	169.3	-179	0	0	0	0	0	113.2	E64 T65 H66	E64-G71 PolarHBondContact O-N 3.18Å; T65-G71 WeakPolarHBondContact CA-O 3.2Å; T65-G71 CarbonylContact O-C 3.6Å; T65-G71 WeakPolarHBondContact O-CA 3.47Å; H66-G71 PolarHBondContact O-N 3.24Å; H66-G71 VanDerWaalsContact O-N 3.16Å
72	P	78.2	Confident	80.4	Confident	54 Å²	54	61.7 Å²	61.7	35%	0.351	32%	0.316	S	S	.	.			trans	-62.1	154.2	-171.1	26.5	-35.3	0	0	0	111.7	T65 E74 R155	T65-P72 VanDerWaalsContact O-N 3.12Å; P72-E74 PolarHBondContact O-N 3.28Å; P72-R155 PolarHBondContact O-NH2 2.79Å
73	A	79.6	Confident	80.1	Confident	36 Å²	36	63 Å²	63	30%	0.298	32%	0.317	S	S	.	.			trans	-63.7	126.8	164.9	0	0	0	0	0	108.6	L150 E153	A73-L150 HydrophobicContact CB-CD2 3.9Å; A73-E153 VanDerWaalsContact C-OE1 3.26Å; A73-E153 VanDerWaalsContact CA-OE1 3.25Å; A73-E153 WeakPolarHBondContact CA-OE1 3.37Å
74	E	72	Confident	80.1	Confident	49 Å²	49	58.7 Å²	58.7	23%	0.229	30%	0.296	C	S	.	.			trans	-75.1	-70.5	174	-62.7	-178.7	-164	0	0	110.1	P72 R83 E153 S198 N200 S263	P72-E74 PolarHBondContact O-N 3.28Å; E74-R83 IonicContact OE2-NH1 2.71Å; E74-E153 WeakPolarHBondContact CA-OE1 3.35Å; E74-E153 PolarHBondContact N-OE1 3.28Å; E74-E153 PolarHBondContact N-OE2 3.21Å; E74-S198 WeakPolarHBondContact OE1-CB 3.39Å; E74-S198 PolarHBondContact OE1-OG 3.48Å; E74-N200 PolarHBondContact OE2-ND2 3.31Å; E74-S263 PolarHBondContact O-OG 3.02Å
75	L	73.9	Confident	79.9	Confident	58 Å²	58	65.9 Å²	65.9	30%	0.304	33%	0.327	S	S	.	.			trans	-162.5	146.1	-174.2	-74.9	-179.4	0	0	0	110.6	I77 E153 S263	L75-I77 PolarHBondContact O-N 2.81Å; L75-E153 PolarHBondContact N-OE1 2.99Å; L75-E153 WeakPolarHBondContact O-CG 3.28Å; L75-S263 VanDerWaalsContact CD2-OG 3.25Å; L75-S263 WeakPolarHBondContact CD2-OG 3.32Å
76	R	83.4	Confident	80	Confident	63 Å²	63	69.9 Å²	69.9	24%	0.238	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-64.9	124.5	170.1	174.7	174.7	-168.7	121	8.8	110.8	E141 R142 N143 Y152	R76-E141 PolarHBondContact NH2-O 3.17Å; R76-R142 PolarHBondContact NH2-O 3.09Å; R76-N143 PolarHBondContact NH1-OD1 3.49Å; R76-N143 PolarHBondContact NH2-OD1 3.45Å; R76-Y152 HydrophobicContact CB-CG 4.41Å; R76-Y152 HydrophobicContact CG-CD1 4.41Å; R76-Y152 HydrophobicContact CG-CG 4.19Å
77	I	83.7	Confident	80.8	Confident	16 Å²	16	68.2 Å²	68.2	8%	0.082	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-94.5	122.2	176.7	-57	177.4	0	0	0	109.3	L75 D81 R83 F84 L87 W139 Y152 E153	L75-I77 PolarHBondContact O-N 2.81Å; I77-D81 HydrophobicContact CG2-CB 4.42Å; I77-R83 HydrophobicContact CD1-CB 4.14Å; I77-R83 HydrophobicContact CG1-CB 4.19Å; I77-R83 HydrophobicContact CG2-CB 4.31Å; I77-F84 HydrophobicContact CG2-CB 3.7Å; I77-F84 HydrophobicContact CG2-CD2 4Å; I77-F84 HydrophobicContact CG2-CG 4.37Å; I77-L87 HydrophobicContact CD1-CD1 4.18Å; I77-L87 HydrophobicContact CD1-CD2 4.23Å; I77-L87 HydrophobicContact CD1-CG 4.37Å; I77-L87 HydrophobicContact CG2-CD1 4.14Å; I77-W139 WeakPolarHBondContact O-CZ2 3.32Å; I77-W139 PolarHBondContact O-NE1 2.87Å; I77-W139 VanDerWaalsContact O-NE1 3.15Å; I77-Y152 PolarHBondContact N-O 2.83Å; I77-E153 HydrophobicContact CD1-CB 4.48Å
78	R	86.5	Confident	82	Confident	143 Å²	143	66.7 Å²	66.7	54%	0.54	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-99.8	158.1	171.7	-61.3	179.9	177.4	-123.7	1.6	110.5	N80 D81 F84	R78-N80 WeakPolarHBondContact CB-OD1 3.29Å; R78-N80 PolarHBondContact O-N 3.4Å; R78-N80 VanDerWaalsContact O-N 3.1Å; R78-D81 PolarHBondContact N-OD2 3.46Å; R78-D81 WeakPolarHBondContact O-CB 3.43Å; R78-D81 PolarHBondContact O-N 3.34Å; R78-F84 WeakPolarHBondContact O-CB 3.22Å
79	R	85.4	Confident	83	Confident	110 Å²	110	66.5 Å²	66.5	42%	0.415	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31	-179.8	-68.7	-163.9	-178.4	-121.1	-8.5	114.3	F84 T103 W139 E141	R79-F84 HydrophobicContact CG-CE2 4.3Å; R79-F84 HydrophobicContact CG-CZ 4.19Å; R79-T103 PolarHBondContact NH2-O 2.93Å; R79-W139 HydrophobicContact CG-CH2 3.57Å; R79-W139 HydrophobicContact CG-CZ2 4.45Å; R79-W139 HydrophobicContact CG-CZ3 4.32Å; R79-E141 WeakPolarHBondContact CD-OE1 3.15Å; R79-E141 WeakPolarHBondContact CG-OE1 3.42Å; R79-E141 IonicContact CZ-OE1 3.82Å; R79-E141 IonicContact CZ-OE2 3.84Å; R79-E141 VanDerWaalsContact CZ-OE2 3.3Å; R79-E141 IonicContact NE-OE1 3.85Å; R79-E141 PolarHBondContact NE-OE1 2.99Å; R79-E141 IonicContact NE-OE2 3.47Å; R79-E141 PolarHBondContact NE-OE2 3.26Å; R79-E141 IonicContact NH2-OE2 3.93Å; R79-E141 PolarHBondContact NH2-OE2 3.11Å
80	N	84	Confident	83.6	Confident	136 Å²	136	66.6 Å²	66.6	73%	0.727	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-8.1	180	62.8	-26	0	0	0	113.6	R78	R78-N80 WeakPolarHBondContact CB-OD1 3.29Å; R78-N80 PolarHBondContact O-N 3.4Å; R78-N80 VanDerWaalsContact O-N 3.1Å
81	D	79.3	Confident	83.9	Confident	55 Å²	55	71.9 Å²	71.9	29%	0.294	35%	0.351	S	S	.	.	S	Bend	trans	-74.9	145.2	-179.3	-67.2	-24	0	0	0	111.5	I77 R78 R83 F84	I77-D81 HydrophobicContact CG2-CB 4.42Å; R78-D81 PolarHBondContact N-OD2 3.46Å; R78-D81 WeakPolarHBondContact O-CB 3.43Å; R78-D81 PolarHBondContact O-N 3.34Å; D81-R83 PolarHBondContact O-N 3.49Å; D81-F84 VanDerWaalsContact O-CB 3.29Å; D81-F84 WeakPolarHBondContact O-CB 3.47Å; D81-F84 PolarHBondContact O-N 2.85Å
82	V	79.3	Confident	84.6	Confident	114 Å²	114	73.4 Å²	73.4	69%	0.691	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-59	-31	173.7	-177.9	0	0	0	0	111.4	F84 K85	V82-F84 VanDerWaalsContact C-N 3.3Å; V82-F84 PolarHBondContact O-N 2.93Å; V82-K85 WeakPolarHBondContact O-CB 3.44Å; V82-K85 PolarHBondContact O-N 2.83Å
83	R	77.9	Confident	85.4	Confident	67 Å²	67	81.3 Å²	81.3	25%	0.253	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-67.1	-28.3	177.4	-66.2	-174.7	-179	-163.1	1.8	112.8	E74 I77 D81 K85 R86	E74-R83 IonicContact OE2-NH1 2.71Å; I77-R83 HydrophobicContact CD1-CB 4.14Å; I77-R83 HydrophobicContact CG1-CB 4.19Å; I77-R83 HydrophobicContact CG2-CB 4.31Å; D81-R83 PolarHBondContact O-N 3.49Å; R83-K85 PolarHBondContact O-N 3.5Å; R83-R86 WeakPolarHBondContact O-CB 3.23Å; R83-R86 PolarHBondContact O-N 2.82Å
84	F	84.5	Confident	86.1	Confident	40 Å²	40	83 Å²	83	18%	0.175	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-60.8	-34.4	178.1	-172.9	-100	0	0	0	112	I77 R78 R79 D81 V82 R86 L87 I108 W139	I77-F84 HydrophobicContact CG2-CB 3.7Å; I77-F84 HydrophobicContact CG2-CD2 4Å; I77-F84 HydrophobicContact CG2-CG 4.37Å; R78-F84 WeakPolarHBondContact O-CB 3.22Å; R79-F84 HydrophobicContact CG-CE2 4.3Å; R79-F84 HydrophobicContact CG-CZ 4.19Å; D81-F84 VanDerWaalsContact O-CB 3.29Å; D81-F84 WeakPolarHBondContact O-CB 3.47Å; D81-F84 PolarHBondContact O-N 2.85Å; V82-F84 VanDerWaalsContact C-N 3.3Å; V82-F84 PolarHBondContact O-N 2.93Å; F84-R86 PolarHBondContact O-N 2.83Å; F84-L87 HydrophobicContact CD2-CD1 3.93Å; F84-L87 HydrophobicContact CE2-CD1 4.28Å; F84-L87 WeakPolarHBondContact O-CB 3.4Å; F84-L87 PolarHBondContact O-N 2.96Å; F84-I108 HydrophobicContact CE2-CG2 3.92Å; F84-I108 HydrophobicContact CZ-CG1 4.46Å; F84-I108 HydrophobicContact CZ-CG2 4.24Å; F84-W139 HydrophobicContact CD2-CH2 4.12Å; F84-W139 AromaticContact CD2-CZ2 3.83Å; F84-W139 HydrophobicContact CD2-CZ2 3.83Å; F84-W139 HydrophobicContact CE2-CD2 4.09Å; F84-W139 AromaticContact CE2-CE2 3.87Å; F84-W139 AromaticContact CE2-CE3 3.94Å; F84-W139 HydrophobicContact CE2-CE3 3.94Å; F84-W139 AromaticContact CE2-CH2 3.43Å; F84-W139 HydrophobicContact CE2-CH2 3.43Å; F84-W139 VanDerWaalsContact CE2-CH2 3.43Å; F84-W139 AromaticContact CE2-CZ2 3.55Å; F84-W139 HydrophobicContact CE2-CZ2 3.55Å; F84-W139 AromaticContact CE2-CZ3 3.62Å; F84-W139 HydrophobicContact CE2-CZ3 3.62Å; F84-W139 HydrophobicContact CZ-CH2 4.19Å; F84-W139 HydrophobicContact CZ-CZ3 4.15Å
85	K	83.1	Confident	87.3	Confident	182 Å²	182	81.2 Å²	81.2	79%	0.791	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-60.8	-17.4	176	-61.8	-177.5	178.4	-179.9	0	114	V82 R83	V82-K85 WeakPolarHBondContact O-CB 3.44Å; V82-K85 PolarHBondContact O-N 2.83Å; R83-K85 PolarHBondContact O-N 3.5Å
86	R	84	Confident	88.4	Confident	137 Å²	137	81.4 Å²	81.4	52%	0.517	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-87.8	-18.6	176.9	-60.3	-175.8	-177.3	169.9	5.1	112.8	R83 F84	R83-R86 WeakPolarHBondContact O-CB 3.23Å; R83-R86 PolarHBondContact O-N 2.82Å; F84-R86 PolarHBondContact O-N 2.83Å
87	L	90.8	Very high	89.1	Confident	22 Å²	22	79.1 Å²	79.1	12%	0.115	37%	0.372	C	S	.	.			trans	-71.7	149.9	173.9	-57.5	-179.8	0	0	0	109.4	I77 F84 I108 T110 W139 E153	I77-L87 HydrophobicContact CD1-CD1 4.18Å; I77-L87 HydrophobicContact CD1-CD2 4.23Å; I77-L87 HydrophobicContact CD1-CG 4.37Å; I77-L87 HydrophobicContact CG2-CD1 4.14Å; F84-L87 HydrophobicContact CD2-CD1 3.93Å; F84-L87 HydrophobicContact CE2-CD1 4.28Å; F84-L87 WeakPolarHBondContact O-CB 3.4Å; F84-L87 PolarHBondContact O-N 2.96Å; L87-I108 HydrophobicContact CB-CG2 3.57Å; L87-I108 HydrophobicContact CD1-CG2 3.66Å; L87-I108 HydrophobicContact CG-CG2 4.25Å; L87-T110 HydrophobicContact CD2-CG2 3.8Å; L87-W139 HydrophobicContact CD1-CG 4.36Å; L87-E153 WeakPolarHBondContact CD2-O 3.32Å
88	V	91.8	Very high	89.6	Confident	27 Å²	27	82 Å²	82	16%	0.164	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	144.6	-176.7	-67.3	0	0	0	0	110.5	M109 N111 R114	V88-M109 VanDerWaalsContact CG2-O 3.3Å; V88-M109 WeakPolarHBondContact CG2-O 3.48Å; V88-M109 PolarHBondContact N-O 2.94Å; V88-M109 PolarHBondContact O-N 3.24Å; V88-N111 VanDerWaalsContact CG1-OD1 3.26Å; V88-N111 WeakPolarHBondContact CG1-OD1 3.48Å; V88-R114 HydrophobicContact CG2-CB 4.03Å; V88-R114 HydrophobicContact CG2-CG 4.44Å
89	N	94.7	Very high	89.7	Confident	82 Å²	82	77.1 Å²	77.1	44%	0.439	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	128.9	172.7	-171	-16.6	0	0	0	109.7	R107 I108	N89-R107 CarbonylContact C-O 3.16Å; N89-R107 WeakPolarHBondContact CA-O 3.36Å; N89-R107 WeakPolarHBondContact OD1-CB 3.35Å; N89-I108 HydrophobicContact CB-CD1 4.06Å
90	N	95.7	Very high	89.8	Confident	2 Å²	2	78.4 Å²	78.4	1%	0.011	38%	0.379	C	S	.	.			trans	-90.8	113.7	174.1	-165.6	-15	0	0	0	111.6	N92 F97 R107 M109 R114 N118	N90-N92 VanDerWaalsContact OD1-CB 3.23Å; N90-N92 WeakPolarHBondContact OD1-CB 3.19Å; N90-N92 PolarHBondContact OD1-N 3.29Å; N90-F97 HydrophobicContact CB-CZ 3.94Å; N90-R107 PolarHBondContact N-O 3.24Å; N90-M109 HydrophobicContact CB-CE 3.77Å; N90-M109 HydrophobicContact CB-SD 3.98Å; N90-R114 HydrophobicContact CB-CG 4Å; N90-N118 PolarHBondContact ND2-OD1 2.81Å; N90-N118 PolarHBondContact OD1-OD1 2.8Å
91	T	94.1	Very high	89.8	Confident	111 Å²	111	74.6 Å²	74.6	68%	0.681	36%	0.357	S	S	*	.			trans	-105.2	14.8	-178.1	56.8	0	0	0	0	113.6	R93	T91-R93 PolarHBondContact O-N 3.21Å
92	N	94.4	Very high	90.3	Very high	38 Å²	38	75 Å²	75	20%	0.203	37%	0.373	C	S	.	.			trans	-62.6	120.8	-178.5	-175.2	-11.1	0	0	0	112.2	N90 N94 I95 N118	N90-N92 VanDerWaalsContact OD1-CB 3.23Å; N90-N92 WeakPolarHBondContact OD1-CB 3.19Å; N90-N92 PolarHBondContact OD1-N 3.29Å; N92-N94 PolarHBondContact O-N 2.95Å; N92-N94 WeakPolarHBondContact OD1-CB 3.44Å; N92-N94 PolarHBondContact OD1-N 3.33Å; N92-I95 HydrophobicContact CB-CD1 3.89Å; N92-I95 HydrophobicContact CB-CG1 4.1Å; N92-I95 PolarHBondContact O-N 3.1Å; N92-I95 VanDerWaalsContact O-N 3.15Å; N92-N118 WeakPolarHBondContact CB-OD1 3.38Å; N92-N118 PolarHBondContact ND2-OD1 3.04Å
93	R	95.2	Very high	90.7	Very high	219 Å²	219	72.4 Å²	72.4	83%	0.826	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-13.6	-177.4	-61.1	-178.1	-179.1	-177.5	-0.4	114.5	T91 I95 K132	T91-R93 PolarHBondContact O-N 3.21Å; R93-I95 VanDerWaalsContact C-N 3.26Å; R93-K132 PolarHBondContact O-NZ 3.01Å
94	N	94.4	Very high	91.4	Very high	73 Å²	73	70 Å²	70	39%	0.39	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	4	174.4	-67.3	-23.3	0	0	0	112.8	N92 A121 K132 L133	N92-N94 PolarHBondContact O-N 2.95Å; N92-N94 WeakPolarHBondContact OD1-CB 3.44Å; N92-N94 PolarHBondContact OD1-N 3.33Å; N94-A121 HydrophobicContact CB-CB 4.34Å; N94-K132 WeakPolarHBondContact O-CB 3.5Å; N94-L133 PolarHBondContact O-N 2.96Å
95	I	97.7	Very high	91.8	Very high	11 Å²	11	68.2 Å²	68.2	6%	0.056	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.3	176.8	-53.8	178	0	0	0	109.2	N92 R93 F97 L117 A121 L133 V135	N92-I95 HydrophobicContact CB-CD1 3.89Å; N92-I95 HydrophobicContact CB-CG1 4.1Å; N92-I95 PolarHBondContact O-N 3.1Å; N92-I95 VanDerWaalsContact O-N 3.15Å; R93-I95 VanDerWaalsContact C-N 3.26Å; I95-F97 HydrophobicContact CB-CD2 4.39Å; I95-F97 HydrophobicContact CB-CE2 3.71Å; I95-F97 HydrophobicContact CB-CZ 4.02Å; I95-F97 HydrophobicContact CD1-CZ 4.39Å; I95-F97 HydrophobicContact CG2-CD1 4.45Å; I95-F97 HydrophobicContact CG2-CD2 3.99Å; I95-F97 HydrophobicContact CG2-CE1 4.02Å; I95-F97 HydrophobicContact CG2-CE2 3.51Å; I95-F97 HydrophobicContact CG2-CG 4.45Å; I95-F97 HydrophobicContact CG2-CZ 3.52Å; I95-L117 HydrophobicContact CD1-CD2 3.87Å; I95-L117 HydrophobicContact CD1-CG 3.81Å; I95-A121 HydrophobicContact CD1-CB 4Å; I95-A121 HydrophobicContact CG1-CB 3.56Å; I95-L133 CarbonylContact C-O 3.51Å; I95-L133 WeakPolarHBondContact CA-O 3.46Å; I95-L133 HydrophobicContact CD1-CD2 4.38Å; I95-L133 HydrophobicContact CG1-CB 4.49Å; I95-L133 HydrophobicContact CG1-CD2 4.32Å; I95-V135 HydrophobicContact CG2-CB 4.48Å; I95-V135 HydrophobicContact CG2-CG2 3.62Å
96	V	97.2	Very high	92.4	Very high	61 Å²	61	59.8 Å²	59.8	37%	0.37	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	116	171.1	-178.7	0	0	0	0	107.9	K132 L133 R134 V135	V96-K132 HydrophobicContact CG2-CB 4.14Å; V96-K132 HydrophobicContact CG2-CD 4.2Å; V96-L133 PolarHBondContact N-O 3.47Å; V96-R134 HydrophobicContact CB-CB 4.39Å; V96-R134 HydrophobicContact CB-CG 4.44Å; V96-R134 CarbonylContact O-C 3.53Å; V96-R134 WeakPolarHBondContact O-CA 3.15Å; V96-V135 PolarHBondContact O-N 2.83Å
97	F	97	Very high	92.9	Very high	16 Å²	16	57 Å²	57	7%	0.07	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135.6	174.2	-64.4	-90.7	0	0	0	108.8	N90 I95 D106 R107 M109 V135	N90-F97 HydrophobicContact CB-CZ 3.94Å; I95-F97 HydrophobicContact CB-CD2 4.39Å; I95-F97 HydrophobicContact CB-CE2 3.71Å; I95-F97 HydrophobicContact CB-CZ 4.02Å; I95-F97 HydrophobicContact CD1-CZ 4.39Å; I95-F97 HydrophobicContact CG2-CD1 4.45Å; I95-F97 HydrophobicContact CG2-CD2 3.99Å; I95-F97 HydrophobicContact CG2-CE1 4.02Å; I95-F97 HydrophobicContact CG2-CE2 3.51Å; I95-F97 HydrophobicContact CG2-CG 4.45Å; I95-F97 HydrophobicContact CG2-CZ 3.52Å; F97-D106 HydrophobicContact CB-CB 4.45Å; F97-D106 HydrophobicContact CD1-CB 4.09Å; F97-D106 VanDerWaalsContact CD1-O 3.22Å; F97-D106 WeakPolarHBondContact CD1-O 3.38Å; F97-D106 VanDerWaalsContact CE1-O 3.23Å; F97-D106 WeakPolarHBondContact CE1-O 3.4Å; F97-R107 HydrophobicContact CB-CG 4.24Å; F97-R107 HydrophobicContact CD1-CG 3.86Å; F97-R107 HydrophobicContact CD2-CG 4.08Å; F97-R107 VanDerWaalsContact CD2-NH1 3.25Å; F97-R107 HydrophobicContact CE1-CB 4.46Å; F97-R107 HydrophobicContact CE1-CG 4.21Å; F97-R107 HydrophobicContact CE2-CG 4.4Å; F97-R107 HydrophobicContact CG-CG 3.78Å; F97-R107 HydrophobicContact CZ-CG 4.47Å; F97-M109 HydrophobicContact CE1-CE 4.09Å; F97-V135 HydrophobicContact CD1-CB 3.72Å; F97-V135 HydrophobicContact CD1-CG1 4.02Å; F97-V135 HydrophobicContact CD1-CG2 4.06Å; F97-V135 HydrophobicContact CE1-CB 3.99Å; F97-V135 HydrophobicContact CE1-CG1 4.25Å; F97-V135 HydrophobicContact CE1-CG2 3.81Å
98	K	94.2	Very high	93.2	Very high	76 Å²	76	57 Å²	57	33%	0.33	30%	0.3	S	S	.	.			trans	-67.1	-49.5	179.3	-166.8	-169.3	-166.9	-153.6	0	110.9	E100 V135 I136	K98-E100 VanDerWaalsContact C-N 3.32Å; K98-E100 HydrophobicContact CD-CG 4.09Å; K98-E100 WeakPolarHBondContact CE-OE1 3.26Å; K98-E100 WeakPolarHBondContact CE-OE2 3.46Å; K98-E100 HydrophobicContact CG-CG 4.07Å; K98-E100 IonicContact NZ-OE1 2.8Å; K98-E100 PolarHBondContact NZ-OE1 3.05Å; K98-E100 IonicContact NZ-OE2 2.81Å; K98-E100 PolarHBondContact NZ-OE2 2.8Å; K98-E100 PolarHBondContact O-N 3.3Å; K98-V135 WeakPolarHBondContact CB-O 3.49Å; K98-V135 PolarHBondContact N-O 3.06Å; K98-I136 HydrophobicContact CD-CG2 4.16Å
99	D	89.4	Confident	93.4	Very high	41 Å²	41	55.8 Å²	55.8	22%	0.219	29%	0.292	C	S	.	.			trans	45.8	52.1	175.3	-162.4	14	0	0	0	112.4	E101 G102 T103 G104 D106	D99-E101 PolarHBondContact O-N 2.72Å; D99-G102 PolarHBondContact O-N 2.94Å; D99-G102 PolarHBondContact OD1-N 3.44Å; D99-T103 PolarHBondContact OD1-N 3.07Å; D99-G104 WeakPolarHBondContact OD1-CA 3.4Å; D99-G104 PolarHBondContact OD1-N 3.3Å; D99-G104 PolarHBondContact OD2-N 3.22Å; D99-D106 VanDerWaalsContact CA-OD2 3.25Å; D99-D106 WeakPolarHBondContact CA-OD2 3.46Å; D99-D106 PolarHBondContact N-OD2 3.32Å
100	E	87.9	Confident	93.3	Very high	137 Å²	137	52.3 Å²	52.3	64%	0.64	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-28.6	-179	-96	178.2	179.2	0	0	112.2	K98 G102	K98-E100 VanDerWaalsContact C-N 3.32Å; K98-E100 HydrophobicContact CD-CG 4.09Å; K98-E100 WeakPolarHBondContact CE-OE1 3.26Å; K98-E100 WeakPolarHBondContact CE-OE2 3.46Å; K98-E100 HydrophobicContact CG-CG 4.07Å; K98-E100 IonicContact NZ-OE1 2.8Å; K98-E100 PolarHBondContact NZ-OE1 3.05Å; K98-E100 IonicContact NZ-OE2 2.81Å; K98-E100 PolarHBondContact NZ-OE2 2.8Å; K98-E100 PolarHBondContact O-N 3.3Å; E100-G102 VanDerWaalsContact C-N 3.31Å
101	E	84.3	Confident	93.1	Very high	56 Å²	56	55.2 Å²	55.2	26%	0.262	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-19.9	177.7	-62.5	75.9	-164.8	0	0	112.7	D99 T103	D99-E101 PolarHBondContact O-N 2.72Å; E101-T103 HydrophobicContact CB-CG2 3.94Å; E101-T103 PolarHBondContact O-N 3.12Å
102	G	88.2	Confident	92.9	Very high	62 Å²	62	53.9 Å²	53.9	64%	0.639	27%	0.272	S	S	*	.	S	Bend	trans	66	16.5	-174.1	0	0	0	0	0	113.9	D99 E100	D99-G102 PolarHBondContact O-N 2.94Å; D99-G102 PolarHBondContact OD1-N 3.44Å; E100-G102 VanDerWaalsContact C-N 3.31Å
103	T	88.9	Confident	92.9	Very high	61 Å²	61	52 Å²	52	37%	0.374	26%	0.262	S	S	.	.	S	Bend	trans	-99.4	-7.5	-176.3	64.6	0	0	0	0	112.5	R79 D99 E101 A105	R79-T103 PolarHBondContact NH2-O 2.93Å; D99-T103 PolarHBondContact OD1-N 3.07Å; E101-T103 HydrophobicContact CB-CG2 3.94Å; E101-T103 PolarHBondContact O-N 3.12Å; T103-A105 PolarHBondContact O-N 3.45Å; T103-A105 WeakPolarHBondContact OG1-CB 3.4Å; T103-A105 PolarHBondContact OG1-N 3.46Å
104	G	92.1	Very high	92.9	Very high	15 Å²	15	45.8 Å²	45.8	16%	0.155	24%	0.239	C	C	.	.			trans	72	11.5	-174	0	0	0	0	0	114.1	D99 D106 R107	D99-G104 WeakPolarHBondContact OD1-CA 3.4Å; D99-G104 PolarHBondContact OD1-N 3.3Å; D99-G104 PolarHBondContact OD2-N 3.22Å; G104-D106 VanDerWaalsContact C-N 3.31Å; G104-D106 PolarHBondContact O-N 3.37Å; G104-R107 WeakPolarHBondContact O-CB 3.38Å; G104-R107 PolarHBondContact O-N 2.85Å
105	A	93	Very high	92.8	Very high	4 Å²	4	49 Å²	49	3%	0.033	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-60	-38.8	-174.5	0	0	0	0	0	112.6	T103 R107 I108 W139	T103-A105 PolarHBondContact O-N 3.45Å; T103-A105 WeakPolarHBondContact OG1-CB 3.4Å; T103-A105 PolarHBondContact OG1-N 3.46Å; A105-R107 PolarHBondContact O-N 3.4Å; A105-I108 WeakPolarHBondContact O-CB 3.46Å; A105-I108 PolarHBondContact O-N 2.94Å; A105-W139 HydrophobicContact CB-CE3 3.87Å; A105-W139 HydrophobicContact CB-CZ3 4.12Å; A105-W139 WeakPolarHBondContact CB-O 3.43Å
106	D	94.8	Very high	92.7	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-58.9	-18.1	175	-69.9	-21	0	0	0	114.3	F97 D99 G104 D137 A138	F97-D106 HydrophobicContact CB-CB 4.45Å; F97-D106 HydrophobicContact CD1-CB 4.09Å; F97-D106 VanDerWaalsContact CD1-O 3.22Å; F97-D106 WeakPolarHBondContact CD1-O 3.38Å; F97-D106 VanDerWaalsContact CE1-O 3.23Å; F97-D106 WeakPolarHBondContact CE1-O 3.4Å; D99-D106 VanDerWaalsContact CA-OD2 3.25Å; D99-D106 WeakPolarHBondContact CA-OD2 3.46Å; D99-D106 PolarHBondContact N-OD2 3.32Å; G104-D106 VanDerWaalsContact C-N 3.31Å; G104-D106 PolarHBondContact O-N 3.37Å; D106-D137 WeakPolarHBondContact OD1-CA 3.22Å; D106-A138 WeakPolarHBondContact O-CB 3.46Å
107	R	96.4	Very high	92.7	Very high	78 Å²	78	46.8 Å²	46.8	29%	0.294	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-93	-15.5	178.6	-53.7	174.7	174.2	-84.8	-1.6	112.5	N89 N90 F97 G104 A105	N89-R107 CarbonylContact C-O 3.16Å; N89-R107 WeakPolarHBondContact CA-O 3.36Å; N89-R107 WeakPolarHBondContact OD1-CB 3.35Å; N90-R107 PolarHBondContact N-O 3.24Å; F97-R107 HydrophobicContact CB-CG 4.24Å; F97-R107 HydrophobicContact CD1-CG 3.86Å; F97-R107 HydrophobicContact CD2-CG 4.08Å; F97-R107 VanDerWaalsContact CD2-NH1 3.25Å; F97-R107 HydrophobicContact CE1-CB 4.46Å; F97-R107 HydrophobicContact CE1-CG 4.21Å; F97-R107 HydrophobicContact CE2-CG 4.4Å; F97-R107 HydrophobicContact CG-CG 3.78Å; F97-R107 HydrophobicContact CZ-CG 4.47Å; G104-R107 WeakPolarHBondContact O-CB 3.38Å; G104-R107 PolarHBondContact O-N 2.85Å; A105-R107 PolarHBondContact O-N 3.4Å
108	I	96.3	Very high	92.7	Very high	24 Å²	24	48.5 Å²	48.5	12%	0.123	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.9	-177.9	-56	-56.2	0	0	0	108.9	F84 L87 N89 A105 W139	F84-I108 HydrophobicContact CE2-CG2 3.92Å; F84-I108 HydrophobicContact CZ-CG1 4.46Å; F84-I108 HydrophobicContact CZ-CG2 4.24Å; L87-I108 HydrophobicContact CB-CG2 3.57Å; L87-I108 HydrophobicContact CD1-CG2 3.66Å; L87-I108 HydrophobicContact CG-CG2 4.25Å; N89-I108 HydrophobicContact CB-CD1 4.06Å; A105-I108 WeakPolarHBondContact O-CB 3.46Å; A105-I108 PolarHBondContact O-N 2.94Å; I108-W139 HydrophobicContact CB-CB 4.03Å; I108-W139 HydrophobicContact CB-CD2 4.35Å; I108-W139 HydrophobicContact CB-CE3 3.98Å; I108-W139 HydrophobicContact CB-CG 4.41Å; I108-W139 HydrophobicContact CG1-CE3 4.24Å; I108-W139 HydrophobicContact CG2-CB 4.22Å; I108-W139 HydrophobicContact CG2-CD2 4.17Å; I108-W139 HydrophobicContact CG2-CE3 4.13Å; I108-W139 HydrophobicContact CG2-CG 4.21Å; I108-W139 WeakPolarHBondContact O-CB 3.47Å; I108-W139 PolarHBondContact O-N 2.97Å
109	M	95.3	Very high	92.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	170.3	-179.8	60.5	-166.9	71.1	0	0	111.3	V88 N90 F97 C113 R114 L117 A138 G154	V88-M109 VanDerWaalsContact CG2-O 3.3Å; V88-M109 WeakPolarHBondContact CG2-O 3.48Å; V88-M109 PolarHBondContact N-O 2.94Å; V88-M109 PolarHBondContact O-N 3.24Å; N90-M109 HydrophobicContact CB-CE 3.77Å; N90-M109 HydrophobicContact CB-SD 3.98Å; F97-M109 HydrophobicContact CE1-CE 4.09Å; M109-C113 HydrophobicContact CB-CB 4.06Å; M109-C113 HydrophobicContact CG-CB 4.34Å; M109-C113 HydrophobicContact SD-CB 4.48Å; M109-R114 HydrophobicContact CG-CB 3.91Å; M109-R114 WeakPolarHBondContact SD-CA 3.35Å; M109-R114 HydrophobicContact SD-CB 3.91Å; M109-R114 HydrophobicContact SD-CG 4.48Å; M109-L117 HydrophobicContact CE-CD2 3.68Å; M109-L117 HydrophobicContact SD-CD2 3.77Å; M109-A138 HydrophobicContact CE-CB 4.42Å; M109-G154 CarbonylContact C-O 3.45Å; M109-G154 WeakPolarHBondContact CA-O 3.35Å
110	T	93.3	Very high	93.1	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.055	23%	0.228	C	C	.	.			trans	-65.5	155	169.9	51.4	0	0	0	0	111.8	L87 R112 C113 R114 G154 R155 D199	L87-T110 HydrophobicContact CD2-CG2 3.8Å; T110-R112 VanDerWaalsContact C-N 3.3Å; T110-R112 PolarHBondContact O-N 2.77Å; T110-C113 PolarHBondContact O-N 3.35Å; T110-C113 WeakPolarHBondContact OG1-CB 3.16Å; T110-C113 PolarHBondContact OG1-N 3.37Å; T110-R114 WeakPolarHBondContact O-CB 2.99Å; T110-R114 PolarHBondContact O-N 2.81Å; T110-G154 PolarHBondContact N-O 3.36Å; T110-G154 PolarHBondContact OG1-O 2.86Å; T110-G154 VanDerWaalsContact OG1-O 3.05Å; T110-R155 HydrophobicContact CG2-CG 3.61Å; T110-D199 WeakPolarHBondContact CB-OD2 3.39Å
111	N	90.5	Very high	93.5	Very high	63 Å²	63	38.9 Å²	38.9	34%	0.337	20%	0.198	S	C	.	.	H	α-helix	trans	-57.8	-41.2	177.5	-80.4	-64.8	0	0	0	112.3	V88 R114 Y115 D199	V88-N111 VanDerWaalsContact CG1-OD1 3.26Å; V88-N111 WeakPolarHBondContact CG1-OD1 3.48Å; N111-R114 PolarHBondContact O-N 3.45Å; N111-R114 PolarHBondContact OD1-NH2 3.5Å; N111-R114 VanDerWaalsContact OD1-NH2 3.1Å; N111-Y115 WeakPolarHBondContact O-CB 3.17Å; N111-Y115 PolarHBondContact O-N 3.49Å; N111-D199 WeakPolarHBondContact CB-OD2 3.41Å; N111-D199 PolarHBondContact N-OD1 3.31Å; N111-D199 PolarHBondContact N-OD2 3.17Å
112	R	89.8	Confident	94	Very high	83 Å²	83	40.6 Å²	40.6	31%	0.313	21%	0.208	S	C	.	.	H	α-helix	trans	-63.5	-46.9	175.3	-175.3	-177	179	81.4	-2.4	110.5	T110 R114 Y115 K116 D182 V196 K197 D199	T110-R112 VanDerWaalsContact C-N 3.3Å; T110-R112 PolarHBondContact O-N 2.77Å; R112-R114 VanDerWaalsContact C-N 3.34Å; R112-R114 PolarHBondContact O-N 2.88Å; R112-Y115 PolarHBondContact O-N 3.23Å; R112-K116 HydrophobicContact CG-CG 4.45Å; R112-K116 WeakPolarHBondContact O-CG 3.42Å; R112-K116 PolarHBondContact O-N 2.82Å; R112-D182 IonicContact CZ-OD1 2.71Å; R112-D182 IonicContact CZ-OD2 2.96Å; R112-D182 VanDerWaalsContact CZ-OD2 3.3Å; R112-D182 IonicContact NE-OD2 2.9Å; R112-D182 PolarHBondContact NE-OD2 3.26Å; R112-D182 VanDerWaalsContact NH2-CG 3.29Å; R112-D182 IonicContact NH2-OD1 2.67Å; R112-D182 PolarHBondContact NH2-OD1 3.04Å; R112-D182 IonicContact NH2-OD2 3.08Å; R112-D182 PolarHBondContact NH2-OD2 2.65Å; R112-V196 HydrophobicContact CB-CG2 4.37Å; R112-V196 HydrophobicContact CG-CB 4.12Å; R112-V196 HydrophobicContact CG-CG1 4.42Å; R112-V196 HydrophobicContact CG-CG2 4.28Å; R112-K197 VanDerWaalsContact CD-O 3.23Å; R112-K197 WeakPolarHBondContact CD-O 3.42Å; R112-D199 WeakPolarHBondContact CA-OD1 2.93Å; R112-D199 WeakPolarHBondContact CB-OD1 3.22Å; R112-D199 PolarHBondContact N-OD1 2.82Å
113	C	95	Very high	94.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.8	-47.1	177.9	-171.2	0	0	0	0	110.6	M109 T110 Y115 K116 L117 V196	M109-C113 HydrophobicContact CB-CB 4.06Å; M109-C113 HydrophobicContact CG-CB 4.34Å; M109-C113 HydrophobicContact SD-CB 4.48Å; T110-C113 PolarHBondContact O-N 3.35Å; T110-C113 WeakPolarHBondContact OG1-CB 3.16Å; T110-C113 PolarHBondContact OG1-N 3.37Å; C113-Y115 VanDerWaalsContact C-N 3.32Å; C113-Y115 PolarHBondContact O-N 3.46Å; C113-K116 PolarHBondContact O-N 2.89Å; C113-L117 WeakPolarHBondContact O-CB 3.47Å; C113-L117 PolarHBondContact O-N 2.86Å; C113-V196 HydrophobicContact CB-CG2 3.63Å
114	R	96.2	Very high	94.8	Very high	87 Å²	87	37 Å²	37	33%	0.328	17%	0.172	S	C	.	.	H	α-helix	trans	-54.3	-46.9	174.7	-174	-172.1	66.2	-174.2	-3.1	112.1	V88 N90 M109 T110 N111 R112 N118	V88-R114 HydrophobicContact CG2-CB 4.03Å; V88-R114 HydrophobicContact CG2-CG 4.44Å; N90-R114 HydrophobicContact CB-CG 4Å; M109-R114 HydrophobicContact CG-CB 3.91Å; M109-R114 WeakPolarHBondContact SD-CA 3.35Å; M109-R114 HydrophobicContact SD-CB 3.91Å; M109-R114 HydrophobicContact SD-CG 4.48Å; T110-R114 WeakPolarHBondContact O-CB 2.99Å; T110-R114 PolarHBondContact O-N 2.81Å; N111-R114 PolarHBondContact O-N 3.45Å; N111-R114 PolarHBondContact OD1-NH2 3.5Å; N111-R114 VanDerWaalsContact OD1-NH2 3.1Å; R112-R114 VanDerWaalsContact C-N 3.34Å; R112-R114 PolarHBondContact O-N 2.88Å; R114-N118 WeakPolarHBondContact O-CB 3.37Å; R114-N118 PolarHBondContact O-N 2.95Å; R114-N118 PolarHBondContact O-ND2 2.83Å; R114-N118 PolarHBondContact O-OD1 2.81Å
115	Y	92.3	Very high	95	Very high	141 Å²	141	37.9 Å²	37.9	55%	0.553	18%	0.175	S	C	*	.	H	α-helix	trans	-62	-48.7	179.4	179.9	-98.8	0	0	0	111.9	N111 R112 C113 L117 N118 L119	N111-Y115 WeakPolarHBondContact O-CB 3.17Å; N111-Y115 PolarHBondContact O-N 3.49Å; R112-Y115 PolarHBondContact O-N 3.23Å; C113-Y115 VanDerWaalsContact C-N 3.32Å; C113-Y115 PolarHBondContact O-N 3.46Å; Y115-L117 PolarHBondContact O-N 3.27Å; Y115-N118 PolarHBondContact O-N 2.82Å; Y115-L119 HydrophobicContact CD1-CD1 4.05Å; Y115-L119 HydrophobicContact CE1-CD1 3.44Å; Y115-L119 VanDerWaalsContact CE1-CD1 3.44Å; Y115-L119 HydrophobicContact CE1-CG 4.23Å; Y115-L119 PolarHBondContact O-N 3Å
116	K	94.5	Very high	95	Very high	26 Å²	26	43.3 Å²	43.3	11%	0.113	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-39.9	178.9	-64	-57.8	-175.1	171	0	112.5	R112 C113 N118 L119 L120 A179 G180 F181 V196	R112-K116 HydrophobicContact CG-CG 4.45Å; R112-K116 WeakPolarHBondContact O-CG 3.42Å; R112-K116 PolarHBondContact O-N 2.82Å; C113-K116 PolarHBondContact O-N 2.89Å; K116-N118 VanDerWaalsContact C-N 3.34Å; K116-N118 PolarHBondContact O-N 3.48Å; K116-L119 PolarHBondContact O-N 2.96Å; K116-L120 WeakPolarHBondContact O-CB 3.33Å; K116-L120 PolarHBondContact O-N 3.46Å; K116-A179 VanDerWaalsContact CD-O 3.26Å; K116-A179 WeakPolarHBondContact CD-O 3.35Å; K116-A179 PolarHBondContact NZ-O 3.43Å; K116-G180 VanDerWaalsContact CD-O 3.29Å; K116-G180 WeakPolarHBondContact CD-O 3.32Å; K116-G180 WeakPolarHBondContact CE-O 3.49Å; K116-G180 PolarHBondContact NZ-O 3.43Å; K116-G180 VanDerWaalsContact NZ-O 3.11Å; K116-F181 HydrophobicContact CB-CD1 4.43Å; K116-F181 HydrophobicContact CB-CD2 4.09Å; K116-F181 HydrophobicContact CB-CE1 4.2Å; K116-F181 HydrophobicContact CB-CE2 3.84Å; K116-F181 HydrophobicContact CB-CG 4.39Å; K116-F181 HydrophobicContact CB-CZ 3.91Å; K116-V196 HydrophobicContact CB-CG1 4.18Å; K116-V196 HydrophobicContact CG-CG1 3.89Å
117	L	97.2	Very high	95.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-37.9	176.6	-165	72	0	0	0	112	I95 M109 C113 Y115 L120 A121 L133 V135 V157 I159 F181	I95-L117 HydrophobicContact CD1-CD2 3.87Å; I95-L117 HydrophobicContact CD1-CG 3.81Å; M109-L117 HydrophobicContact CE-CD2 3.68Å; M109-L117 HydrophobicContact SD-CD2 3.77Å; C113-L117 WeakPolarHBondContact O-CB 3.47Å; C113-L117 PolarHBondContact O-N 2.86Å; Y115-L117 PolarHBondContact O-N 3.27Å; L117-L120 PolarHBondContact O-N 3.49Å; L117-A121 WeakPolarHBondContact O-CB 3.46Å; L117-A121 PolarHBondContact O-N 3.31Å; L117-L133 HydrophobicContact CD1-CD2 3.63Å; L117-L133 HydrophobicContact CG-CD2 3.99Å; L117-V135 HydrophobicContact CD1-CG2 4.2Å; L117-V135 HydrophobicContact CD2-CG2 3.85Å; L117-V157 HydrophobicContact CD1-CG1 4.49Å; L117-V157 HydrophobicContact CD1-CG2 4.11Å; L117-I159 HydrophobicContact CD1-CG2 4.03Å; L117-F181 HydrophobicContact CB-CZ 4.31Å; L117-F181 HydrophobicContact CD1-CZ 4.08Å
118	N	96.4	Very high	95.1	Very high	51 Å²	51	45.4 Å²	45.4	27%	0.273	21%	0.214	S	C	.	.	H	α-helix	trans	-67.5	-40.2	175.6	-73	-10.4	0	0	0	112.5	N90 N92 R114 Y115 K116 L120 A121 L122	N90-N118 PolarHBondContact ND2-OD1 2.81Å; N90-N118 PolarHBondContact OD1-OD1 2.8Å; N92-N118 WeakPolarHBondContact CB-OD1 3.38Å; N92-N118 PolarHBondContact ND2-OD1 3.04Å; R114-N118 WeakPolarHBondContact O-CB 3.37Å; R114-N118 PolarHBondContact O-N 2.95Å; R114-N118 PolarHBondContact O-ND2 2.83Å; R114-N118 PolarHBondContact O-OD1 2.81Å; Y115-N118 PolarHBondContact O-N 2.82Å; K116-N118 VanDerWaalsContact C-N 3.34Å; K116-N118 PolarHBondContact O-N 3.48Å; N118-L120 VanDerWaalsContact C-N 3.34Å; N118-A121 PolarHBondContact O-N 3.45Å; N118-L122 PolarHBondContact O-N 2.83Å; N118-L122 VanDerWaalsContact O-N 3.13Å
119	L	95.2	Very high	95.1	Very high	53 Å²	53	49.8 Å²	49.8	28%	0.277	24%	0.244	S	C	.	.	H	α-helix	trans	-62.3	-43.2	172.1	-71.3	179.6	0	0	0	111.3	Y115 K116 A121 L122 L123 A179	Y115-L119 HydrophobicContact CD1-CD1 4.05Å; Y115-L119 HydrophobicContact CE1-CD1 3.44Å; Y115-L119 VanDerWaalsContact CE1-CD1 3.44Å; Y115-L119 HydrophobicContact CE1-CG 4.23Å; Y115-L119 PolarHBondContact O-N 3Å; K116-L119 PolarHBondContact O-N 2.96Å; L119-A121 VanDerWaalsContact C-N 3.35Å; L119-A121 PolarHBondContact O-N 2.91Å; L119-L122 WeakPolarHBondContact O-CB 3.28Å; L119-L122 PolarHBondContact O-N 3.45Å; L119-L123 WeakPolarHBondContact O-CG 3.29Å; L119-L123 PolarHBondContact O-N 3.25Å; L119-A179 HydrophobicContact CB-CB 4.28Å
120	L	97.2	Very high	95.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-42.2	176.3	-179.6	55.5	0	0	0	112.2	K116 L117 N118 L122 L123 V124 L133 I159 L172 L175 A176 A179 F181	K116-L120 WeakPolarHBondContact O-CB 3.33Å; K116-L120 PolarHBondContact O-N 3.46Å; L117-L120 PolarHBondContact O-N 3.49Å; N118-L120 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 2.88Å; L120-L123 PolarHBondContact O-N 3.44Å; L120-L123 VanDerWaalsContact O-N 3.13Å; L120-V124 HydrophobicContact CD1-CG2 4.06Å; L120-V124 HydrophobicContact CG-CG2 4.33Å; L120-V124 WeakPolarHBondContact O-CG2 3.38Å; L120-V124 PolarHBondContact O-N 3.17Å; L120-L133 HydrophobicContact CB-CD2 4.3Å; L120-L133 HydrophobicContact CD2-CD1 4.1Å; L120-L133 HydrophobicContact CD2-CD2 4.18Å; L120-L133 HydrophobicContact CG-CD1 4.18Å; L120-L133 HydrophobicContact CG-CD2 4.05Å; L120-I159 HydrophobicContact CD2-CD1 3.29Å; L120-L172 HydrophobicContact CD1-CD1 4.36Å; L120-L175 VanDerWaalsContact CD1-C 3.45Å; L120-L175 HydrophobicContact CD1-CB 3.63Å; L120-A176 HydrophobicContact CD1-CB 4.36Å; L120-A176 HydrophobicContact CD2-CB 3.86Å; L120-A179 HydrophobicContact CB-CB 3.77Å; L120-A179 HydrophobicContact CD1-CB 4.33Å; L120-F181 HydrophobicContact CB-CE2 4.07Å; L120-F181 HydrophobicContact CD2-CE2 3.8Å; L120-F181 HydrophobicContact CD2-CZ 4.44Å
121	A	97.5	Very high	95.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59	-38.8	176.1	0	0	0	0	0	111.9	N94 I95 L117 N118 L119 S125 L133	N94-A121 HydrophobicContact CB-CB 4.34Å; I95-A121 HydrophobicContact CD1-CB 4Å; I95-A121 HydrophobicContact CG1-CB 3.56Å; L117-A121 WeakPolarHBondContact O-CB 3.46Å; L117-A121 PolarHBondContact O-N 3.31Å; N118-A121 PolarHBondContact O-N 3.45Å; L119-A121 VanDerWaalsContact C-N 3.35Å; L119-A121 PolarHBondContact O-N 2.91Å; A121-S125 PolarHBondContact O-N 3.46Å; A121-S125 VanDerWaalsContact O-N 3.1Å; A121-S125 PolarHBondContact O-OG 2.87Å; A121-S125 VanDerWaalsContact O-OG 3.11Å; A121-L133 HydrophobicContact CB-CB 4.11Å; A121-L133 HydrophobicContact CB-CD2 4.07Å
122	L	95.2	Very high	95.7	Very high	92 Å²	92	55.2 Å²	55.2	48%	0.482	29%	0.289	S	S	.	.	H	α-helix	trans	-65.1	-45.1	173.6	-177.4	149.2	0	0	0	111.7	N118 L119 L120 V124 S125 N126	N118-L122 PolarHBondContact O-N 2.83Å; N118-L122 VanDerWaalsContact O-N 3.13Å; L119-L122 WeakPolarHBondContact O-CB 3.28Å; L119-L122 PolarHBondContact O-N 3.45Å; L120-L122 PolarHBondContact O-N 2.88Å; L122-V124 PolarHBondContact O-N 3.28Å; L122-S125 PolarHBondContact O-N 2.86Å; L122-N126 WeakPolarHBondContact CD2-ND2 3.43Å; L122-N126 WeakPolarHBondContact O-CB 3.4Å; L122-N126 VanDerWaalsContact O-CG 3.29Å; L122-N126 PolarHBondContact O-N 3.44Å
123	L	95.5	Very high	96.1	Very high	47 Å²	47	51.3 Å²	51.3	25%	0.246	27%	0.274	C	S	.	.	H	α-helix	trans	-62.5	-40.6	177.3	-67.8	-179.7	0	0	0	112.6	L119 L120 N126 F127 L175 Q178 A179	L119-L123 WeakPolarHBondContact O-CG 3.29Å; L119-L123 PolarHBondContact O-N 3.25Å; L120-L123 PolarHBondContact O-N 3.44Å; L120-L123 VanDerWaalsContact O-N 3.13Å; L123-N126 PolarHBondContact O-N 3.46Å; L123-F127 VanDerWaalsContact O-CB 3.31Å; L123-F127 WeakPolarHBondContact O-CB 3.23Å; L123-F127 PolarHBondContact O-N 3.33Å; L123-L175 HydrophobicContact CB-CD2 4.36Å; L123-Q178 HydrophobicContact CD1-CB 4Å; L123-A179 HydrophobicContact CD1-CB 3.98Å
124	V	97.3	Very high	96.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-49	177.5	167	0	0	0	0	110.8	L120 L122 N126 F127 W128 V131 L133 L172 L175	L120-V124 HydrophobicContact CD1-CG2 4.06Å; L120-V124 HydrophobicContact CG-CG2 4.33Å; L120-V124 WeakPolarHBondContact O-CG2 3.38Å; L120-V124 PolarHBondContact O-N 3.17Å; L122-V124 PolarHBondContact O-N 3.28Å; V124-N126 VanDerWaalsContact C-N 3.29Å; V124-N126 PolarHBondContact O-N 2.76Å; V124-F127 PolarHBondContact O-N 3.4Å; V124-W128 HydrophobicContact CG1-CE3 4.07Å; V124-W128 HydrophobicContact CG1-CZ3 4.46Å; V124-W128 HydrophobicContact CG2-CZ3 4.41Å; V124-W128 PolarHBondContact O-N 2.95Å; V124-V131 HydrophobicContact CG1-CG1 4.45Å; V124-L133 HydrophobicContact CG1-CB 4.48Å; V124-L133 HydrophobicContact CG2-CD1 4.22Å; V124-L172 HydrophobicContact CG2-CD1 3.53Å; V124-L175 HydrophobicContact CG2-CD1 4.07Å
125	S	95.5	Very high	96.3	Very high	33 Å²	33	48.2 Å²	48.2	23%	0.231	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-35.3	178.6	-63.8	0	0	0	0	112.8	A121 L122 W128	A121-S125 PolarHBondContact O-N 3.46Å; A121-S125 VanDerWaalsContact O-N 3.1Å; A121-S125 PolarHBondContact O-OG 2.87Å; A121-S125 VanDerWaalsContact O-OG 3.11Å; L122-S125 PolarHBondContact O-N 2.86Å; S125-W128 CarbonylContact O-C 3.6Å
126	N	94.9	Very high	96.4	Very high	118 Å²	118	43.4 Å²	43.4	63%	0.631	25%	0.246	S	C	*	.	H	α-helix	trans	-72.5	-38.4	177	-73.8	-9.6	0	0	0	112.3	L122 L123 V124	L122-N126 WeakPolarHBondContact CD2-ND2 3.43Å; L122-N126 WeakPolarHBondContact O-CB 3.4Å; L122-N126 VanDerWaalsContact O-CG 3.29Å; L122-N126 PolarHBondContact O-N 3.44Å; L123-N126 PolarHBondContact O-N 3.46Å; V124-N126 VanDerWaalsContact C-N 3.29Å; V124-N126 PolarHBondContact O-N 2.76Å
127	F	95.7	Very high	96.4	Very high	89 Å²	89	42.5 Å²	42.5	39%	0.39	24%	0.243	S	C	.	.	H	α-helix	trans	-78.9	-35	-177.4	-165.8	-88.3	0	0	0	112.3	L123 V124 R171 L175	L123-F127 VanDerWaalsContact O-CB 3.31Å; L123-F127 WeakPolarHBondContact O-CB 3.23Å; L123-F127 PolarHBondContact O-N 3.33Å; V124-F127 PolarHBondContact O-N 3.4Å; F127-R171 HydrophobicContact CD1-CG 4.13Å; F127-R171 HydrophobicContact CE1-CG 3.61Å; F127-R171 VanDerWaalsContact CE2-CZ 3.49Å; F127-R171 HydrophobicContact CZ-CG 3.94Å; F127-L175 HydrophobicContact CB-CD1 4.1Å; F127-L175 HydrophobicContact CG-CD1 4.35Å
128	W	97	Very high	96.3	Very high	37 Å²	37	42.5 Å²	42.5	14%	0.14	24%	0.243	C	C	.	.	S	Bend	trans	-127.6	91.6	176.4	-62.7	-60.3	0	0	0	110.2	V124 S125 G130 V131 T161 K168 R171 L172 L175	V124-W128 HydrophobicContact CG1-CE3 4.07Å; V124-W128 HydrophobicContact CG1-CZ3 4.46Å; V124-W128 HydrophobicContact CG2-CZ3 4.41Å; V124-W128 PolarHBondContact O-N 2.95Å; S125-W128 CarbonylContact O-C 3.6Å; W128-G130 PolarHBondContact O-N 3.35Å; W128-V131 HydrophobicContact CB-CB 3.69Å; W128-V131 HydrophobicContact CB-CG1 4.46Å; W128-V131 HydrophobicContact CB-CG2 3.79Å; W128-V131 PolarHBondContact O-N 3.43Å; W128-T161 HydrophobicContact CE3-CG2 4.27Å; W128-T161 HydrophobicContact CZ3-CG2 3.98Å; W128-K168 HydrophobicContact CD2-CD 3.91Å; W128-K168 HydrophobicContact CE3-CD 4.42Å; W128-K168 HydrophobicContact CG-CD 4.25Å; W128-K168 HydrophobicContact CH2-CB 3.82Å; W128-K168 HydrophobicContact CH2-CG 4.43Å; W128-K168 WeakPolarHBondContact CH2-O 2.93Å; W128-K168 HydrophobicContact CZ2-CB 3.66Å; W128-K168 HydrophobicContact CZ2-CD 4.08Å; W128-K168 HydrophobicContact CZ2-CG 3.83Å; W128-K168 HydrophobicContact CZ3-CB 4.48Å; W128-R171 HydrophobicContact CH2-CB 3.8Å; W128-R171 HydrophobicContact CH2-CG 3.72Å; W128-R171 HydrophobicContact CZ2-CB 3.7Å; W128-R171 HydrophobicContact CZ2-CG 3.54Å; W128-L172 HydrophobicContact CH2-CB 4.3Å; W128-L172 HydrophobicContact CZ3-CB 4.47Å; W128-L175 HydrophobicContact CE3-CD1 4.4Å; W128-L175 HydrophobicContact CH2-CD1 4.1Å; W128-L175 HydrophobicContact CZ3-CD1 3.73Å
129	P	95.8	Very high	96.3	Very high	117 Å²	117	40.1 Å²	40.1	76%	0.76	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	129.6	176.1	-27	35.4	0	0	0	111.7	V131	P129-V131 VanDerWaalsContact C-N 3.29Å; P129-V131 PolarHBondContact O-N 2.91Å
130	G	95.6	Very high	95.9	Very high	84 Å²	84	38.1 Å²	38.1	87%	0.866	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.9	-10.6	-178.1	0	0	0	0	0	115.4	W128	W128-G130 PolarHBondContact O-N 3.35Å
131	V	97.7	Very high	95.2	Very high	17 Å²	17	41.7 Å²	41.7	10%	0.103	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-95.9	131.2	174.5	-178.7	0	0	0	0	109.6	V124 W128 P129 T161	V124-V131 HydrophobicContact CG1-CG1 4.45Å; W128-V131 HydrophobicContact CB-CB 3.69Å; W128-V131 HydrophobicContact CB-CG1 4.46Å; W128-V131 HydrophobicContact CB-CG2 3.79Å; W128-V131 PolarHBondContact O-N 3.43Å; P129-V131 VanDerWaalsContact C-N 3.29Å; P129-V131 PolarHBondContact O-N 2.91Å; V131-T161 HydrophobicContact CG1-CG2 4.09Å
132	K	98	Very high	94.4	Very high	85 Å²	85	49.2 Å²	49.2	37%	0.37	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-101.2	156.6	175.6	-68.8	-175.6	179.3	-170.8	0	110.9	R93 N94 V96 S162	R93-K132 PolarHBondContact O-NZ 3.01Å; N94-K132 WeakPolarHBondContact O-CB 3.5Å; V96-K132 HydrophobicContact CG2-CB 4.14Å; V96-K132 HydrophobicContact CG2-CD 4.2Å; K132-S162 PolarHBondContact N-OG 2.89Å; K132-S162 WeakPolarHBondContact O-CB 3.02Å; K132-S162 PolarHBondContact O-N 3.27Å; K132-S162 PolarHBondContact O-OG 3.16Å
133	L	98.3	Very high	92.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	139.3	167.5	-179.2	66.9	0	0	0	108.9	N94 I95 V96 L117 L120 A121 V124 I159 L172	N94-L133 PolarHBondContact O-N 2.96Å; I95-L133 CarbonylContact C-O 3.51Å; I95-L133 WeakPolarHBondContact CA-O 3.46Å; I95-L133 HydrophobicContact CD1-CD2 4.38Å; I95-L133 HydrophobicContact CG1-CB 4.49Å; I95-L133 HydrophobicContact CG1-CD2 4.32Å; V96-L133 PolarHBondContact N-O 3.47Å; L117-L133 HydrophobicContact CD1-CD2 3.63Å; L117-L133 HydrophobicContact CG-CD2 3.99Å; L120-L133 HydrophobicContact CB-CD2 4.3Å; L120-L133 HydrophobicContact CD2-CD1 4.1Å; L120-L133 HydrophobicContact CD2-CD2 4.18Å; L120-L133 HydrophobicContact CG-CD1 4.18Å; L120-L133 HydrophobicContact CG-CD2 4.05Å; A121-L133 HydrophobicContact CB-CB 4.11Å; A121-L133 HydrophobicContact CB-CD2 4.07Å; V124-L133 HydrophobicContact CG1-CB 4.48Å; V124-L133 HydrophobicContact CG2-CD1 4.22Å; L133-I159 HydrophobicContact CD1-CB 4.08Å; L133-I159 HydrophobicContact CD1-CD1 4.29Å; L133-I159 HydrophobicContact CD1-CG2 4.38Å; L133-L172 HydrophobicContact CD1-CD1 3.94Å
134	R	98	Very high	91.3	Very high	23 Å²	23	54 Å²	54	9%	0.087	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.5	175.4	177.2	177.7	169.2	-90.3	-5.3	110.5	V96 I159 T160	V96-R134 HydrophobicContact CB-CB 4.39Å; V96-R134 HydrophobicContact CB-CG 4.44Å; V96-R134 CarbonylContact O-C 3.53Å; V96-R134 WeakPolarHBondContact O-CA 3.15Å; R134-I159 CarbonylContact O-C 3.38Å; R134-I159 WeakPolarHBondContact O-CA 3.26Å; R134-T160 WeakPolarHBondContact CB-OG1 3.39Å; R134-T160 WeakPolarHBondContact CG-OG1 3.4Å; R134-T160 PolarHBondContact N-O 3.11Å; R134-T160 PolarHBondContact NH1-OG1 3.13Å; R134-T160 PolarHBondContact O-N 2.93Å; R134-T160 PolarHBondContact O-OG1 2.97Å
135	V	98	Very high	89.4	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.8	173.2	177.5	0	0	0	0	108.2	I95 V96 F97 K98 L117 D137 A138 I159	I95-V135 HydrophobicContact CG2-CB 4.48Å; I95-V135 HydrophobicContact CG2-CG2 3.62Å; V96-V135 PolarHBondContact O-N 2.83Å; F97-V135 HydrophobicContact CD1-CB 3.72Å; F97-V135 HydrophobicContact CD1-CG1 4.02Å; F97-V135 HydrophobicContact CD1-CG2 4.06Å; F97-V135 HydrophobicContact CE1-CB 3.99Å; F97-V135 HydrophobicContact CE1-CG1 4.25Å; F97-V135 HydrophobicContact CE1-CG2 3.81Å; K98-V135 WeakPolarHBondContact CB-O 3.49Å; K98-V135 PolarHBondContact N-O 3.06Å; L117-V135 HydrophobicContact CD1-CG2 4.2Å; L117-V135 HydrophobicContact CD2-CG2 3.85Å; V135-D137 WeakPolarHBondContact CG1-O 3.16Å; V135-A138 HydrophobicContact CG1-CB 4.23Å; V135-I159 HydrophobicContact CG2-CG2 4.3Å
136	I	95.1	Very high	88.2	Confident	40 Å²	40	65.9 Å²	65.9	21%	0.205	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-43	174	-66.6	179.9	0	0	0	110.4	K98 D158 T160 H191	K98-I136 HydrophobicContact CD-CG2 4.16Å; I136-D158 HydrophobicContact CB-CB 4.28Å; I136-D158 PolarHBondContact N-O 3.49Å; I136-T160 HydrophobicContact CD1-CG2 3.45Å; I136-T160 VanDerWaalsContact CD1-CG2 3.45Å; I136-T160 HydrophobicContact CG1-CG2 4.18Å; I136-H191 HydrophobicContact CD1-CB 3.93Å
137	D	94.4	Very high	86.9	Confident	6 Å²	6	66.5 Å²	66.5	3%	0.032	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	144.3	-172.5	-164.2	-10.6	0	0	0	109.4	D106 V135 R144 H151 V157 D158	D106-D137 WeakPolarHBondContact OD1-CA 3.22Å; V135-D137 WeakPolarHBondContact CG1-O 3.16Å; D137-R144 IonicContact OD2-CZ 3.99Å; D137-R144 IonicContact OD2-NH1 3.3Å; D137-R144 PolarHBondContact OD2-NH1 3.38Å; D137-R144 IonicContact OD2-NH2 2.82Å; D137-R144 PolarHBondContact OD2-NH2 3.05Å; D137-H151 IonicContact OD1-ND1 3.49Å; D137-V157 CarbonylContact O-C 3.59Å; D137-V157 WeakPolarHBondContact O-CA 3.47Å; D137-D158 HydrophobicContact CB-CB 4.09Å; D137-D158 PolarHBondContact O-N 2.82Å
138	A	95.3	Very high	85.7	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.345	C	S	.	.	S	Bend	trans	-140.7	-99.6	174.4	0	0	0	0	0	111.1	D106 M109 V135 E140 H151 V157	D106-A138 WeakPolarHBondContact O-CB 3.46Å; M109-A138 HydrophobicContact CE-CB 4.42Å; V135-A138 HydrophobicContact CG1-CB 4.23Å; A138-E140 PolarHBondContact O-N 3.39Å; A138-H151 WeakPolarHBondContact O-CA 3.25Å; A138-H151 VanDerWaalsContact O-CB 3.31Å; A138-H151 WeakPolarHBondContact O-CB 3.42Å; A138-H151 PolarHBondContact O-ND1 3.21Å; A138-V157 HydrophobicContact CB-CG1 3.91Å
139	W	94.7	Very high	85.2	Confident	2 Å²	2	63 Å²	63	1%	0.008	35%	0.345	C	S	.	.	S	Bend	trans	-81	119.9	176.2	173.8	69.2	0	0	0	110.7	I77 R79 F84 L87 A105 I108 E141 H151 Y152	I77-W139 WeakPolarHBondContact O-CZ2 3.32Å; I77-W139 PolarHBondContact O-NE1 2.87Å; I77-W139 VanDerWaalsContact O-NE1 3.15Å; R79-W139 HydrophobicContact CG-CH2 3.57Å; R79-W139 HydrophobicContact CG-CZ2 4.45Å; R79-W139 HydrophobicContact CG-CZ3 4.32Å; F84-W139 HydrophobicContact CD2-CH2 4.12Å; F84-W139 AromaticContact CD2-CZ2 3.83Å; F84-W139 HydrophobicContact CD2-CZ2 3.83Å; F84-W139 HydrophobicContact CE2-CD2 4.09Å; F84-W139 AromaticContact CE2-CE2 3.87Å; F84-W139 AromaticContact CE2-CE3 3.94Å; F84-W139 HydrophobicContact CE2-CE3 3.94Å; F84-W139 AromaticContact CE2-CH2 3.43Å; F84-W139 HydrophobicContact CE2-CH2 3.43Å; F84-W139 VanDerWaalsContact CE2-CH2 3.43Å; F84-W139 AromaticContact CE2-CZ2 3.55Å; F84-W139 HydrophobicContact CE2-CZ2 3.55Å; F84-W139 AromaticContact CE2-CZ3 3.62Å; F84-W139 HydrophobicContact CE2-CZ3 3.62Å; F84-W139 HydrophobicContact CZ-CH2 4.19Å; F84-W139 HydrophobicContact CZ-CZ3 4.15Å; L87-W139 HydrophobicContact CD1-CG 4.36Å; A105-W139 HydrophobicContact CB-CE3 3.87Å; A105-W139 HydrophobicContact CB-CZ3 4.12Å; A105-W139 WeakPolarHBondContact CB-O 3.43Å; I108-W139 HydrophobicContact CB-CB 4.03Å; I108-W139 HydrophobicContact CB-CD2 4.35Å; I108-W139 HydrophobicContact CB-CE3 3.98Å; I108-W139 HydrophobicContact CB-CG 4.41Å; I108-W139 HydrophobicContact CG1-CE3 4.24Å; I108-W139 HydrophobicContact CG2-CB 4.22Å; I108-W139 HydrophobicContact CG2-CD2 4.17Å; I108-W139 HydrophobicContact CG2-CE3 4.13Å; I108-W139 HydrophobicContact CG2-CG 4.21Å; I108-W139 WeakPolarHBondContact O-CB 3.47Å; I108-W139 PolarHBondContact O-N 2.97Å; W139-E141 HydrophobicContact CH2-CB 3.86Å; W139-E141 HydrophobicContact CH2-CG 3.98Å; W139-E141 HydrophobicContact CZ2-CB 4.45Å; W139-E141 HydrophobicContact CZ3-CB 3.99Å; W139-E141 HydrophobicContact CZ3-CG 4.45Å; W139-H151 WeakPolarHBondContact CA-O 3.31Å; W139-Y152 PolarHBondContact NE1-O 3.12Å
140	E	88.4	Confident	85	Confident	11 Å²	11	57.4 Å²	57.4	5%	0.051	31%	0.308	C	S	.	.			trans	-95.9	116.1	-175.6	177.8	59.7	-87.3	0	0	111.2	A138 R142 R144 H151 Y152	A138-E140 PolarHBondContact O-N 3.39Å; E140-R142 WeakPolarHBondContact CG-O 3.35Å; E140-R142 WeakPolarHBondContact OE1-CA 3.3Å; E140-R142 WeakPolarHBondContact OE1-CB 3.41Å; E140-R142 PolarHBondContact OE1-N 2.68Å; E140-R144 HydrophobicContact CG-CG 4.28Å; E140-R144 WeakPolarHBondContact OE2-CD 3.46Å; E140-R144 IonicContact OE2-CZ 2.84Å; E140-R144 IonicContact OE2-NE 3.76Å; E140-R144 PolarHBondContact OE2-NE 3.46Å; E140-R144 IonicContact OE2-NH2 3.51Å; E140-R144 PolarHBondContact OE2-NH2 2.83Å; E140-H151 HydrophobicContact CB-CB 3.98Å; E140-H151 PolarHBondContact N-O 3.26Å; E140-Y152 HydrophobicContact CB-CD1 4.17Å; E140-Y152 HydrophobicContact CB-CE1 4.13Å; E140-Y152 HydrophobicContact CG-CD1 4.37Å; E140-Y152 HydrophobicContact CG-CE1 3.88Å
141	E	82.3	Confident	84.9	Confident	75 Å²	75	53.9 Å²	53.9	35%	0.35	27%	0.269	S	S	.	.			trans	-84	-33.7	177.9	-176	162.1	-159.7	0	0	111.8	R76 R79 W139	R76-E141 PolarHBondContact NH2-O 3.17Å; R79-E141 WeakPolarHBondContact CD-OE1 3.15Å; R79-E141 WeakPolarHBondContact CG-OE1 3.42Å; R79-E141 IonicContact CZ-OE1 3.82Å; R79-E141 IonicContact CZ-OE2 3.84Å; R79-E141 VanDerWaalsContact CZ-OE2 3.3Å; R79-E141 IonicContact NE-OE1 3.85Å; R79-E141 PolarHBondContact NE-OE1 2.99Å; R79-E141 IonicContact NE-OE2 3.47Å; R79-E141 PolarHBondContact NE-OE2 3.26Å; R79-E141 IonicContact NH2-OE2 3.93Å; R79-E141 PolarHBondContact NH2-OE2 3.11Å; W139-E141 HydrophobicContact CH2-CB 3.86Å; W139-E141 HydrophobicContact CH2-CG 3.98Å; W139-E141 HydrophobicContact CZ2-CB 4.45Å; W139-E141 HydrophobicContact CZ3-CB 3.99Å; W139-E141 HydrophobicContact CZ3-CG 4.45Å
142	R	79.2	Confident	84.6	Confident	158 Å²	158	54.1 Å²	54.1	60%	0.596	27%	0.268	S	S	*	.	S	Bend	trans	-81.3	152.6	-175.4	-62.5	-179.8	173.6	174	0.1	111.9	R76 E140 R144	R76-R142 PolarHBondContact NH2-O 3.09Å; E140-R142 WeakPolarHBondContact CG-O 3.35Å; E140-R142 WeakPolarHBondContact OE1-CA 3.3Å; E140-R142 WeakPolarHBondContact OE1-CB 3.41Å; E140-R142 PolarHBondContact OE1-N 2.68Å; R142-R144 VanDerWaalsContact C-N 3.28Å; R142-R144 PolarHBondContact O-N 2.74Å
143	N	63.5	Low	84.2	Confident	124 Å²	124	50.4 Å²	50.4	66%	0.663	25%	0.252	S	S	*	.			trans	-74.6	78.7	175.6	-84.3	-13.2	0	0	0	110.4	R76	R76-N143 PolarHBondContact NH1-OD1 3.49Å; R76-N143 PolarHBondContact NH2-OD1 3.45Å
144	R	62.3	Low	84	Confident	114 Å²	114	50.4 Å²	50.4	43%	0.43	25%	0.252	S	S	.	.			trans	-62.2	143.9	152.4	-65.4	-170.5	-169.8	169.9	14	108	D137 E140 R142 V146 Y152	D137-R144 IonicContact OD2-CZ 3.99Å; D137-R144 IonicContact OD2-NH1 3.3Å; D137-R144 PolarHBondContact OD2-NH1 3.38Å; D137-R144 IonicContact OD2-NH2 2.82Å; D137-R144 PolarHBondContact OD2-NH2 3.05Å; E140-R144 HydrophobicContact CG-CG 4.28Å; E140-R144 WeakPolarHBondContact OE2-CD 3.46Å; E140-R144 IonicContact OE2-CZ 2.84Å; E140-R144 IonicContact OE2-NE 3.76Å; E140-R144 PolarHBondContact OE2-NE 3.46Å; E140-R144 IonicContact OE2-NH2 3.51Å; E140-R144 PolarHBondContact OE2-NH2 2.83Å; R142-R144 VanDerWaalsContact C-N 3.28Å; R142-R144 PolarHBondContact O-N 2.74Å; R144-V146 HydrophobicContact CB-CG2 4.5Å; R144-V146 PolarHBondContact O-N 2.8Å; R144-Y152 WeakPolarHBondContact CB-OH 3.08Å; R144-Y152 PolarHBondContact O-OH 2.97Å
145	Q	58.3	Low	83.8	Confident	197 Å²	197	49.5 Å²	49.5	92%	0.921	25%	0.249	S	C	*	.	S	Bend	trans	-87.5	35.6	-179.5	-69.6	-179.4	-20.2	0	0	112
146	V	70.2	Confident	83.7	Confident	86 Å²	86	49.5 Å²	49.5	52%	0.521	25%	0.249	S	C	.	.			trans	-101.6	97.6	-177.7	-173.8	0	0	0	0	109.3	R144 G148 S149 Y152	R144-V146 HydrophobicContact CB-CG2 4.5Å; R144-V146 PolarHBondContact O-N 2.8Å; V146-G148 PolarHBondContact O-N 3.01Å; V146-S149 PolarHBondContact O-N 2.93Å; V146-Y152 WeakPolarHBondContact O-CE2 3.43Å
147	V	67.2	Low	83.9	Confident	132 Å²	132	47.6 Å²	47.6	80%	0.8	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	130.9	177.5	-178.1	0	0	0	0	109.8
148	G	71.4	Confident	84	Confident	33 Å²	33	47.9 Å²	47.9	34%	0.34	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	9.7	176.3	0	0	0	0	0	115.9	V146 L150	V146-G148 PolarHBondContact O-N 3.01Å; G148-L150 PolarHBondContact O-N 3.01Å
149	S	86	Confident	84.1	Confident	19 Å²	19	47.9 Å²	47.9	13%	0.133	24%	0.241	C	C	.	.			trans	-65.7	128.1	176.3	178.4	0	0	0	0	112.5	V146 H151 Y152	V146-S149 PolarHBondContact O-N 2.93Å; S149-H151 PolarHBondContact O-N 3.49Å; S149-H151 WeakPolarHBondContact OG-CB 3.44Å; S149-H151 PolarHBondContact OG-CD2 2.91Å; S149-H151 PolarHBondContact OG-N 3.38Å; S149-Y152 WeakPolarHBondContact O-CD2 3.47Å; S149-Y152 PolarHBondContact O-N 3.18Å
150	L	91.6	Very high	84.3	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-73.3	-8	176	-64.5	-163.4	0	0	0	113.6	E64 S70 A73 G148 Y152 E153 G154 R155 A156	E64-L150 HydrophobicContact CG-CD1 3.81Å; E64-L150 HydrophobicContact CG-CG 4.29Å; E64-L150 WeakPolarHBondContact OE1-CD1 3.38Å; S70-L150 VanDerWaalsContact CB-CD1 3.41Å; A73-L150 HydrophobicContact CB-CD2 3.9Å; G148-L150 PolarHBondContact O-N 3.01Å; L150-Y152 VanDerWaalsContact C-N 3.27Å; L150-Y152 PolarHBondContact O-N 3.36Å; L150-E153 PolarHBondContact O-N 3.02Å; L150-G154 PolarHBondContact O-N 3.36Å; L150-R155 HydrophobicContact CB-CB 4.22Å; L150-R155 VanDerWaalsContact CD2-NH2 3.29Å; L150-R155 PolarHBondContact O-N 2.8Å; L150-A156 HydrophobicContact CB-CB 3.82Å; L150-A156 PolarHBondContact O-N 3.33Å
151	H	93.8	Very high	84.7	Confident	10 Å²	10	47.6 Å²	47.6	5%	0.046	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-62.2	-35	171.2	-73.8	-94.8	0	0	0	111.6	D137 A138 W139 E140 S149 E153 G154 D158 H193	D137-H151 IonicContact OD1-ND1 3.49Å; A138-H151 WeakPolarHBondContact O-CA 3.25Å; A138-H151 VanDerWaalsContact O-CB 3.31Å; A138-H151 WeakPolarHBondContact O-CB 3.42Å; A138-H151 PolarHBondContact O-ND1 3.21Å; W139-H151 WeakPolarHBondContact CA-O 3.31Å; E140-H151 HydrophobicContact CB-CB 3.98Å; E140-H151 PolarHBondContact N-O 3.26Å; S149-H151 PolarHBondContact O-N 3.49Å; S149-H151 WeakPolarHBondContact OG-CB 3.44Å; S149-H151 PolarHBondContact OG-CD2 2.91Å; S149-H151 PolarHBondContact OG-N 3.38Å; H151-E153 PolarHBondContact O-N 3.37Å; H151-G154 PolarHBondContact O-N 3.37Å; H151-D158 IonicContact CE1-OD2 3.59Å; H151-D158 IonicContact NE2-OD1 3.46Å; H151-D158 IonicContact NE2-OD2 3.84Å; H151-H193 AromaticContact CD2-CE1 3.79Å; H151-H193 AromaticContact NE2-CE1 3.24Å; H151-H193 PolarHBondContact NE2-CE1 2.82Å; H151-H193 AromaticContact NE2-ND1 3.54Å
152	Y	91.1	Very high	85.4	Confident	21 Å²	21	45.9 Å²	45.9	8%	0.082	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-65	-13.9	-180	-61	-43.8	0	0	0	114.6	R76 I77 W139 E140 R144 V146 S149 L150	R76-Y152 HydrophobicContact CB-CG 4.41Å; R76-Y152 HydrophobicContact CG-CD1 4.41Å; R76-Y152 HydrophobicContact CG-CG 4.19Å; I77-Y152 PolarHBondContact N-O 2.83Å; W139-Y152 PolarHBondContact NE1-O 3.12Å; E140-Y152 HydrophobicContact CB-CD1 4.17Å; E140-Y152 HydrophobicContact CB-CE1 4.13Å; E140-Y152 HydrophobicContact CG-CD1 4.37Å; E140-Y152 HydrophobicContact CG-CE1 3.88Å; R144-Y152 WeakPolarHBondContact CB-OH 3.08Å; R144-Y152 PolarHBondContact O-OH 2.97Å; V146-Y152 WeakPolarHBondContact O-CE2 3.43Å; S149-Y152 WeakPolarHBondContact O-CD2 3.47Å; S149-Y152 PolarHBondContact O-N 3.18Å; L150-Y152 VanDerWaalsContact C-N 3.27Å; L150-Y152 PolarHBondContact O-N 3.36Å
153	E	89.6	Confident	86.2	Confident	7 Å²	7	41.8 Å²	41.8	3%	0.033	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-108.4	-1.6	177.8	-72.4	165.7	-143.9	0	0	112.7	A73 E74 L75 I77 L87 L150 H151 R155	A73-E153 VanDerWaalsContact C-OE1 3.26Å; A73-E153 VanDerWaalsContact CA-OE1 3.25Å; A73-E153 WeakPolarHBondContact CA-OE1 3.37Å; E74-E153 WeakPolarHBondContact CA-OE1 3.35Å; E74-E153 PolarHBondContact N-OE1 3.28Å; E74-E153 PolarHBondContact N-OE2 3.21Å; L75-E153 PolarHBondContact N-OE1 2.99Å; L75-E153 WeakPolarHBondContact O-CG 3.28Å; I77-E153 HydrophobicContact CD1-CB 4.48Å; L87-E153 WeakPolarHBondContact CD2-O 3.32Å; L150-E153 PolarHBondContact O-N 3.02Å; H151-E153 PolarHBondContact O-N 3.37Å; E153-R155 VanDerWaalsContact C-N 3.29Å; E153-R155 HydrophobicContact CB-CB 4.48Å; E153-R155 HydrophobicContact CB-CG 3.98Å; E153-R155 PolarHBondContact O-N 3.02Å; E153-R155 IonicContact OE2-CZ 3.93Å; E153-R155 IonicContact OE2-NE 2.89Å; E153-R155 PolarHBondContact OE2-NE 2.82Å; E153-R155 IonicContact OE2-NH2 2.85Å; E153-R155 PolarHBondContact OE2-NH2 2.92Å
154	G	94.1	Very high	87.7	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	32.7	-172.3	0	0	0	0	0	112.5	M109 T110 L150 H151	M109-G154 CarbonylContact C-O 3.45Å; M109-G154 WeakPolarHBondContact CA-O 3.35Å; T110-G154 PolarHBondContact N-O 3.36Å; T110-G154 PolarHBondContact OG1-O 2.86Å; T110-G154 VanDerWaalsContact OG1-O 3.05Å; L150-G154 PolarHBondContact O-N 3.36Å; H151-G154 PolarHBondContact O-N 3.37Å
155	R	93.8	Very high	89.3	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.015	21%	0.213	C	C	.	.			trans	-109.2	-8	179.6	-66.4	-162.4	-60	133.3	-16.7	114.3	S70 P72 T110 L150 E153 S195 V196 S198	S70-R155 PolarHBondContact O-NH1 3.18Å; P72-R155 PolarHBondContact O-NH2 2.79Å; T110-R155 HydrophobicContact CG2-CG 3.61Å; L150-R155 HydrophobicContact CB-CB 4.22Å; L150-R155 VanDerWaalsContact CD2-NH2 3.29Å; L150-R155 PolarHBondContact O-N 2.8Å; E153-R155 VanDerWaalsContact C-N 3.29Å; E153-R155 HydrophobicContact CB-CB 4.48Å; E153-R155 HydrophobicContact CB-CG 3.98Å; E153-R155 PolarHBondContact O-N 3.02Å; E153-R155 IonicContact OE2-CZ 3.93Å; E153-R155 IonicContact OE2-NE 2.89Å; E153-R155 PolarHBondContact OE2-NE 2.82Å; E153-R155 IonicContact OE2-NH2 2.85Å; E153-R155 PolarHBondContact OE2-NH2 2.92Å; R155-S195 CarbonylContact O-C 3.55Å; R155-S195 WeakPolarHBondContact O-CA 3.12Å; R155-S195 VanDerWaalsContact O-CB 3.29Å; R155-S195 WeakPolarHBondContact O-CB 3.49Å; R155-V196 HydrophobicContact CB-CG2 4.37Å; R155-V196 PolarHBondContact NH1-O 3.26Å; R155-V196 VanDerWaalsContact NH1-O 3.07Å; R155-V196 PolarHBondContact O-N 3.21Å; R155-S198 VanDerWaalsContact CD-CA 3.41Å
156	A	96.5	Very high	91.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	156.8	173.8	0	0	0	0	0	111	L150 A194	L150-A156 HydrophobicContact CB-CB 3.82Å; L150-A156 PolarHBondContact O-N 3.33Å; A156-A194 CarbonylContact C-O 3.49Å; A156-A194 WeakPolarHBondContact CA-O 3.44Å
157	V	97.4	Very high	92.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	139	176.6	-70.9	0	0	0	0	109.8	L117 D137 A138 I159 F181 A194	L117-V157 HydrophobicContact CD1-CG1 4.49Å; L117-V157 HydrophobicContact CD1-CG2 4.11Å; D137-V157 CarbonylContact O-C 3.59Å; D137-V157 WeakPolarHBondContact O-CA 3.47Å; A138-V157 HydrophobicContact CB-CG1 3.91Å; V157-I159 HydrophobicContact CB-CG2 4.08Å; V157-I159 HydrophobicContact CG2-CG2 3.95Å; V157-F181 HydrophobicContact CG2-CE1 3.71Å; V157-F181 HydrophobicContact CG2-CZ 4.07Å; V157-A194 HydrophobicContact CG2-CB 4.23Å; V157-A194 WeakPolarHBondContact CG2-O 3.03Å; V157-A194 PolarHBondContact N-O 2.76Å; V157-A194 PolarHBondContact O-N 3.45Å
158	D	97.2	Very high	93.7	Very high	13 Å²	13	36.4 Å²	36.4	7%	0.07	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.4	167.3	-70.9	-25.4	0	0	0	109	I136 D137 H151 H191 V192 H193	I136-D158 HydrophobicContact CB-CB 4.28Å; I136-D158 PolarHBondContact N-O 3.49Å; D137-D158 HydrophobicContact CB-CB 4.09Å; D137-D158 PolarHBondContact O-N 2.82Å; H151-D158 IonicContact CE1-OD2 3.59Å; H151-D158 IonicContact NE2-OD1 3.46Å; H151-D158 IonicContact NE2-OD2 3.84Å; D158-H191 VanDerWaalsContact CG-CD2 3.5Å; D158-H191 IonicContact OD1-CD2 3.3Å; D158-H191 PolarHBondContact OD1-CD2 2.97Å; D158-H191 IonicContact OD1-NE2 2.66Å; D158-H191 IonicContact OD2-CD2 2.95Å; D158-H191 IonicContact OD2-NE2 3.98Å; D158-V192 WeakPolarHBondContact CA-O 3.46Å; D158-H193 WeakPolarHBondContact OD1-CB 3.12Å; D158-H193 IonicContact OD1-CE1 3.22Å; D158-H193 IonicContact OD1-CG 2.91Å; D158-H193 IonicContact OD1-ND1 2.97Å; D158-H193 PolarHBondContact OD1-ND1 3.05Å
159	I	98	Very high	94.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.2	-167.8	60	168.6	0	0	0	113.1	L117 L120 L133 R134 V135 V157 L172 A176 H191 V192	L117-I159 HydrophobicContact CD1-CG2 4.03Å; L120-I159 HydrophobicContact CD2-CD1 3.29Å; L133-I159 HydrophobicContact CD1-CB 4.08Å; L133-I159 HydrophobicContact CD1-CD1 4.29Å; L133-I159 HydrophobicContact CD1-CG2 4.38Å; R134-I159 CarbonylContact O-C 3.38Å; R134-I159 WeakPolarHBondContact O-CA 3.26Å; V135-I159 HydrophobicContact CG2-CG2 4.3Å; V157-I159 HydrophobicContact CB-CG2 4.08Å; V157-I159 HydrophobicContact CG2-CG2 3.95Å; I159-L172 HydrophobicContact CD1-CD1 4.29Å; I159-L172 HydrophobicContact CD1-CD2 4.3Å; I159-L172 HydrophobicContact CD1-CG 4.15Å; I159-L172 HydrophobicContact CG1-CD2 4.21Å; I159-A176 HydrophobicContact CD1-CB 4.25Å; I159-H191 WeakPolarHBondContact O-CA 3.49Å; I159-V192 HydrophobicContact CD1-CB 4.32Å; I159-V192 HydrophobicContact CG1-CB 3.83Å; I159-V192 WeakPolarHBondContact CG1-O 3.13Å; I159-V192 PolarHBondContact N-O 3.34Å; I159-V192 PolarHBondContact O-N 2.9Å
160	T	97.8	Very high	95.5	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	-177.9	178.3	51.2	0	0	0	0	110.4	R134 I136 I169 Q190 H191	R134-T160 WeakPolarHBondContact CB-OG1 3.39Å; R134-T160 WeakPolarHBondContact CG-OG1 3.4Å; R134-T160 PolarHBondContact N-O 3.11Å; R134-T160 PolarHBondContact NH1-OG1 3.13Å; R134-T160 PolarHBondContact O-N 2.93Å; R134-T160 PolarHBondContact O-OG1 2.97Å; I136-T160 HydrophobicContact CD1-CG2 3.45Å; I136-T160 VanDerWaalsContact CD1-CG2 3.45Å; I136-T160 HydrophobicContact CG1-CG2 4.18Å; T160-I169 HydrophobicContact CG2-CD1 3.96Å; T160-Q190 WeakPolarHBondContact CG2-O 3.49Å; T160-H191 HydrophobicContact CG2-CB 3.93Å
161	T	97.7	Very high	95.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	151.9	169.6	56.1	0	0	0	0	111.1	W128 V131 D163 R164 K168 L172	W128-T161 HydrophobicContact CE3-CG2 4.27Å; W128-T161 HydrophobicContact CZ3-CG2 3.98Å; V131-T161 HydrophobicContact CG1-CG2 4.09Å; T161-D163 WeakPolarHBondContact CB-OD1 3.35Å; T161-D163 PolarHBondContact O-N 3.3Å; T161-D163 PolarHBondContact OG1-OD1 2.87Å; T161-R164 PolarHBondContact O-N 2.79Å; T161-K168 HydrophobicContact CG2-CB 3.94Å; T161-K168 HydrophobicContact CG2-CD 4.12Å; T161-L172 HydrophobicContact CG2-CD2 4.38Å
162	S	96.8	Very high	95.9	Very high	40 Å²	40	36.7 Å²	36.7	28%	0.28	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.9	-177.2	62	0	0	0	0	113.9	K132 R164	K132-S162 PolarHBondContact N-OG 2.89Å; K132-S162 WeakPolarHBondContact O-CB 3.02Å; K132-S162 PolarHBondContact O-N 3.27Å; K132-S162 PolarHBondContact O-OG 3.16Å; S162-R164 PolarHBondContact O-N 2.92Å
163	D	96.5	Very high	96.2	Very high	71 Å²	71	35.7 Å²	35.7	38%	0.38	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-3.7	175.1	66.2	-14.7	0	0	0	113.3	T161 D165 K168	T161-D163 WeakPolarHBondContact CB-OD1 3.35Å; T161-D163 PolarHBondContact O-N 3.3Å; T161-D163 PolarHBondContact OG1-OD1 2.87Å; D163-D165 PolarHBondContact O-N 2.8Å; D163-D165 PolarHBondContact OD1-N 2.86Å; D163-K168 VanDerWaalsContact OD2-CE 3.32Å; D163-K168 WeakPolarHBondContact OD2-CE 3.39Å; D163-K168 IonicContact OD2-NZ 2.66Å; D163-K168 PolarHBondContact OD2-NZ 2.89Å
164	R	94.9	Very high	96.5	Very high	179 Å²	179	35.7 Å²	35.7	68%	0.675	16%	0.162	S	C	*	.			trans	56.8	30.4	178.4	-52.3	179.2	-177.7	-174.9	-0.5	113.4	T161 S162 N166	T161-R164 PolarHBondContact O-N 2.79Å; S162-R164 PolarHBondContact O-N 2.92Å; R164-N166 PolarHBondContact O-N 2.95Å
165	D	96.1	Very high	96.6	Very high	28 Å²	28	35.9 Å²	35.9	15%	0.15	16%	0.163	C	C	.	.			trans	-83.9	103.3	176.9	-174.5	-3.7	0	0	0	111.4	D163 R167 K168	D163-D165 PolarHBondContact O-N 2.8Å; D163-D165 PolarHBondContact OD1-N 2.86Å; D165-R167 PolarHBondContact O-N 2.9Å; D165-R167 VanDerWaalsContact O-N 3.07Å; D165-R167 VanDerWaalsContact OD1-CB 3.28Å; D165-R167 WeakPolarHBondContact OD1-CB 3.39Å; D165-R167 WeakPolarHBondContact OD1-CG 3.31Å; D165-R167 IonicContact OD1-CZ 3.83Å; D165-R167 PolarHBondContact OD1-N 3.47Å; D165-R167 IonicContact OD1-NE 2.99Å; D165-R167 PolarHBondContact OD1-NE 2.7Å; D165-R167 IonicContact OD1-NH2 3.75Å; D165-R167 IonicContact OD2-CZ 3.59Å; D165-R167 IonicContact OD2-NE 3.41Å; D165-R167 PolarHBondContact OD2-NE 2.63Å; D165-R167 IonicContact OD2-NH2 2.89Å; D165-R167 PolarHBondContact OD2-NH2 3.29Å; D165-K168 HydrophobicContact CB-CD 4.16Å; D165-K168 HydrophobicContact CB-CG 4.13Å; D165-K168 WeakPolarHBondContact O-CB 3.4Å; D165-K168 PolarHBondContact O-N 2.84Å; D165-K168 IonicContact OD2-NZ 2.76Å; D165-K168 PolarHBondContact OD2-NZ 3.19Å
166	N	95	Very high	96.7	Very high	89 Å²	89	35.7 Å²	35.7	48%	0.476	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-60.5	-21	-179.2	-67.4	-19.2	0	0	0	113.7	R164 K168 I169	R164-N166 PolarHBondContact O-N 2.95Å; N166-K168 PolarHBondContact O-N 2.91Å; N166-I169 WeakPolarHBondContact O-CB 3.49Å; N166-I169 WeakPolarHBondContact O-CG1 3.44Å; N166-I169 PolarHBondContact O-N 3.42Å
167	R	95.7	Very high	96.6	Very high	210 Å²	210	35.8 Å²	35.8	79%	0.792	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-68.4	-19.4	176.2	-58	173.4	-62	174.8	6.2	112.3	D165	D165-R167 PolarHBondContact O-N 2.9Å; D165-R167 VanDerWaalsContact O-N 3.07Å; D165-R167 VanDerWaalsContact OD1-CB 3.28Å; D165-R167 WeakPolarHBondContact OD1-CB 3.39Å; D165-R167 WeakPolarHBondContact OD1-CG 3.31Å; D165-R167 IonicContact OD1-CZ 3.83Å; D165-R167 PolarHBondContact OD1-N 3.47Å; D165-R167 IonicContact OD1-NE 2.99Å; D165-R167 PolarHBondContact OD1-NE 2.7Å; D165-R167 IonicContact OD1-NH2 3.75Å; D165-R167 IonicContact OD2-CZ 3.59Å; D165-R167 IonicContact OD2-NE 3.41Å; D165-R167 PolarHBondContact OD2-NE 2.63Å; D165-R167 IonicContact OD2-NH2 2.89Å; D165-R167 PolarHBondContact OD2-NH2 3.29Å
168	K	96.9	Very high	96.3	Very high	34 Å²	34	37.8 Å²	37.8	15%	0.148	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-84	-17.4	178.3	-63.9	-174	175.9	79.9	0	113.3	W128 T161 D163 D165 N166 R171 L172	W128-K168 HydrophobicContact CD2-CD 3.91Å; W128-K168 HydrophobicContact CE3-CD 4.42Å; W128-K168 HydrophobicContact CG-CD 4.25Å; W128-K168 HydrophobicContact CH2-CB 3.82Å; W128-K168 HydrophobicContact CH2-CG 4.43Å; W128-K168 WeakPolarHBondContact CH2-O 2.93Å; W128-K168 HydrophobicContact CZ2-CB 3.66Å; W128-K168 HydrophobicContact CZ2-CD 4.08Å; W128-K168 HydrophobicContact CZ2-CG 3.83Å; W128-K168 HydrophobicContact CZ3-CB 4.48Å; T161-K168 HydrophobicContact CG2-CB 3.94Å; T161-K168 HydrophobicContact CG2-CD 4.12Å; D163-K168 VanDerWaalsContact OD2-CE 3.32Å; D163-K168 WeakPolarHBondContact OD2-CE 3.39Å; D163-K168 IonicContact OD2-NZ 2.66Å; D163-K168 PolarHBondContact OD2-NZ 2.89Å; D165-K168 HydrophobicContact CB-CD 4.16Å; D165-K168 HydrophobicContact CB-CG 4.13Å; D165-K168 WeakPolarHBondContact O-CB 3.4Å; D165-K168 PolarHBondContact O-N 2.84Å; D165-K168 IonicContact OD2-NZ 2.76Å; D165-K168 PolarHBondContact OD2-NZ 3.19Å; N166-K168 PolarHBondContact O-N 2.91Å; K168-R171 PolarHBondContact O-N 2.97Å; K168-R171 VanDerWaalsContact O-N 3.12Å; K168-L172 PolarHBondContact O-N 3.32Å
169	I	97.3	Very high	96.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-56.6	-46.5	-175.7	-59.1	-66.1	0	0	0	113.7	T160 N166 R171 L172 A173 F186 V192	T160-I169 HydrophobicContact CG2-CD1 3.96Å; N166-I169 WeakPolarHBondContact O-CB 3.49Å; N166-I169 WeakPolarHBondContact O-CG1 3.44Å; N166-I169 PolarHBondContact O-N 3.42Å; I169-R171 PolarHBondContact O-N 3.43Å; I169-L172 HydrophobicContact CD1-CD2 4.27Å; I169-L172 WeakPolarHBondContact O-CB 3.39Å; I169-L172 PolarHBondContact O-N 3.37Å; I169-L172 VanDerWaalsContact O-N 3.16Å; I169-A173 PolarHBondContact O-N 3.43Å; I169-F186 HydrophobicContact CB-CE2 4.17Å; I169-F186 HydrophobicContact CB-CZ 4.37Å; I169-F186 HydrophobicContact CG2-CD2 3.7Å; I169-F186 HydrophobicContact CG2-CE2 3.26Å; I169-F186 HydrophobicContact CG2-CZ 3.88Å; I169-V192 HydrophobicContact CG2-CG2 3.6Å
170	P	96.8	Very high	95.7	Very high	32 Å²	32	38.3 Å²	38.3	21%	0.208	18%	0.18	C	C	.	.	H	α-helix	trans	-55.9	-39.9	176.7	-25.3	34.3	0	0	0	112.9	P52 M53 R174 F186	P52-P170 HydrophobicContact CB-CB 3.74Å; M53-P170 PolarHBondContact N-O 2.66Å; M53-P170 WeakPolarHBondContact O-CB 3.47Å; P170-R174 PolarHBondContact O-N 2.74Å; P170-F186 HydrophobicContact CB-CE1 4.08Å; P170-F186 HydrophobicContact CG-CE1 3.71Å; P170-F186 HydrophobicContact CG-CZ 3.97Å
171	R	96.6	Very high	95.6	Very high	36 Å²	36	38.5 Å²	38.5	14%	0.136	18%	0.18	C	C	.	.	H	α-helix	trans	-75.1	-40.2	179.1	-177.4	64.4	-179.2	170.2	8.6	111.2	N50 F127 W128 K168 I169 A173 R174 L175	N50-R171 PolarHBondContact O-NH1 2.97Å; N50-R171 PolarHBondContact OD1-NH1 3.42Å; N50-R171 PolarHBondContact OD1-NH2 3.16Å; F127-R171 HydrophobicContact CD1-CG 4.13Å; F127-R171 HydrophobicContact CE1-CG 3.61Å; F127-R171 VanDerWaalsContact CE2-CZ 3.49Å; F127-R171 HydrophobicContact CZ-CG 3.94Å; W128-R171 HydrophobicContact CH2-CB 3.8Å; W128-R171 HydrophobicContact CH2-CG 3.72Å; W128-R171 HydrophobicContact CZ2-CB 3.7Å; W128-R171 HydrophobicContact CZ2-CG 3.54Å; K168-R171 PolarHBondContact O-N 2.97Å; K168-R171 VanDerWaalsContact O-N 3.12Å; I169-R171 PolarHBondContact O-N 3.43Å; R171-A173 VanDerWaalsContact C-N 3.28Å; R171-A173 PolarHBondContact O-N 2.91Å; R171-R174 PolarHBondContact O-N 3.2Å; R171-R174 VanDerWaalsContact O-N 3.13Å; R171-L175 WeakPolarHBondContact O-CG 3.37Å; R171-L175 PolarHBondContact O-N 3.35Å
172	L	97.8	Very high	95.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.9	-42.2	175.3	177.5	63.3	0	0	0	111.3	L120 V124 W128 L133 I159 T161 K168 I169 R174 L175 A176 V192	L120-L172 HydrophobicContact CD1-CD1 4.36Å; V124-L172 HydrophobicContact CG2-CD1 3.53Å; W128-L172 HydrophobicContact CH2-CB 4.3Å; W128-L172 HydrophobicContact CZ3-CB 4.47Å; L133-L172 HydrophobicContact CD1-CD1 3.94Å; I159-L172 HydrophobicContact CD1-CD1 4.29Å; I159-L172 HydrophobicContact CD1-CD2 4.3Å; I159-L172 HydrophobicContact CD1-CG 4.15Å; I159-L172 HydrophobicContact CG1-CD2 4.21Å; T161-L172 HydrophobicContact CG2-CD2 4.38Å; K168-L172 PolarHBondContact O-N 3.32Å; I169-L172 HydrophobicContact CD1-CD2 4.27Å; I169-L172 WeakPolarHBondContact O-CB 3.39Å; I169-L172 PolarHBondContact O-N 3.37Å; I169-L172 VanDerWaalsContact O-N 3.16Å; L172-R174 VanDerWaalsContact C-N 3.31Å; L172-R174 PolarHBondContact O-N 2.78Å; L172-L175 WeakPolarHBondContact O-CB 3.21Å; L172-L175 PolarHBondContact O-N 2.91Å; L172-L175 VanDerWaalsContact O-N 3.12Å; L172-A176 PolarHBondContact O-N 3.07Å; L172-V192 HydrophobicContact CB-CG2 4.35Å; L172-V192 HydrophobicContact CD2-CG2 4.19Å; L172-V192 HydrophobicContact CG-CG2 4.2Å
173	A	97	Very high	95.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.8	-43.2	176.4	0	0	0	0	0	111.4	M53 I169 R171 L175 A176 V177 V184 V192	M53-A173 HydrophobicContact CB-CB 3.92Å; M53-A173 HydrophobicContact CG-CB 4.01Å; M53-A173 HydrophobicContact SD-CB 3.54Å; M53-A173 VanDerWaalsContact SD-CB 3.54Å; I169-A173 PolarHBondContact O-N 3.43Å; R171-A173 VanDerWaalsContact C-N 3.28Å; R171-A173 PolarHBondContact O-N 2.91Å; A173-L175 PolarHBondContact O-N 3.29Å; A173-A176 WeakPolarHBondContact O-CB 3.37Å; A173-A176 PolarHBondContact O-N 3.05Å; A173-V177 PolarHBondContact O-N 3.49Å; A173-V177 VanDerWaalsContact O-N 3.12Å; A173-V184 HydrophobicContact CB-CG1 4.23Å; A173-V192 HydrophobicContact CB-CB 4.38Å; A173-V192 HydrophobicContact CB-CG1 3.72Å; A173-V192 HydrophobicContact CB-CG2 3.7Å
174	R	95.5	Very high	95.2	Very high	7 Å²	7	34.8 Å²	34.8	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-65.1	-38.3	174.1	-176	57.9	65.9	-178.1	-6.5	112.8	R49 Q51 M53 E57 P170 R171 L172 A176 V177 Q178	R49-R174 WeakPolarHBondContact O-CD 3.29Å; R49-R174 PolarHBondContact O-NE 2.9Å; R49-R174 VanDerWaalsContact O-NE 3.16Å; R49-R174 PolarHBondContact O-NH1 2.61Å; Q51-R174 WeakPolarHBondContact O-CG 3.04Å; Q51-R174 PolarHBondContact O-NE 3.05Å; M53-R174 HydrophobicContact CG-CB 4.45Å; E57-R174 IonicContact OE1-NH2 2.79Å; P170-R174 PolarHBondContact O-N 2.74Å; R171-R174 PolarHBondContact O-N 3.2Å; R171-R174 VanDerWaalsContact O-N 3.13Å; L172-R174 VanDerWaalsContact C-N 3.31Å; L172-R174 PolarHBondContact O-N 2.78Å; R174-A176 VanDerWaalsContact C-N 3.29Å; R174-A176 PolarHBondContact O-N 2.74Å; R174-V177 WeakPolarHBondContact O-CB 3.45Å; R174-V177 PolarHBondContact O-N 3.47Å; R174-Q178 WeakPolarHBondContact O-CG 2.85Å; R174-Q178 PolarHBondContact O-N 3.41Å
175	L	96.2	Very high	95.2	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-63.2	-36.5	174.9	-66.3	178.1	0	0	0	111.4	L120 L123 V124 F127 W128 R171 L172 A173 V177 Q178 A179	L120-L175 VanDerWaalsContact CD1-C 3.45Å; L120-L175 HydrophobicContact CD1-CB 3.63Å; L123-L175 HydrophobicContact CB-CD2 4.36Å; V124-L175 HydrophobicContact CG2-CD1 4.07Å; F127-L175 HydrophobicContact CB-CD1 4.1Å; F127-L175 HydrophobicContact CG-CD1 4.35Å; W128-L175 HydrophobicContact CE3-CD1 4.4Å; W128-L175 HydrophobicContact CH2-CD1 4.1Å; W128-L175 HydrophobicContact CZ3-CD1 3.73Å; R171-L175 WeakPolarHBondContact O-CG 3.37Å; R171-L175 PolarHBondContact O-N 3.35Å; L172-L175 WeakPolarHBondContact O-CB 3.21Å; L172-L175 PolarHBondContact O-N 2.91Å; L172-L175 VanDerWaalsContact O-N 3.12Å; A173-L175 PolarHBondContact O-N 3.29Å; L175-V177 VanDerWaalsContact C-N 3.34Å; L175-Q178 CarbonylContact O-C 2.78Å; L175-Q178 WeakPolarHBondContact O-CB 3.42Å; L175-Q178 PolarHBondContact O-N 3.42Å; L175-Q178 VanDerWaalsContact O-N 3.16Å; L175-A179 WeakPolarHBondContact O-CB 3.5Å; L175-A179 PolarHBondContact O-N 3.5Å
176	A	97	Very high	95.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.5	-41.2	174.5	0	0	0	0	0	111.5	L120 I159 L172 A173 R174 Q178 A179 G180 F181 V184 A194	L120-A176 HydrophobicContact CD1-CB 4.36Å; L120-A176 HydrophobicContact CD2-CB 3.86Å; I159-A176 HydrophobicContact CD1-CB 4.25Å; L172-A176 PolarHBondContact O-N 3.07Å; A173-A176 WeakPolarHBondContact O-CB 3.37Å; A173-A176 PolarHBondContact O-N 3.05Å; R174-A176 VanDerWaalsContact C-N 3.29Å; R174-A176 PolarHBondContact O-N 2.74Å; A176-Q178 VanDerWaalsContact C-N 3.3Å; A176-Q178 PolarHBondContact O-N 2.88Å; A176-A179 PolarHBondContact O-N 2.87Å; A176-G180 PolarHBondContact O-N 3.28Å; A176-F181 HydrophobicContact CB-CD2 4.04Å; A176-F181 WeakPolarHBondContact O-CD2 3.33Å; A176-F181 PolarHBondContact O-N 2.85Å; A176-V184 HydrophobicContact CB-CG1 4.12Å; A176-V184 HydrophobicContact CB-CG2 3.89Å; A176-A194 HydrophobicContact CB-CB 4.47Å
177	V	94.2	Very high	95.1	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.012	12%	0.117	C	C	.	.	H	α-helix	trans	-60.5	-40.2	172.3	168.8	0	0	0	0	111.1	T46 M53 Y59 A173 R174 L175 G180 V184	T46-V177 HydrophobicContact CG2-CG1 3.34Å; M53-V177 HydrophobicContact SD-CG2 3.79Å; Y59-V177 HydrophobicContact CD1-CB 4.18Å; Y59-V177 HydrophobicContact CD1-CG1 3.43Å; Y59-V177 VanDerWaalsContact CD1-CG1 3.43Å; Y59-V177 HydrophobicContact CD1-CG2 3.7Å; Y59-V177 HydrophobicContact CE1-CG1 3.47Å; Y59-V177 VanDerWaalsContact CE1-CG1 3.47Å; Y59-V177 HydrophobicContact CG-CG1 4.08Å; Y59-V177 HydrophobicContact CG-CG2 4.02Å; A173-V177 PolarHBondContact O-N 3.49Å; A173-V177 VanDerWaalsContact O-N 3.12Å; R174-V177 WeakPolarHBondContact O-CB 3.45Å; R174-V177 PolarHBondContact O-N 3.47Å; L175-V177 VanDerWaalsContact C-N 3.34Å; V177-G180 PolarHBondContact O-N 2.94Å; V177-V184 HydrophobicContact CG2-CB 3.65Å; V177-V184 HydrophobicContact CG2-CG1 4.1Å; V177-V184 HydrophobicContact CG2-CG2 3.61Å
178	Q	91.5	Very high	94.9	Very high	42 Å²	42	16.7 Å²	16.7	20%	0.196	9%	0.087	C	C	.	.	H	α-helix	trans	-71	-34.3	176.1	-71.5	173.9	-8.7	0	0	113.9	N50 L123 R174 L175 A176 G180	N50-Q178 PolarHBondContact OD1-NE2 3.24Å; L123-Q178 HydrophobicContact CD1-CB 4Å; R174-Q178 WeakPolarHBondContact O-CG 2.85Å; R174-Q178 PolarHBondContact O-N 3.41Å; L175-Q178 CarbonylContact O-C 2.78Å; L175-Q178 WeakPolarHBondContact O-CB 3.42Å; L175-Q178 PolarHBondContact O-N 3.42Å; L175-Q178 VanDerWaalsContact O-N 3.16Å; A176-Q178 VanDerWaalsContact C-N 3.3Å; A176-Q178 PolarHBondContact O-N 2.88Å; Q178-G180 PolarHBondContact O-N 3.27Å
179	A	92.6	Very high	94.7	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.033	11%	0.11	C	C	.	.	H	α-helix	trans	-64.5	-15.7	171.4	0	0	0	0	0	111.9	K116 L119 L120 L123 L175 A176 F181	K116-A179 VanDerWaalsContact CD-O 3.26Å; K116-A179 WeakPolarHBondContact CD-O 3.35Å; K116-A179 PolarHBondContact NZ-O 3.43Å; L119-A179 HydrophobicContact CB-CB 4.28Å; L120-A179 HydrophobicContact CB-CB 3.77Å; L120-A179 HydrophobicContact CD1-CB 4.33Å; L123-A179 HydrophobicContact CD1-CB 3.98Å; L175-A179 WeakPolarHBondContact O-CB 3.5Å; L175-A179 PolarHBondContact O-N 3.5Å; A176-A179 PolarHBondContact O-N 2.87Å; A179-F181 HydrophobicContact CB-CD2 4.17Å; A179-F181 HydrophobicContact CB-CE2 4.34Å
180	G	89.3	Confident	94.6	Very high	20 Å²	20	29.5 Å²	29.5	21%	0.206	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	37	176.2	0	0	0	0	0	112.8	K116 A176 V177 Q178	K116-G180 VanDerWaalsContact CD-O 3.29Å; K116-G180 WeakPolarHBondContact CD-O 3.32Å; K116-G180 WeakPolarHBondContact CE-O 3.49Å; K116-G180 PolarHBondContact NZ-O 3.43Å; K116-G180 VanDerWaalsContact NZ-O 3.11Å; A176-G180 PolarHBondContact O-N 3.28Å; V177-G180 PolarHBondContact O-N 2.94Å; Q178-G180 PolarHBondContact O-N 3.27Å
181	F	95.1	Very high	94.6	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.035	14%	0.136	C	C	.	.			trans	-59	142.1	158.9	-80.1	-94.9	0	0	0	109.4	K116 L117 L120 V157 A176 A179 W183 V184 A194 V196	K116-F181 HydrophobicContact CB-CD1 4.43Å; K116-F181 HydrophobicContact CB-CD2 4.09Å; K116-F181 HydrophobicContact CB-CE1 4.2Å; K116-F181 HydrophobicContact CB-CE2 3.84Å; K116-F181 HydrophobicContact CB-CG 4.39Å; K116-F181 HydrophobicContact CB-CZ 3.91Å; L117-F181 HydrophobicContact CB-CZ 4.31Å; L117-F181 HydrophobicContact CD1-CZ 4.08Å; L120-F181 HydrophobicContact CB-CE2 4.07Å; L120-F181 HydrophobicContact CD2-CE2 3.8Å; L120-F181 HydrophobicContact CD2-CZ 4.44Å; V157-F181 HydrophobicContact CG2-CE1 3.71Å; V157-F181 HydrophobicContact CG2-CZ 4.07Å; A176-F181 HydrophobicContact CB-CD2 4.04Å; A176-F181 WeakPolarHBondContact O-CD2 3.33Å; A176-F181 PolarHBondContact O-N 2.85Å; A179-F181 HydrophobicContact CB-CD2 4.17Å; A179-F181 HydrophobicContact CB-CE2 4.34Å; F181-W183 VanDerWaalsContact C-N 3.34Å; F181-V184 HydrophobicContact CB-CG2 3.66Å; F181-A194 HydrophobicContact CB-CB 4.3Å; F181-A194 HydrophobicContact CD1-CB 3.53Å; F181-A194 HydrophobicContact CD2-CB 4.45Å; F181-A194 HydrophobicContact CE1-CB 3.88Å; F181-A194 HydrophobicContact CG-CB 3.85Å; F181-A194 HydrophobicContact CZ-CB 4.47Å; F181-V196 HydrophobicContact CD1-CG1 3.74Å; F181-V196 HydrophobicContact CE1-CG1 4.11Å; F181-V196 HydrophobicContact CG-CG1 4.5Å
182	D	90.6	Very high	94.7	Very high	25 Å²	25	27.7 Å²	27.7	13%	0.134	13%	0.13	C	C	.	.	S	Bend	trans	-78.6	-24.9	-174.2	-63.6	-72.2	0	0	0	111.8	P60 R112 S195 V196 K197	P60-D182 WeakPolarHBondContact CD-O 3.14Å; R112-D182 IonicContact CZ-OD1 2.71Å; R112-D182 IonicContact CZ-OD2 2.96Å; R112-D182 VanDerWaalsContact CZ-OD2 3.3Å; R112-D182 IonicContact NE-OD2 2.9Å; R112-D182 PolarHBondContact NE-OD2 3.26Å; R112-D182 VanDerWaalsContact NH2-CG 3.29Å; R112-D182 IonicContact NH2-OD1 2.67Å; R112-D182 PolarHBondContact NH2-OD1 3.04Å; R112-D182 IonicContact NH2-OD2 3.08Å; R112-D182 PolarHBondContact NH2-OD2 2.65Å; D182-S195 PolarHBondContact N-O 2.82Å; D182-V196 WeakPolarHBondContact OD2-CA 3.24Å; D182-K197 HydrophobicContact CB-CD 4.28Å; D182-K197 HydrophobicContact CB-CG 3.89Å; D182-K197 VanDerWaalsContact CG-CG 3.49Å; D182-K197 WeakPolarHBondContact OD1-CD 3.11Å; D182-K197 WeakPolarHBondContact OD2-CB 3.43Å; D182-K197 WeakPolarHBondContact OD2-CG 3.31Å; D182-K197 PolarHBondContact OD2-N 3.01Å
183	W	95	Very high	94.7	Very high	9 Å²	9	28.3 Å²	28.3	3%	0.034	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	137.7	170.8	-167.4	80	0	0	0	110.6	R58 Y59 V62 E64 A69 S70 F181 Y185 H193 A194 S195	R58-W183 HydrophobicContact CB-CZ2 4.24Å; R58-W183 HydrophobicContact CG-CH2 4.44Å; R58-W183 HydrophobicContact CG-CZ2 3.72Å; Y59-W183 CarbonylContact O-C 3.46Å; Y59-W183 WeakPolarHBondContact O-CA 3.48Å; V62-W183 PolarHBondContact O-NE1 2.85Å; E64-W183 HydrophobicContact CB-CD2 3.8Å; E64-W183 HydrophobicContact CB-CE3 3.77Å; E64-W183 HydrophobicContact CB-CG 4.4Å; E64-W183 HydrophobicContact CB-CH2 3.92Å; E64-W183 HydrophobicContact CB-CZ2 3.97Å; E64-W183 HydrophobicContact CB-CZ3 3.82Å; E64-W183 HydrophobicContact CG-CD2 3.96Å; E64-W183 HydrophobicContact CG-CE3 3.65Å; E64-W183 HydrophobicContact CG-CG 4.41Å; E64-W183 HydrophobicContact CG-CZ3 3.98Å; A69-W183 HydrophobicContact CB-CB 4.03Å; A69-W183 HydrophobicContact CB-CG 4.05Å; S70-W183 WeakPolarHBondContact OG-CB 3.42Å; F181-W183 VanDerWaalsContact C-N 3.34Å; W183-Y185 AromaticContact CH2-CD1 3.59Å; W183-Y185 HydrophobicContact CH2-CD1 3.59Å; W183-Y185 AromaticContact CH2-CG 3.69Å; W183-Y185 HydrophobicContact CH2-CG 3.69Å; W183-Y185 HydrophobicContact CZ2-CD1 4.44Å; W183-Y185 HydrophobicContact CZ2-CG 4.24Å; W183-Y185 VanDerWaalsContact CZ3-CB 3.47Å; W183-Y185 HydrophobicContact CZ3-CD1 4.17Å; W183-Y185 HydrophobicContact CZ3-CG 4.24Å; W183-H193 AromaticContact CE3-CD2 3.75Å; W183-H193 AromaticContact CZ3-CD2 3.34Å; W183-H193 WeakPolarHBondContact CZ3-CD2 3.41Å; W183-H193 AromaticContact CZ3-NE2 3.94Å; W183-A194 WeakPolarHBondContact O-CA 3.49Å; W183-S195 PolarHBondContact N-O 3.5Å; W183-S195 VanDerWaalsContact N-O 3.16Å; W183-S195 PolarHBondContact O-N 3.41Å
184	V	97.1	Very high	94.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.7	177	-178.1	0	0	0	0	109.2	M53 R58 Y59 A173 A176 V177 F181 V192 H193 A194	M53-V184 HydrophobicContact CE-CG1 4.4Å; M53-V184 HydrophobicContact SD-CB 4.43Å; M53-V184 HydrophobicContact SD-CG1 3.89Å; R58-V184 CarbonylContact C-O 3.55Å; R58-V184 VanDerWaalsContact CA-O 3.28Å; R58-V184 WeakPolarHBondContact CA-O 3.07Å; Y59-V184 PolarHBondContact N-O 3.29Å; Y59-V184 PolarHBondContact O-N 3.42Å; A173-V184 HydrophobicContact CB-CG1 4.23Å; A176-V184 HydrophobicContact CB-CG1 4.12Å; A176-V184 HydrophobicContact CB-CG2 3.89Å; V177-V184 HydrophobicContact CG2-CB 3.65Å; V177-V184 HydrophobicContact CG2-CG1 4.1Å; V177-V184 HydrophobicContact CG2-CG2 3.61Å; F181-V184 HydrophobicContact CB-CG2 3.66Å; V184-V192 HydrophobicContact CG1-CG1 3.56Å; V184-H193 WeakPolarHBondContact CA-O 3.38Å; V184-A194 HydrophobicContact CG2-CB 4.19Å
185	Y	96.9	Very high	94.7	Very high	23 Å²	23	28 Å²	28	9%	0.09	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123.6	-179.5	177.2	-147.3	0	0	0	110.7	K56 E57 R58 W183 E187 H193	K56-Y185 HydrophobicContact CD-CE2 4.18Å; K56-Y185 WeakPolarHBondContact CD-OH 3.07Å; E57-Y185 WeakPolarHBondContact O-CD2 3.49Å; R58-Y185 HydrophobicContact CB-CD2 4.42Å; R58-Y185 HydrophobicContact CG-CD2 3.17Å; R58-Y185 HydrophobicContact CG-CE2 3.75Å; R58-Y185 HydrophobicContact CG-CG 3.68Å; R58-Y185 PolarHBondContact NH2-OH 3.06Å; W183-Y185 AromaticContact CH2-CD1 3.59Å; W183-Y185 HydrophobicContact CH2-CD1 3.59Å; W183-Y185 AromaticContact CH2-CG 3.69Å; W183-Y185 HydrophobicContact CH2-CG 3.69Å; W183-Y185 HydrophobicContact CZ2-CD1 4.44Å; W183-Y185 HydrophobicContact CZ2-CG 4.24Å; W183-Y185 VanDerWaalsContact CZ3-CB 3.47Å; W183-Y185 HydrophobicContact CZ3-CD1 4.17Å; W183-Y185 HydrophobicContact CZ3-CG 4.24Å; Y185-E187 HydrophobicContact CD1-CB 3.49Å; Y185-E187 VanDerWaalsContact CD1-CB 3.49Å; Y185-E187 HydrophobicContact CD1-CG 3.96Å; Y185-E187 HydrophobicContact CE1-CB 3.5Å; Y185-E187 HydrophobicContact CE1-CG 3.53Å; Y185-E187 HydrophobicContact CG-CB 4.09Å; Y185-E187 PolarHBondContact O-N 3.03Å; Y185-H193 PolarHBondContact N-O 3.03Å; Y185-H193 PolarHBondContact O-N 3.29Å
186	F	96.2	Very high	94.6	Very high	12 Å²	12	27.8 Å²	27.8	5%	0.053	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	72.9	167.8	-171.8	-177.5	0	0	0	109.4	I54 Y55 K56 E57 I169 P170 S188	I54-F186 VanDerWaalsContact C-CD1 3.49Å; I54-F186 VanDerWaalsContact O-CD1 3.32Å; I54-F186 WeakPolarHBondContact O-CD1 3.5Å; Y55-F186 VanDerWaalsContact CA-CD1 3.41Å; Y55-F186 HydrophobicContact CD2-CD2 4.22Å; Y55-F186 HydrophobicContact CD2-CE1 4.38Å; Y55-F186 HydrophobicContact CD2-CE2 4.05Å; Y55-F186 HydrophobicContact CD2-CG 4.47Å; Y55-F186 HydrophobicContact CD2-CZ 4.12Å; K56-F186 WeakPolarHBondContact CA-O 3.4Å; K56-F186 PolarHBondContact N-O 3.47Å; E57-F186 PolarHBondContact O-N 2.85Å; I169-F186 HydrophobicContact CB-CE2 4.17Å; I169-F186 HydrophobicContact CB-CZ 4.37Å; I169-F186 HydrophobicContact CG2-CD2 3.7Å; I169-F186 HydrophobicContact CG2-CE2 3.26Å; I169-F186 HydrophobicContact CG2-CZ 3.88Å; P170-F186 HydrophobicContact CB-CE1 4.08Å; P170-F186 HydrophobicContact CG-CE1 3.71Å; P170-F186 HydrophobicContact CG-CZ 3.97Å; F186-S188 VanDerWaalsContact CD2-O 3.26Å; F186-S188 WeakPolarHBondContact CD2-O 3.1Å; F186-S188 WeakPolarHBondContact CE2-O 3.48Å
187	E	91.5	Very high	94.1	Very high	69 Å²	69	30.1 Å²	30.1	32%	0.322	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	-51.2	-169.9	178.9	171.8	-147.7	0	0	113.2	K56 Y185 H191 H193	K56-E187 WeakPolarHBondContact CE-O 3.28Å; K56-E187 PolarHBondContact NZ-O 2.89Å; Y185-E187 HydrophobicContact CD1-CB 3.49Å; Y185-E187 VanDerWaalsContact CD1-CB 3.49Å; Y185-E187 HydrophobicContact CD1-CG 3.96Å; Y185-E187 HydrophobicContact CE1-CB 3.5Å; Y185-E187 HydrophobicContact CE1-CG 3.53Å; Y185-E187 HydrophobicContact CG-CB 4.09Å; Y185-E187 PolarHBondContact O-N 3.03Å; E187-H191 IonicContact OE2-CD2 3.74Å; E187-H191 IonicContact OE2-CE1 3.16Å; E187-H191 IonicContact OE2-NE2 3.84Å; E187-H191 PolarHBondContact OE2-NE2 2.97Å; E187-H193 HydrophobicContact CB-CB 4.29Å
188	S	92.6	Very high	93.6	Very high	23 Å²	23	30.8 Å²	30.8	16%	0.161	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	161.3	-173	92.7	0	0	0	0	109.1	F186 Q190 H191	F186-S188 VanDerWaalsContact CD2-O 3.26Å; F186-S188 WeakPolarHBondContact CD2-O 3.1Å; F186-S188 WeakPolarHBondContact CE2-O 3.48Å; S188-Q190 PolarHBondContact O-N 3.44Å; S188-Q190 VanDerWaalsContact O-N 3.13Å; S188-Q190 PolarHBondContact OG-N 3.02Å; S188-H191 PolarHBondContact OG-CE1 3.4Å; S188-H191 VanDerWaalsContact OG-CE1 3.3Å; S188-H191 PolarHBondContact OG-N 3.04Å; S188-H191 VanDerWaalsContact OG-N 3.11Å; S188-H191 PolarHBondContact OG-ND1 2.84Å
189	R	92.9	Very high	93	Very high	169 Å²	169	31 Å²	31	64%	0.638	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	1.2	172.9	-68.9	-169.1	173.8	117	-1.7	113.4	Y55	Y55-R189 HydrophobicContact CD2-CG 4.04Å; Y55-R189 HydrophobicContact CE2-CG 3.86Å
190	Q	94.3	Very high	91.7	Very high	135 Å²	135	33.3 Å²	33.3	63%	0.631	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-19.1	-175	-62.9	-179.5	-18.7	0	0	112.7	T160 S188	T160-Q190 WeakPolarHBondContact CG2-O 3.49Å; S188-Q190 PolarHBondContact O-N 3.44Å; S188-Q190 VanDerWaalsContact O-N 3.13Å; S188-Q190 PolarHBondContact OG-N 3.02Å
191	H	96.6	Very high	89.8	Confident	29 Å²	29	33.3 Å²	33.3	13%	0.134	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	160.8	-178.9	67.9	-85.1	0	0	0	112.5	I136 D158 I159 T160 E187 S188	I136-H191 HydrophobicContact CD1-CB 3.93Å; D158-H191 VanDerWaalsContact CG-CD2 3.5Å; D158-H191 IonicContact OD1-CD2 3.3Å; D158-H191 PolarHBondContact OD1-CD2 2.97Å; D158-H191 IonicContact OD1-NE2 2.66Å; D158-H191 IonicContact OD2-CD2 2.95Å; D158-H191 IonicContact OD2-NE2 3.98Å; I159-H191 WeakPolarHBondContact O-CA 3.49Å; T160-H191 HydrophobicContact CG2-CB 3.93Å; E187-H191 IonicContact OE2-CD2 3.74Å; E187-H191 IonicContact OE2-CE1 3.16Å; E187-H191 IonicContact OE2-NE2 3.84Å; E187-H191 PolarHBondContact OE2-NE2 2.97Å; S188-H191 PolarHBondContact OG-CE1 3.4Å; S188-H191 VanDerWaalsContact OG-CE1 3.3Å; S188-H191 PolarHBondContact OG-N 3.04Å; S188-H191 VanDerWaalsContact OG-N 3.11Å; S188-H191 PolarHBondContact OG-ND1 2.84Å
192	V	97.9	Very high	87.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.3	166.2	-174.8	0	0	0	0	107.7	D158 I159 I169 L172 A173 V184	D158-V192 WeakPolarHBondContact CA-O 3.46Å; I159-V192 HydrophobicContact CD1-CB 4.32Å; I159-V192 HydrophobicContact CG1-CB 3.83Å; I159-V192 WeakPolarHBondContact CG1-O 3.13Å; I159-V192 PolarHBondContact N-O 3.34Å; I159-V192 PolarHBondContact O-N 2.9Å; I169-V192 HydrophobicContact CG2-CG2 3.6Å; L172-V192 HydrophobicContact CB-CG2 4.35Å; L172-V192 HydrophobicContact CD2-CG2 4.19Å; L172-V192 HydrophobicContact CG-CG2 4.2Å; A173-V192 HydrophobicContact CB-CB 4.38Å; A173-V192 HydrophobicContact CB-CG1 3.72Å; A173-V192 HydrophobicContact CB-CG2 3.7Å; V184-V192 HydrophobicContact CG1-CG1 3.56Å
193	H	97.7	Very high	84.8	Confident	13 Å²	13	46.7 Å²	46.7	6%	0.06	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.2	168.2	-177	96.3	0	0	0	109.1	E64 H151 D158 W183 V184 Y185 E187	E64-H193 IonicContact OE1-CD2 3.92Å; E64-H193 IonicContact OE1-NE2 3.7Å; E64-H193 PolarHBondContact OE1-NE2 2.92Å; E64-H193 IonicContact OE2-NE2 2.74Å; H151-H193 AromaticContact CD2-CE1 3.79Å; H151-H193 AromaticContact NE2-CE1 3.24Å; H151-H193 PolarHBondContact NE2-CE1 2.82Å; H151-H193 AromaticContact NE2-ND1 3.54Å; D158-H193 WeakPolarHBondContact OD1-CB 3.12Å; D158-H193 IonicContact OD1-CE1 3.22Å; D158-H193 IonicContact OD1-CG 2.91Å; D158-H193 IonicContact OD1-ND1 2.97Å; D158-H193 PolarHBondContact OD1-ND1 3.05Å; W183-H193 AromaticContact CE3-CD2 3.75Å; W183-H193 AromaticContact CZ3-CD2 3.34Å; W183-H193 WeakPolarHBondContact CZ3-CD2 3.41Å; W183-H193 AromaticContact CZ3-NE2 3.94Å; V184-H193 WeakPolarHBondContact CA-O 3.38Å; Y185-H193 PolarHBondContact N-O 3.03Å; Y185-H193 PolarHBondContact O-N 3.29Å; E187-H193 HydrophobicContact CB-CB 4.29Å
194	A	97.9	Very high	82.1	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	142.1	176.4	0	0	0	0	0	110.9	A156 V157 A176 F181 W183 V184	A156-A194 CarbonylContact C-O 3.49Å; A156-A194 WeakPolarHBondContact CA-O 3.44Å; V157-A194 HydrophobicContact CG2-CB 4.23Å; V157-A194 WeakPolarHBondContact CG2-O 3.03Å; V157-A194 PolarHBondContact N-O 2.76Å; V157-A194 PolarHBondContact O-N 3.45Å; A176-A194 HydrophobicContact CB-CB 4.47Å; F181-A194 HydrophobicContact CB-CB 4.3Å; F181-A194 HydrophobicContact CD1-CB 3.53Å; F181-A194 HydrophobicContact CD2-CB 4.45Å; F181-A194 HydrophobicContact CE1-CB 3.88Å; F181-A194 HydrophobicContact CG-CB 3.85Å; F181-A194 HydrophobicContact CZ-CB 4.47Å; W183-A194 WeakPolarHBondContact O-CA 3.49Å; V184-A194 HydrophobicContact CG2-CB 4.19Å
195	S	96.7	Very high	79.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	164.2	-179.9	61.6	0	0	0	0	113.2	E64 S70 R155 D182 W183	E64-S195 WeakPolarHBondContact CG-OG 3.4Å; E64-S195 WeakPolarHBondContact OE1-CB 3.35Å; E64-S195 PolarHBondContact OE1-OG 3.13Å; S70-S195 WeakPolarHBondContact CB-OG 3.42Å; S70-S195 WeakPolarHBondContact OG-CB 3.38Å; S70-S195 PolarHBondContact OG-O 3.14Å; S70-S195 PolarHBondContact OG-OG 3.01Å; R155-S195 CarbonylContact O-C 3.55Å; R155-S195 WeakPolarHBondContact O-CA 3.12Å; R155-S195 VanDerWaalsContact O-CB 3.29Å; R155-S195 WeakPolarHBondContact O-CB 3.49Å; D182-S195 PolarHBondContact N-O 2.82Å; W183-S195 PolarHBondContact N-O 3.5Å; W183-S195 VanDerWaalsContact N-O 3.16Å; W183-S195 PolarHBondContact O-N 3.41Å
196	V	93.2	Very high	77.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.246	C	C	.	.			trans	-125.9	156	-178	-60.8	0	0	0	0	111.5	S70 R112 C113 K116 R155 F181 D182	S70-V196 PolarHBondContact OG-N 3.07Å; R112-V196 HydrophobicContact CB-CG2 4.37Å; R112-V196 HydrophobicContact CG-CB 4.12Å; R112-V196 HydrophobicContact CG-CG1 4.42Å; R112-V196 HydrophobicContact CG-CG2 4.28Å; C113-V196 HydrophobicContact CB-CG2 3.63Å; K116-V196 HydrophobicContact CB-CG1 4.18Å; K116-V196 HydrophobicContact CG-CG1 3.89Å; R155-V196 HydrophobicContact CB-CG2 4.37Å; R155-V196 PolarHBondContact NH1-O 3.26Å; R155-V196 VanDerWaalsContact NH1-O 3.07Å; R155-V196 PolarHBondContact O-N 3.21Å; F181-V196 HydrophobicContact CD1-CG1 3.74Å; F181-V196 HydrophobicContact CE1-CG1 4.11Å; F181-V196 HydrophobicContact CG-CG1 4.5Å; D182-V196 WeakPolarHBondContact OD2-CA 3.24Å
197	K	87.3	Confident	74.5	Confident	50 Å²	50	55.6 Å²	55.6	22%	0.217	26%	0.256	C	S	.	.			trans	-55.1	149.8	164	-71.6	173.4	175.4	175.6	0	110.6	A69 S70 R112 D182	A69-K197 WeakPolarHBondContact O-CE 3.38Å; A69-K197 WeakPolarHBondContact O-CG 3.29Å; S70-K197 WeakPolarHBondContact O-CA 3.5Å; R112-K197 VanDerWaalsContact CD-O 3.23Å; R112-K197 WeakPolarHBondContact CD-O 3.42Å; D182-K197 HydrophobicContact CB-CD 4.28Å; D182-K197 HydrophobicContact CB-CG 3.89Å; D182-K197 VanDerWaalsContact CG-CG 3.49Å; D182-K197 WeakPolarHBondContact OD1-CD 3.11Å; D182-K197 WeakPolarHBondContact OD2-CB 3.43Å; D182-K197 WeakPolarHBondContact OD2-CG 3.31Å; D182-K197 PolarHBondContact OD2-N 3.01Å
198	S	82.9	Confident	72.5	Confident	15 Å²	15	53 Å²	53	11%	0.105	25%	0.245	C	C	.	.			trans	-54.7	146.9	173.6	-177.7	0	0	0	0	112.8	E74 R155 N200 G201	E74-S198 WeakPolarHBondContact OE1-CB 3.39Å; E74-S198 PolarHBondContact OE1-OG 3.48Å; R155-S198 VanDerWaalsContact CD-CA 3.41Å; S198-N200 PolarHBondContact O-N 3.15Å; S198-N200 WeakPolarHBondContact OG-CB 3.13Å; S198-N200 PolarHBondContact OG-N 3.22Å; S198-G201 VanDerWaalsContact O-CA 3.24Å; S198-G201 WeakPolarHBondContact O-CA 3.47Å; S198-G201 PolarHBondContact O-N 2.86Å
199	D	78	Confident	70.9	Confident	48 Å²	48	52.7 Å²	52.7	26%	0.257	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-62.1	-27.9	169.9	-81.7	-7.3	0	0	0	112	T110 N111 R112 G201	T110-D199 WeakPolarHBondContact CB-OD2 3.39Å; N111-D199 WeakPolarHBondContact CB-OD2 3.41Å; N111-D199 PolarHBondContact N-OD1 3.31Å; N111-D199 PolarHBondContact N-OD2 3.17Å; R112-D199 WeakPolarHBondContact CA-OD1 2.93Å; R112-D199 WeakPolarHBondContact CB-OD1 3.22Å; R112-D199 PolarHBondContact N-OD1 2.82Å; D199-G201 PolarHBondContact O-N 3.02Å
200	N	66.5	Low	70.3	Confident	51 Å²	51	44.6 Å²	44.6	27%	0.273	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-63.2	3.9	166.8	-57.9	-30.2	0	0	0	111	E74 S198 Q202 K203 R204	E74-N200 PolarHBondContact OE2-ND2 3.31Å; S198-N200 PolarHBondContact O-N 3.15Å; S198-N200 WeakPolarHBondContact OG-CB 3.13Å; S198-N200 PolarHBondContact OG-N 3.22Å; N200-Q202 PolarHBondContact O-N 3.16Å; N200-K203 HydrophobicContact CB-CB 4.28Å; N200-K203 CarbonylContact O-C 3.59Å; N200-K203 WeakPolarHBondContact O-CA 3.35Å; N200-K203 WeakPolarHBondContact O-CB 3.48Å; N200-K203 PolarHBondContact O-N 3.02Å; N200-R204 PolarHBondContact O-N 3.26Å
201	G	48.7	Very low	70.1	Confident	20 Å²	20	38.2 Å²	38.2	21%	0.206	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-34.9	-33.6	159.9	0	0	0	0	0	116.9	S198 D199 R204	S198-G201 VanDerWaalsContact O-CA 3.24Å; S198-G201 WeakPolarHBondContact O-CA 3.47Å; S198-G201 PolarHBondContact O-N 2.86Å; D199-G201 PolarHBondContact O-N 3.02Å; G201-R204 VanDerWaalsContact CA-CG 3.46Å; G201-R204 WeakPolarHBondContact O-CB 3.45Å; G201-R204 WeakPolarHBondContact O-CD 3.42Å; G201-R204 WeakPolarHBondContact O-CG 3.38Å
202	Q	40.5	Very low	69.9	Low	174 Å²	174	36.9 Å²	36.9	81%	0.813	17%	0.174	S	C	*	.	S	Bend	trans	-95.4	-26	175.5	-71.3	-84.7	-48	0	0	112	N200 R204	N200-Q202 PolarHBondContact O-N 3.16Å; Q202-R204 PolarHBondContact O-N 3.34Å
203	K	40.6	Very low	69.5	Low	140 Å²	140	37.1 Å²	37.1	61%	0.609	18%	0.177	S	C	*	.	S	Bend	trans	-82.4	30.1	157.7	-64.6	-174	174.5	-168.6	0	110.9	N200 F205	N200-K203 HydrophobicContact CB-CB 4.28Å; N200-K203 CarbonylContact O-C 3.59Å; N200-K203 WeakPolarHBondContact O-CA 3.35Å; N200-K203 WeakPolarHBondContact O-CB 3.48Å; N200-K203 PolarHBondContact O-N 3.02Å; K203-F205 CarbonylContact O-C 3.6Å; K203-F205 PolarHBondContact O-N 3.24Å
204	R	38.8	Very low	69.2	Low	57 Å²	57	40.3 Å²	40.3	22%	0.215	19%	0.194	C	C	.	.			trans	-74.5	32.7	170.9	-90.4	179.2	-177.4	-122.9	-17.1	112.3	N200 G201 Q202 R206	N200-R204 PolarHBondContact O-N 3.26Å; G201-R204 VanDerWaalsContact CA-CG 3.46Å; G201-R204 WeakPolarHBondContact O-CB 3.45Å; G201-R204 WeakPolarHBondContact O-CD 3.42Å; G201-R204 WeakPolarHBondContact O-CG 3.38Å; Q202-R204 PolarHBondContact O-N 3.34Å; R204-R206 WeakPolarHBondContact O-CB 3.34Å; R204-R206 WeakPolarHBondContact O-CG 3.34Å; R204-R206 PolarHBondContact O-N 3.04Å
205	F	42.8	Very low	69.1	Low	54 Å²	54	40.4 Å²	40.4	24%	0.237	20%	0.195	C	C	.	.				-63.7	66.1	121.2	-33.7	-66.1	0	0	0	106.8	K203 Q207 I393 E398 L401	K203-F205 CarbonylContact O-C 3.6Å; K203-F205 PolarHBondContact O-N 3.24Å; F205-Q207 WeakPolarHBondContact O-CA 3.07Å; F205-Q207 PolarHBondContact O-N 3.36Å; F205-I393 HydrophobicContact CB-CD1 3.12Å; F205-I393 HydrophobicContact CD1-CD1 3.67Å; F205-I393 HydrophobicContact CD2-CD1 3.59Å; F205-I393 HydrophobicContact CE1-CD1 4.43Å; F205-I393 HydrophobicContact CE2-CD1 4.37Å; F205-I393 HydrophobicContact CG-CD1 3.16Å; F205-E398 HydrophobicContact CE1-CB 4.33Å; F205-E398 HydrophobicContact CE1-CG 3.53Å; F205-E398 HydrophobicContact CE2-CG 4.3Å; F205-E398 HydrophobicContact CZ-CG 3.36Å; F205-L401 HydrophobicContact CB-CD1 4.38Å; F205-L401 HydrophobicContact CD1-CB 3.44Å; F205-L401 VanDerWaalsContact CD1-CB 3.44Å; F205-L401 HydrophobicContact CD1-CD1 3.42Å; F205-L401 VanDerWaalsContact CD1-CD1 3.42Å; F205-L401 HydrophobicContact CD1-CD2 4.45Å; F205-L401 HydrophobicContact CD1-CG 3.89Å; F205-L401 HydrophobicContact CE1-CB 3.52Å; F205-L401 HydrophobicContact CE1-CD1 4.16Å; F205-L401 HydrophobicContact CE1-CG 4.4Å; F205-L401 HydrophobicContact CG-CD1 4.34Å
206	R	45	Very low	69	Low	65 Å²	65	45.1 Å²	45.1	25%	0.245	22%	0.216	C	C	.	.				22.4	76.7	96.7	-79.2	-166.2	-165.3	-146.4	3.1	103.7	R204 L208 G357 M416	R204-R206 WeakPolarHBondContact O-CB 3.34Å; R204-R206 WeakPolarHBondContact O-CG 3.34Å; R204-R206 PolarHBondContact O-N 3.04Å; R206-L208 PolarHBondContact O-N 2.65Å; R206-G357 PolarHBondContact NH1-O 3.41Å; R206-M416 PolarHBondContact NH1-SD 2.72Å
207	Q	43	Very low	69.2	Low	55 Å²	55	45.1 Å²	45.1	26%	0.257	22%	0.216	S	C	.	.			trans	-39	114.4	-174.1	-67.9	163.4	5.5	0	0	102.5	F205 H209	F205-Q207 WeakPolarHBondContact O-CA 3.07Å; F205-Q207 PolarHBondContact O-N 3.36Å; Q207-H209 VanDerWaalsContact CB-CD2 3.43Å; Q207-H209 WeakPolarHBondContact CB-CD2 3.34Å; Q207-H209 WeakPolarHBondContact CB-NE2 3.36Å; Q207-H209 WeakPolarHBondContact O-CA 3.38Å; Q207-H209 WeakPolarHBondContact O-CB 3.33Å; Q207-H209 PolarHBondContact O-N 2.86Å; Q207-H209 PolarHBondContact O-ND1 2.75Å; Q207-H209 PolarHBondContact OE1-CD2 3.3Å; Q207-H209 PolarHBondContact OE1-NE2 3.3Å
208	L	48.9	Very low	69.5	Low	16 Å²	16	43 Å²	43	8%	0.084	21%	0.208	C	C	.	.			trans	-60.8	96.5	166.6	-82.2	157	0	0	0	100.1	R206 C210 L254 H255 A337 I393 A397 L401	R206-L208 PolarHBondContact O-N 2.65Å; L208-C210 PolarHBondContact O-N 2.76Å; L208-C210 PolarHBondContact O-SG 3.44Å; L208-L254 HydrophobicContact CD1-CB 4.27Å; L208-H255 HydrophobicContact CB-CB 3.55Å; L208-H255 HydrophobicContact CD1-CB 3.99Å; L208-H255 HydrophobicContact CG-CB 4.43Å; L208-H255 PolarHBondContact O-ND1 3.4Å; L208-A337 HydrophobicContact CB-CB 4.41Å; L208-I393 HydrophobicContact CD1-CG1 4.23Å; L208-I393 HydrophobicContact CD1-CG2 3.65Å; L208-A397 HydrophobicContact CD1-CB 4.08Å; L208-L401 HydrophobicContact CD1-CD1 4.13Å
209	H	58.9	Low	70.1	Confident	15 Å²	15	42.6 Å²	42.6	7%	0.069	20%	0.204	C	C	.	.			trans	-82.1	116.6	-154.5	-97	118.8	0	0	0	103.3	Q207 S278 D280 H281 A356	Q207-H209 VanDerWaalsContact CB-CD2 3.43Å; Q207-H209 WeakPolarHBondContact CB-CD2 3.34Å; Q207-H209 WeakPolarHBondContact CB-NE2 3.36Å; Q207-H209 WeakPolarHBondContact O-CA 3.38Å; Q207-H209 WeakPolarHBondContact O-CB 3.33Å; Q207-H209 PolarHBondContact O-N 2.86Å; Q207-H209 PolarHBondContact O-ND1 2.75Å; Q207-H209 PolarHBondContact OE1-CD2 3.3Å; Q207-H209 PolarHBondContact OE1-NE2 3.3Å; H209-S278 VanDerWaalsContact CA-OG 3.24Å; H209-S278 WeakPolarHBondContact CA-OG 3.34Å; H209-S278 WeakPolarHBondContact CB-OG 3.47Å; H209-S278 VanDerWaalsContact CD2-CB 3.49Å; H209-S278 WeakPolarHBondContact CD2-CB 3.39Å; H209-S278 PolarHBondContact O-OG 3.31Å; H209-D280 IonicContact CE1-OD2 2.76Å; H209-D280 PolarHBondContact CE1-OD2 2.87Å; H209-D280 WeakPolarHBondContact ND1-CB 3.24Å; H209-D280 IonicContact ND1-OD2 3.16Å; H209-D280 PolarHBondContact ND1-OD2 2.87Å; H209-D280 IonicContact NE2-OD2 3.58Å; H209-H281 PolarHBondContact O-ND1 2.6Å; H209-A356 HydrophobicContact CB-CB 4.04Å
210	C	79.8	Confident	70.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.			trans	-103.3	-176.8	-160.6	-69.4	0	0	0	0	113	L208 H255 S278 Y335 Y336 A337	L208-C210 PolarHBondContact O-N 2.76Å; L208-C210 PolarHBondContact O-SG 3.44Å; C210-H255 PolarHBondContact SG-ND1 3.38Å; C210-H255 VanDerWaalsContact SG-ND1 3.37Å; C210-S278 PolarHBondContact N-OG 3.49Å; C210-S278 PolarHBondContact O-N 3.38Å; C210-S278 PolarHBondContact O-OG 3.13Å; C210-Y335 VanDerWaalsContact CB-C 3.45Å; C210-Y335 VanDerWaalsContact CB-CA 3.49Å; C210-Y335 HydrophobicContact CB-CD1 3.83Å; C210-Y335 HydrophobicContact CB-CG 4.16Å; C210-Y335 VanDerWaalsContact SG-C 3.56Å; C210-Y336 WeakPolarHBondContact CB-O 3.45Å; C210-Y336 PolarHBondContact SG-N 3.19Å; C210-Y336 VanDerWaalsContact SG-N 3.43Å; C210-A337 WeakPolarHBondContact SG-CB 3.42Å; C210-A337 PolarHBondContact SG-N 2.77Å
211	F	91.5	Very high	72	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-98.3	158.3	162	-52.2	-83.4	0	0	0	109.6	L227 L275 V277 H281 Y336 I347 V352	F211-L227 HydrophobicContact CB-CD2 3.51Å; F211-L227 HydrophobicContact CD2-CD2 4.27Å; F211-L227 HydrophobicContact CG-CD2 4.27Å; F211-L275 HydrophobicContact CD1-CD1 4.19Å; F211-L275 HydrophobicContact CE1-CD1 3.96Å; F211-V277 HydrophobicContact CD1-CB 4.1Å; F211-V277 HydrophobicContact CD1-CG2 3.92Å; F211-V277 HydrophobicContact CE1-CB 3.95Å; F211-V277 HydrophobicContact CE1-CG2 3.47Å; F211-V277 VanDerWaalsContact CE1-CG2 3.47Å; F211-V277 HydrophobicContact CZ-CG2 4.17Å; F211-H281 AromaticContact CE2-CE1 3.26Å; F211-H281 WeakPolarHBondContact CE2-CE1 3.25Å; F211-H281 AromaticContact CE2-ND1 3.83Å; F211-H281 AromaticContact CE2-NE2 3.45Å; F211-H281 WeakPolarHBondContact CE2-NE2 3.44Å; F211-H281 AromaticContact CZ-CD2 3.44Å; F211-H281 VanDerWaalsContact CZ-CD2 3.44Å; F211-H281 WeakPolarHBondContact CZ-CD2 3.49Å; F211-H281 AromaticContact CZ-CE1 3.41Å; F211-H281 VanDerWaalsContact CZ-CE1 3.41Å; F211-H281 WeakPolarHBondContact CZ-CE1 3.36Å; F211-H281 AromaticContact CZ-CG 3.9Å; F211-H281 AromaticContact CZ-ND1 3.86Å; F211-H281 AromaticContact CZ-NE2 3.13Å; F211-H281 WeakPolarHBondContact CZ-NE2 3.36Å; F211-Y336 PolarHBondContact N-O 3.41Å; F211-Y336 VanDerWaalsContact N-O 3.11Å; F211-Y336 PolarHBondContact O-N 3.39Å; F211-I347 HydrophobicContact CB-CD1 4.04Å; F211-I347 HydrophobicContact CD1-CB 4.37Å; F211-I347 HydrophobicContact CD1-CD1 3.59Å; F211-I347 HydrophobicContact CD1-CG2 3.97Å; F211-I347 HydrophobicContact CD2-CD1 3.14Å; F211-I347 HydrophobicContact CE1-CB 4.49Å; F211-I347 HydrophobicContact CE1-CD1 3.75Å; F211-I347 HydrophobicContact CE2-CD1 3.31Å; F211-I347 HydrophobicContact CG-CD1 3.27Å; F211-I347 HydrophobicContact CG-CG2 4.29Å; F211-I347 HydrophobicContact CZ-CD1 3.61Å; F211-V352 HydrophobicContact CE1-CB 4.23Å; F211-V352 HydrophobicContact CE1-CG1 4.09Å; F211-V352 HydrophobicContact CE1-CG2 3.91Å; F211-V352 HydrophobicContact CE2-CG2 4.15Å; F211-V352 HydrophobicContact CZ-CB 3.79Å; F211-V352 HydrophobicContact CZ-CG1 4.17Å; F211-V352 HydrophobicContact CZ-CG2 3.39Å
212	P	91.1	Very high	73.8	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.244	C	C	.	.			trans	-72.2	154.4	174.9	34.2	-37.1	0	0	0	111.5	D214 A215 F264 I276 A332 G334	P212-D214 VanDerWaalsContact CB-OD1 3.26Å; P212-D214 WeakPolarHBondContact CB-OD1 3.49Å; P212-D214 WeakPolarHBondContact CG-OD1 3.38Å; P212-D214 PolarHBondContact O-N 3.43Å; P212-A215 HydrophobicContact CG-CB 4.2Å; P212-A215 VanDerWaalsContact O-CB 3.31Å; P212-A215 WeakPolarHBondContact O-CB 3.44Å; P212-A215 PolarHBondContact O-N 2.9Å; P212-F264 HydrophobicContact CB-CE1 4.39Å; P212-F264 HydrophobicContact CB-CZ 4.32Å; P212-I276 VanDerWaalsContact CD-O 3.24Å; P212-I276 WeakPolarHBondContact CD-O 3.41Å; P212-I276 HydrophobicContact CG-CB 4.09Å; P212-I276 HydrophobicContact CG-CG2 3.92Å; P212-A332 HydrophobicContact CB-CB 3.76Å; P212-A332 HydrophobicContact CG-CB 4.13Å; P212-G334 WeakPolarHBondContact CA-O 3.44Å
213	G	90.3	Very high	76.3	Confident	6 Å²	6	41.2 Å²	41.2	6%	0.062	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-18.3	-173.9	0	0	0	0	0	114.5	S228	G213-S228 VanDerWaalsContact O-CB 3.23Å; G213-S228 WeakPolarHBondContact O-CB 3.35Å; G213-S228 PolarHBondContact O-N 3.15Å; G213-S228 PolarHBondContact O-OG 2.67Å
214	D	91.7	Very high	78.9	Confident	80 Å²	80	40.3 Å²	40.3	43%	0.428	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-5.4	177.4	64.1	-16.8	0	0	0	113.7	P212	P212-D214 VanDerWaalsContact CB-OD1 3.26Å; P212-D214 WeakPolarHBondContact CB-OD1 3.49Å; P212-D214 WeakPolarHBondContact CG-OD1 3.38Å; P212-D214 PolarHBondContact O-N 3.43Å
215	A	94	Very high	81.6	Confident	2 Å²	2	40.8 Å²	40.8	2%	0.017	22%	0.216	C	C	.	.			trans	-61.9	148.8	174.2	0	0	0	0	0	111.3	P212 K226 L227 I347	P212-A215 HydrophobicContact CG-CB 4.2Å; P212-A215 VanDerWaalsContact O-CB 3.31Å; P212-A215 WeakPolarHBondContact O-CB 3.44Å; P212-A215 PolarHBondContact O-N 2.9Å; A215-K226 CarbonylContact O-C 3.58Å; A215-K226 WeakPolarHBondContact O-CA 3.32Å; A215-L227 HydrophobicContact CB-CB 4.45Å; A215-L227 WeakPolarHBondContact O-CB 3.34Å; A215-L227 PolarHBondContact O-N 3.49Å; A215-I347 HydrophobicContact CB-CG2 3.63Å
216	F	95.9	Very high	84.1	Confident	98 Å²	98	42.2 Å²	42.2	43%	0.43	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	140.8	-176	-69.3	-80.4	0	0	0	112.6	Y224 R225 K226 I347 N348	F216-Y224 HydrophobicContact CB-CD1 4.47Å; F216-R225 WeakPolarHBondContact CA-O 3.22Å; F216-K226 HydrophobicContact CD1-CG 4.44Å; F216-K226 HydrophobicContact CE1-CG 4.04Å; F216-I347 WeakPolarHBondContact O-CA 3.4Å; F216-N348 PolarHBondContact N-OD1 2.71Å; F216-N348 PolarHBondContact O-N 3.46Å
217	V	96	Very high	86.5	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.9	174.6	179.8	0	0	0	0	109.4	Y224 R225 L227 L230 V236 I345 I347	V217-Y224 WeakPolarHBondContact O-CA 3.03Å; V217-R225 PolarHBondContact N-O 2.84Å; V217-R225 PolarHBondContact O-N 3.04Å; V217-L227 HydrophobicContact CG2-CB 4.49Å; V217-L227 HydrophobicContact CG2-CD1 3.98Å; V217-L230 HydrophobicContact CB-CD1 4.18Å; V217-L230 HydrophobicContact CB-CD2 4.42Å; V217-L230 HydrophobicContact CG1-CD1 4.13Å; V217-L230 HydrophobicContact CG1-CD2 4.49Å; V217-L230 HydrophobicContact CG2-CD1 3.96Å; V217-V236 HydrophobicContact CG1-CB 4.01Å; V217-V236 HydrophobicContact CG1-CG1 3.72Å; V217-I345 HydrophobicContact CG1-CD1 3.9Å; V217-I345 HydrophobicContact CG1-CG1 4.07Å; V217-I345 HydrophobicContact CG2-CD1 4.1Å; V217-I347 HydrophobicContact CG2-CG1 4.21Å
218	A	94.1	Very high	88.8	Confident	6 Å²	6	38.7 Å²	38.7	5%	0.05	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121.9	175.5	0	0	0	0	0	110.4	Y224 I237 M309	A218-Y224 HydrophobicContact CB-CD1 4.25Å; A218-Y224 HydrophobicContact CB-CE1 3.9Å; A218-I237 HydrophobicContact CB-CB 4.28Å; A218-I237 HydrophobicContact CB-CD1 4.14Å; A218-I237 HydrophobicContact CB-CG1 4.45Å; A218-I237 PolarHBondContact O-N 2.94Å; A218-M309 HydrophobicContact CB-CE 4.06Å; A218-M309 HydrophobicContact CB-SD 4.09Å
219	M	95.3	Very high	90.9	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.025	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-89.8	156.5	-178.6	-54.3	-58.4	-65.2	0	0	110.4	D221 G222 S223 R225 L230 D234 V236 I237	M219-D221 WeakPolarHBondContact CB-OD1 3.2Å; M219-D221 PolarHBondContact O-N 2.98Å; M219-G222 PolarHBondContact O-N 3.05Å; M219-S223 WeakPolarHBondContact CB-O 3.35Å; M219-S223 WeakPolarHBondContact CG-O 3.48Å; M219-S223 PolarHBondContact N-O 2.8Å; M219-R225 HydrophobicContact CG-CB 3.85Å; M219-R225 HydrophobicContact SD-CB 3.63Å; M219-L230 HydrophobicContact CE-CD2 3.92Å; M219-L230 HydrophobicContact SD-CD2 3.49Å; M219-L230 WeakPolarHBondContact SD-CD2 3.35Å; M219-D234 HydrophobicContact CE-CB 3.9Å; M219-V236 HydrophobicContact CE-CG1 4.38Å; M219-V236 HydrophobicContact SD-CG1 4.09Å; M219-I237 WeakPolarHBondContact O-CD1 3.45Å
220	A	92.6	Very high	92.6	Very high	44 Å²	44	42.1 Å²	42.1	36%	0.364	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.3	178.8	0	0	0	0	0	114.3	G222 L235 T247	A220-G222 PolarHBondContact O-N 2.86Å; A220-L235 HydrophobicContact CB-CB 3.58Å; A220-L235 WeakPolarHBondContact CB-O 3.46Å; A220-L235 PolarHBondContact N-O 3.17Å; A220-T247 HydrophobicContact CB-CG2 3.53Å
221	D	91.4	Very high	93.1	Very high	117 Å²	117	48.3 Å²	48.3	63%	0.626	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	2.3	175.5	65.6	2.2	0	0	0	113.4	M219 S223	M219-D221 WeakPolarHBondContact CB-OD1 3.2Å; M219-D221 PolarHBondContact O-N 2.98Å; D221-S223 VanDerWaalsContact C-N 3.28Å; D221-S223 PolarHBondContact O-N 3.37Å; D221-S223 WeakPolarHBondContact OD1-CB 3.47Å; D221-S223 PolarHBondContact OD1-N 3.05Å; D221-S223 PolarHBondContact OD1-OG 2.64Å; D221-S223 PolarHBondContact OD2-OG 3.42Å
222	G	88.3	Confident	93.1	Very high	56 Å²	56	50 Å²	50	58%	0.577	27%	0.267	S	S	*	.	S	Bend	trans	82.7	-2.4	-177.4	0	0	0	0	0	114.3	M219 A220	M219-G222 PolarHBondContact O-N 3.05Å; A220-G222 PolarHBondContact O-N 2.86Å
223	S	93.1	Very high	93.1	Very high	47 Å²	47	51.8 Å²	51.8	33%	0.329	29%	0.286	S	S	.	.			trans	-78.8	164.9	173.3	75	0	0	0	0	111.9	M219 D221	M219-S223 WeakPolarHBondContact CB-O 3.35Å; M219-S223 WeakPolarHBondContact CG-O 3.48Å; M219-S223 PolarHBondContact N-O 2.8Å; D221-S223 VanDerWaalsContact C-N 3.28Å; D221-S223 PolarHBondContact O-N 3.37Å; D221-S223 WeakPolarHBondContact OD1-CB 3.47Å; D221-S223 PolarHBondContact OD1-N 3.05Å; D221-S223 PolarHBondContact OD1-OG 2.64Å; D221-S223 PolarHBondContact OD2-OG 3.42Å
224	Y	94.4	Very high	93.3	Very high	122 Å²	122	52.9 Å²	52.9	48%	0.478	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.4	169.6	-69.2	-90.4	0	0	0	109.5	F216 V217 A218	F216-Y224 HydrophobicContact CB-CD1 4.47Å; V217-Y224 WeakPolarHBondContact O-CA 3.03Å; A218-Y224 HydrophobicContact CB-CD1 4.25Å; A218-Y224 HydrophobicContact CB-CE1 3.9Å
225	R	95.5	Very high	93.5	Very high	66 Å²	66	53 Å²	53	25%	0.249	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146.7	178	-165.5	176.5	-62.9	174.8	1.9	110.2	F216 V217 M219 Q229 L230 D234	F216-R225 WeakPolarHBondContact CA-O 3.22Å; V217-R225 PolarHBondContact N-O 2.84Å; V217-R225 PolarHBondContact O-N 3.04Å; M219-R225 HydrophobicContact CG-CB 3.85Å; M219-R225 HydrophobicContact SD-CB 3.63Å; R225-Q229 WeakPolarHBondContact CD-O 3.18Å; R225-Q229 HydrophobicContact CG-CB 3.71Å; R225-L230 HydrophobicContact CB-CD2 4.4Å; R225-D234 IonicContact CZ-OD2 3.03Å; R225-D234 IonicContact NH1-OD1 2.99Å; R225-D234 PolarHBondContact NH1-OD1 2.85Å; R225-D234 IonicContact NH1-OD2 3.55Å; R225-D234 PolarHBondContact NH1-OD2 2.76Å
226	K	95.6	Very high	93.6	Very high	85 Å²	85	52.9 Å²	52.9	37%	0.37	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	145.3	171.5	-70	-175	176.2	-174	0	110	A215 F216 S228 Q229 L230	A215-K226 CarbonylContact O-C 3.58Å; A215-K226 WeakPolarHBondContact O-CA 3.32Å; F216-K226 HydrophobicContact CD1-CG 4.44Å; F216-K226 HydrophobicContact CE1-CG 4.04Å; K226-S228 VanDerWaalsContact C-N 3.26Å; K226-S228 PolarHBondContact O-N 2.79Å; K226-Q229 HydrophobicContact CB-CB 4.42Å; K226-Q229 HydrophobicContact CB-CG 4.05Å; K226-Q229 WeakPolarHBondContact O-CA 3.49Å; K226-Q229 WeakPolarHBondContact O-CB 3.46Å; K226-Q229 PolarHBondContact O-N 2.95Å; K226-L230 PolarHBondContact O-N 2.96Å
227	L	94.2	Very high	93.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-59.2	-40.9	179.7	-177.8	59.9	0	0	0	111.2	F211 A215 V217 Q229 L230 F253 Y336 P338 I347	F211-L227 HydrophobicContact CB-CD2 3.51Å; F211-L227 HydrophobicContact CD2-CD2 4.27Å; F211-L227 HydrophobicContact CG-CD2 4.27Å; A215-L227 HydrophobicContact CB-CB 4.45Å; A215-L227 WeakPolarHBondContact O-CB 3.34Å; A215-L227 PolarHBondContact O-N 3.49Å; V217-L227 HydrophobicContact CG2-CB 4.49Å; V217-L227 HydrophobicContact CG2-CD1 3.98Å; L227-Q229 PolarHBondContact O-N 3.3Å; L227-Q229 VanDerWaalsContact O-N 3.07Å; L227-L230 HydrophobicContact CD1-CD1 3.8Å; L227-L230 HydrophobicContact CD1-CG 4.44Å; L227-L230 PolarHBondContact O-N 3.33Å; L227-F253 HydrophobicContact CD1-CE1 3.92Å; L227-F253 HydrophobicContact CD1-CZ 4.27Å; L227-F253 HydrophobicContact CG-CE1 4.15Å; L227-F253 VanDerWaalsContact O-CZ 3.31Å; L227-F253 WeakPolarHBondContact O-CZ 3.46Å; L227-Y336 HydrophobicContact CG-CG 4.49Å; L227-P338 HydrophobicContact CD1-CB 4.11Å; L227-P338 HydrophobicContact CD1-CG 3.93Å; L227-I347 HydrophobicContact CD2-CD1 4.32Å
228	S	92.2	Very high	93.4	Very high	45 Å²	45	49.6 Å²	49.6	32%	0.315	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-60.9	-14.2	174.1	54.1	0	0	0	0	114.9	G213 K226	G213-S228 VanDerWaalsContact O-CB 3.23Å; G213-S228 WeakPolarHBondContact O-CB 3.35Å; G213-S228 PolarHBondContact O-N 3.15Å; G213-S228 PolarHBondContact O-OG 2.67Å; K226-S228 VanDerWaalsContact C-N 3.26Å; K226-S228 PolarHBondContact O-N 2.79Å
229	Q	93.4	Very high	93.3	Very high	104 Å²	104	50.6 Å²	50.6	49%	0.486	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-104.2	-5.3	-178.8	-64.3	172.7	-9.8	0	0	113.2	R225 K226 L227	R225-Q229 WeakPolarHBondContact CD-O 3.18Å; R225-Q229 HydrophobicContact CG-CB 3.71Å; K226-Q229 HydrophobicContact CB-CB 4.42Å; K226-Q229 HydrophobicContact CB-CG 4.05Å; K226-Q229 WeakPolarHBondContact O-CA 3.49Å; K226-Q229 WeakPolarHBondContact O-CB 3.46Å; K226-Q229 PolarHBondContact O-N 2.95Å; L227-Q229 PolarHBondContact O-N 3.3Å; L227-Q229 VanDerWaalsContact O-N 3.07Å
230	L	93.1	Very high	93	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.295	C	S	.	.			trans	-68.9	137.1	177.1	-72.4	-170.1	0	0	0	111.4	V217 M219 R225 K226 L227 D234 V236 M250 F253 I345 M388	V217-L230 HydrophobicContact CB-CD1 4.18Å; V217-L230 HydrophobicContact CB-CD2 4.42Å; V217-L230 HydrophobicContact CG1-CD1 4.13Å; V217-L230 HydrophobicContact CG1-CD2 4.49Å; V217-L230 HydrophobicContact CG2-CD1 3.96Å; M219-L230 HydrophobicContact CE-CD2 3.92Å; M219-L230 HydrophobicContact SD-CD2 3.49Å; M219-L230 WeakPolarHBondContact SD-CD2 3.35Å; R225-L230 HydrophobicContact CB-CD2 4.4Å; K226-L230 PolarHBondContact O-N 2.96Å; L227-L230 HydrophobicContact CD1-CD1 3.8Å; L227-L230 HydrophobicContact CD1-CG 4.44Å; L227-L230 PolarHBondContact O-N 3.33Å; L230-D234 WeakPolarHBondContact CA-OD2 3.34Å; L230-V236 HydrophobicContact CD1-CG1 4.28Å; L230-V236 HydrophobicContact CD2-CG1 4.07Å; L230-M250 HydrophobicContact CB-CG 4.42Å; L230-F253 HydrophobicContact CB-CZ 4.2Å; L230-I345 HydrophobicContact CD1-CD1 4.25Å; L230-M388 WeakPolarHBondContact O-CE 3.36Å
231	K	92.1	Very high	92.3	Very high	130 Å²	130	53.7 Å²	53.7	57%	0.565	32%	0.316	S	S	*	.			trans	-115.5	151.1	-179.5	-62.2	-179	-179.5	-179.4	0	113.2	G233 D234 M250 M388	K231-G233 PolarHBondContact O-N 3.34Å; K231-D234 PolarHBondContact N-OD2 3.41Å; K231-D234 VanDerWaalsContact O-CB 3.26Å; K231-D234 WeakPolarHBondContact O-CB 3.38Å; K231-D234 PolarHBondContact O-N 2.89Å; K231-M250 WeakPolarHBondContact O-CB 3.46Å; K231-M250 WeakPolarHBondContact O-CG 3.14Å; K231-M388 VanDerWaalsContact CA-CE 3.42Å; K231-M388 HydrophobicContact CB-CE 3.96Å; K231-M388 HydrophobicContact CG-CE 3.6Å
232	P	90.7	Very high	91.7	Very high	34 Å²	34	55.5 Å²	55.5	22%	0.221	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	127.3	165.3	-29.9	38.6	0	0	0	111.2	M250 I251 F375 F385	P232-M250 CarbonylContact C-O 3.54Å; P232-M250 WeakPolarHBondContact CA-O 3.43Å; P232-I251 VanDerWaalsContact CB-O 3.26Å; P232-I251 WeakPolarHBondContact CB-O 3.49Å; P232-I251 WeakPolarHBondContact CG-O 3.38Å; P232-F375 HydrophobicContact CB-CE2 4.48Å; P232-F385 HydrophobicContact CB-CB 4.39Å; P232-F385 WeakPolarHBondContact CB-O 3.41Å; P232-F385 VanDerWaalsContact CG-O 3.26Å; P232-F385 WeakPolarHBondContact CG-O 3.34Å
233	G	90.5	Very high	91.5	Very high	39 Å²	39	57 Å²	57	40%	0.402	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-9.9	-175.8	0	0	0	0	0	115.6	K231 M250	K231-G233 PolarHBondContact O-N 3.34Å; G233-M250 PolarHBondContact N-O 3.33Å
234	D	94.6	Very high	91.3	Very high	29 Å²	29	55.5 Å²	55.5	16%	0.155	31%	0.313	C	S	.	.			trans	-61.1	138.6	171.7	-81.8	-22	0	0	0	110.6	M219 R225 L230 K231 N249 M250	M219-D234 HydrophobicContact CE-CB 3.9Å; R225-D234 IonicContact CZ-OD2 3.03Å; R225-D234 IonicContact NH1-OD1 2.99Å; R225-D234 PolarHBondContact NH1-OD1 2.85Å; R225-D234 IonicContact NH1-OD2 3.55Å; R225-D234 PolarHBondContact NH1-OD2 2.76Å; L230-D234 WeakPolarHBondContact CA-OD2 3.34Å; K231-D234 PolarHBondContact N-OD2 3.41Å; K231-D234 VanDerWaalsContact O-CB 3.26Å; K231-D234 WeakPolarHBondContact O-CB 3.38Å; K231-D234 PolarHBondContact O-N 2.89Å; D234-N249 CarbonylContact O-C 3.59Å; D234-N249 WeakPolarHBondContact O-CA 3.33Å; D234-M250 HydrophobicContact CB-CB 4.24Å; D234-M250 PolarHBondContact O-N 3.1Å
235	L	96	Very high	91.2	Very high	82 Å²	82	51.4 Å²	51.4	43%	0.429	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.8	176.1	-73.9	166.4	0	0	0	110.4	A220 A248 N249	A220-L235 HydrophobicContact CB-CB 3.58Å; A220-L235 WeakPolarHBondContact CB-O 3.46Å; A220-L235 PolarHBondContact N-O 3.17Å; L235-A248 WeakPolarHBondContact CA-O 3.42Å; L235-N249 WeakPolarHBondContact CD2-OD1 3.35Å
236	V	96	Very high	91.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	153.1	179.8	-60.9	0	0	0	0	110.9	V217 M219 L230 V238 T247 A248 T340	V217-V236 HydrophobicContact CG1-CB 4.01Å; V217-V236 HydrophobicContact CG1-CG1 3.72Å; M219-V236 HydrophobicContact CE-CG1 4.38Å; M219-V236 HydrophobicContact SD-CG1 4.09Å; L230-V236 HydrophobicContact CD1-CG1 4.28Å; L230-V236 HydrophobicContact CD2-CG1 4.07Å; V236-V238 HydrophobicContact CG2-CG1 4.1Å; V236-T247 CarbonylContact O-C 3.57Å; V236-T247 VanDerWaalsContact O-CA 3.3Å; V236-T247 WeakPolarHBondContact O-CA 3.33Å; V236-A248 PolarHBondContact N-O 3.3Å; V236-A248 PolarHBondContact O-N 3.2Å; V236-T340 HydrophobicContact CG2-CG2 3.88Å
237	I	94.8	Very high	91	Very high	31 Å²	31	50.9 Å²	50.9	16%	0.159	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.2	175.8	-60.3	178.3	0	0	0	109.5	A218 M219 L245 T246 M309	A218-I237 HydrophobicContact CB-CB 4.28Å; A218-I237 HydrophobicContact CB-CD1 4.14Å; A218-I237 HydrophobicContact CB-CG1 4.45Å; A218-I237 PolarHBondContact O-N 2.94Å; M219-I237 WeakPolarHBondContact O-CD1 3.45Å; I237-L245 HydrophobicContact CG2-CB 3.98Å; I237-L245 HydrophobicContact CG2-CD1 4.13Å; I237-L245 HydrophobicContact CG2-CD2 4.2Å; I237-L245 HydrophobicContact CG2-CG 4.34Å; I237-T246 WeakPolarHBondContact CA-O 3.47Å; I237-M309 HydrophobicContact CB-CE 4.29Å; I237-M309 HydrophobicContact CD1-CE 3.96Å; I237-M309 HydrophobicContact CG2-CE 3.76Å; I237-M309 HydrophobicContact CG2-SD 4.1Å
238	V	93.7	Very high	91	Very high	0 Å²	0	51 Å²	51	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	160.6	-178.6	-63.2	0	0	0	0	110.7	V236 L245 T246 A248 T342 T344	V236-V238 HydrophobicContact CG2-CG1 4.1Å; V238-L245 WeakPolarHBondContact O-CA 3.25Å; V238-T246 HydrophobicContact CG2-CG2 3.67Å; V238-T246 PolarHBondContact N-O 2.96Å; V238-T246 PolarHBondContact O-N 3.1Å; V238-A248 HydrophobicContact CB-CB 4.31Å; V238-A248 HydrophobicContact CG1-CB 3.76Å; V238-A248 HydrophobicContact CG2-CB 3.59Å; V238-T342 HydrophobicContact CG2-CG2 4.19Å; V238-T344 WeakPolarHBondContact CG1-O 3.49Å
239	P	91.6	Very high	91.1	Very high	26 Å²	26	51.8 Å²	51.8	17%	0.169	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	146.8	176.6	29.9	-39.1	0	0	0	112.1	F318 T344 F346 L351	P239-F318 HydrophobicContact CB-CD1 3.89Å; P239-F318 HydrophobicContact CB-CE1 3.46Å; P239-F318 VanDerWaalsContact CB-CE1 3.46Å; P239-F318 HydrophobicContact CB-CZ 4.11Å; P239-T344 WeakPolarHBondContact CD-OG1 3.37Å; P239-F346 HydrophobicContact CB-CE2 4.49Å; P239-L351 HydrophobicContact CB-CD1 4.4Å; P239-L351 HydrophobicContact CB-CD2 4.39Å; P239-L351 HydrophobicContact CG-CD1 3.62Å; P239-L351 HydrophobicContact CG-CD2 4.21Å
240	A	88.6	Confident	91.1	Very high	36 Å²	36	46.9 Å²	46.9	30%	0.298	29%	0.289	S	S	.	.			trans	-104.5	166.5	165.8	0	0	0	0	0	110.3	N242 G244 T246	A240-N242 VanDerWaalsContact C-N 3.25Å; A240-N242 PolarHBondContact O-N 3.19Å; A240-N242 VanDerWaalsContact O-N 3.14Å; A240-G244 PolarHBondContact N-O 3.21Å; A240-T246 HydrophobicContact CB-CG2 4.2Å
241	G	78.4	Confident	91	Very high	79 Å²	79	46.9 Å²	46.9	81%	0.814	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-22	-174.1	0	0	0	0	0	116.4
242	N	78.7	Confident	91	Very high	154 Å²	154	40.8 Å²	40.8	82%	0.824	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	42.9	-173.8	-63.4	-9.5	0	0	0	112.8	A240 G244	A240-N242 VanDerWaalsContact C-N 3.25Å; A240-N242 PolarHBondContact O-N 3.19Å; A240-N242 VanDerWaalsContact O-N 3.14Å; N242-G244 PolarHBondContact O-N 3.2Å
243	N	83.6	Confident	91	Very high	88 Å²	88	39.2 Å²	39.2	47%	0.471	25%	0.252	S	S	.	.	S	Bend	trans	57.8	1.9	-169.6	-63.6	-10	0	0	0	115.4	Q317 F318	N243-Q317 CarbonylContact O-C 3.5Å; N243-Q317 WeakPolarHBondContact O-CA 3.35Å; N243-Q317 WeakPolarHBondContact O-CB 3.47Å; N243-F318 VanDerWaalsContact C-CE1 3.47Å; N243-F318 HydrophobicContact CB-CE1 4.37Å; N243-F318 HydrophobicContact CB-CZ 4.38Å; N243-F318 WeakPolarHBondContact O-CD1 3.35Å; N243-F318 PolarHBondContact O-N 3.4Å
244	G	90.3	Very high	90.9	Very high	16 Å²	16	37.4 Å²	37.4	17%	0.165	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-76.9	178.7	178.4	0	0	0	0	0	112.2	A240 N242 S316	A240-G244 PolarHBondContact N-O 3.21Å; N242-G244 PolarHBondContact O-N 3.2Å; G244-S316 CarbonylContact C-O 3.56Å; G244-S316 WeakPolarHBondContact CA-O 3.13Å
245	L	92	Very high	90.5	Very high	36 Å²	36	36.5 Å²	36.5	19%	0.188	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.6	175.3	-60.3	175.5	0	0	0	109.8	I237 V238 M309 S316 F318 F346	I237-L245 HydrophobicContact CG2-CB 3.98Å; I237-L245 HydrophobicContact CG2-CD1 4.13Å; I237-L245 HydrophobicContact CG2-CD2 4.2Å; I237-L245 HydrophobicContact CG2-CG 4.34Å; V238-L245 WeakPolarHBondContact O-CA 3.25Å; L245-M309 HydrophobicContact CD1-CB 4.2Å; L245-M309 HydrophobicContact CD1-CE 3.92Å; L245-M309 HydrophobicContact CD1-CG 4.12Å; L245-M309 HydrophobicContact CD2-CG 4.24Å; L245-S316 WeakPolarHBondContact CG-O 3.27Å; L245-S316 PolarHBondContact N-O 3.33Å; L245-F318 HydrophobicContact CD2-CB 4.35Å; L245-F318 HydrophobicContact CD2-CD1 4.14Å; L245-F346 HydrophobicContact CD2-CE2 3.52Å; L245-F346 HydrophobicContact CD2-CZ 3.72Å
246	T	92.6	Very high	90	Very high	68 Å²	68	32.9 Å²	32.9	42%	0.417	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	-175.7	174	-166.4	0	0	0	0	109.3	I237 V238 A240	I237-T246 WeakPolarHBondContact CA-O 3.47Å; V238-T246 HydrophobicContact CG2-CG2 3.67Å; V238-T246 PolarHBondContact N-O 2.96Å; V238-T246 PolarHBondContact O-N 3.1Å; A240-T246 HydrophobicContact CB-CG2 4.2Å
247	T	94.4	Very high	89.4	Confident	72 Å²	72	33.5 Å²	33.5	44%	0.442	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	146.4	179.3	58.4	0	0	0	0	110.9	A220 V236	A220-T247 HydrophobicContact CB-CG2 3.53Å; V236-T247 CarbonylContact O-C 3.57Å; V236-T247 VanDerWaalsContact O-CA 3.3Å; V236-T247 WeakPolarHBondContact O-CA 3.33Å
248	A	94.2	Very high	88.8	Confident	3 Å²	3	34 Å²	34	3%	0.025	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.9	175.4	0	0	0	0	0	110.7	L235 V236 V238 T341 T342	L235-A248 WeakPolarHBondContact CA-O 3.42Å; V236-A248 PolarHBondContact N-O 3.3Å; V236-A248 PolarHBondContact O-N 3.2Å; V238-A248 HydrophobicContact CB-CB 4.31Å; V238-A248 HydrophobicContact CG1-CB 3.76Å; V238-A248 HydrophobicContact CG2-CB 3.59Å; A248-T341 WeakPolarHBondContact CB-OG1 2.76Å; A248-T342 HydrophobicContact CB-CG2 4.01Å
249	N	93.9	Very high	88	Confident	61 Å²	61	40.8 Å²	40.8	33%	0.326	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	133.9	175	-70.5	-33	0	0	0	110	D234 L235 T340 T341 F375	D234-N249 CarbonylContact O-C 3.59Å; D234-N249 WeakPolarHBondContact O-CA 3.33Å; L235-N249 WeakPolarHBondContact CD2-OD1 3.35Å; N249-T340 VanDerWaalsContact O-CA 3.3Å; N249-T340 WeakPolarHBondContact O-CA 3.42Å; N249-T341 HydrophobicContact CB-CG2 3.97Å; N249-T341 PolarHBondContact O-N 2.78Å; N249-F375 HydrophobicContact CB-CE1 3.8Å; N249-F375 HydrophobicContact CB-CZ 4.3Å
250	M	93.8	Very high	87	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	127.2	158.9	178	57.9	177.4	0	0	108.8	L230 K231 P232 G233 D234 T252 F253 P338 L339	L230-M250 HydrophobicContact CB-CG 4.42Å; K231-M250 WeakPolarHBondContact O-CB 3.46Å; K231-M250 WeakPolarHBondContact O-CG 3.14Å; P232-M250 CarbonylContact C-O 3.54Å; P232-M250 WeakPolarHBondContact CA-O 3.43Å; G233-M250 PolarHBondContact N-O 3.33Å; D234-M250 HydrophobicContact CB-CB 4.24Å; D234-M250 PolarHBondContact O-N 3.1Å; M250-T252 VanDerWaalsContact CE-C 3.43Å; M250-T252 WeakPolarHBondContact CE-O 3.15Å; M250-F253 HydrophobicContact CE-CD1 4.02Å; M250-F253 HydrophobicContact CE-CD2 3.88Å; M250-F253 HydrophobicContact CE-CE1 3.81Å; M250-F253 HydrophobicContact CE-CE2 3.67Å; M250-F253 HydrophobicContact CE-CG 4.04Å; M250-F253 HydrophobicContact CE-CZ 3.61Å; M250-P338 HydrophobicContact CE-CB 3.82Å; M250-P338 HydrophobicContact SD-CB 3.94Å; M250-L339 VanDerWaalsContact SD-O 3.41Å
251	I	91.8	Very high	86	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-60.4	-178.9	-63.1	176	0	0	0	109.7	P232 L339 T341 R372 F375 F385	P232-I251 VanDerWaalsContact CB-O 3.26Å; P232-I251 WeakPolarHBondContact CB-O 3.49Å; P232-I251 WeakPolarHBondContact CG-O 3.38Å; I251-L339 HydrophobicContact CB-CD2 4.31Å; I251-L339 HydrophobicContact CB-CG 4.32Å; I251-L339 WeakPolarHBondContact CB-O 3.49Å; I251-L339 HydrophobicContact CD1-CD2 4.28Å; I251-L339 HydrophobicContact CD1-CG 4.24Å; I251-L339 HydrophobicContact CG2-CD2 4.24Å; I251-L339 PolarHBondContact N-O 2.94Å; I251-T341 HydrophobicContact CD1-CG2 3.97Å; I251-T341 HydrophobicContact CG1-CG2 4.09Å; I251-R372 HydrophobicContact CD1-CB 4.14Å; I251-R372 HydrophobicContact CD1-CG 3.69Å; I251-F375 HydrophobicContact CB-CD2 4.29Å; I251-F375 HydrophobicContact CB-CG 4.25Å; I251-F375 HydrophobicContact CD1-CB 4.42Å; I251-F375 HydrophobicContact CD1-CD1 4.42Å; I251-F375 HydrophobicContact CD1-CG 4.49Å; I251-F375 HydrophobicContact CG1-CB 4.3Å; I251-F375 HydrophobicContact CG1-CD1 3.79Å; I251-F375 HydrophobicContact CG1-CD2 4.37Å; I251-F375 HydrophobicContact CG1-CE1 4.17Å; I251-F375 HydrophobicContact CG1-CG 3.89Å; I251-F375 HydrophobicContact CG2-CB 3.81Å; I251-F375 HydrophobicContact CG2-CD2 3.78Å; I251-F375 HydrophobicContact CG2-CG 3.8Å; I251-F385 HydrophobicContact CG2-CD1 4.04Å; I251-F385 HydrophobicContact CG2-CE1 3.76Å; I251-F385 HydrophobicContact CG2-CZ 4.3Å
252	T	91.4	Very high	85.4	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	175.7	-176	-166.5	0	0	0	0	110.1	M250 L339 L371 F385	M250-T252 VanDerWaalsContact CE-C 3.43Å; M250-T252 WeakPolarHBondContact CE-O 3.15Å; T252-L339 HydrophobicContact CG2-CD2 4.49Å; T252-L339 WeakPolarHBondContact O-CB 3.26Å; T252-L339 PolarHBondContact O-N 2.8Å; T252-L371 HydrophobicContact CG2-CD2 4.39Å; T252-F385 HydrophobicContact CG2-CD1 4.34Å; T252-F385 HydrophobicContact CG2-CE1 4.27Å
253	F	91.1	Very high	85	Confident	1 Å²	1	41.3 Å²	41.3	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.1	165.4	-70.5	-79.2	0	0	0	109.9	L227 L230 M250 H255 T256 Y336 A337 P338 M388 H394	L227-F253 HydrophobicContact CD1-CE1 3.92Å; L227-F253 HydrophobicContact CD1-CZ 4.27Å; L227-F253 HydrophobicContact CG-CE1 4.15Å; L227-F253 VanDerWaalsContact O-CZ 3.31Å; L227-F253 WeakPolarHBondContact O-CZ 3.46Å; L230-F253 HydrophobicContact CB-CZ 4.2Å; M250-F253 HydrophobicContact CE-CD1 4.02Å; M250-F253 HydrophobicContact CE-CD2 3.88Å; M250-F253 HydrophobicContact CE-CE1 3.81Å; M250-F253 HydrophobicContact CE-CE2 3.67Å; M250-F253 HydrophobicContact CE-CG 4.04Å; M250-F253 HydrophobicContact CE-CZ 3.61Å; F253-H255 VanDerWaalsContact C-N 3.26Å; F253-T256 WeakPolarHBondContact CB-OG1 3.37Å; F253-Y336 HydrophobicContact CD1-CD1 4.25Å; F253-Y336 AromaticContact CE1-CD1 3.98Å; F253-Y336 HydrophobicContact CE1-CD1 3.98Å; F253-Y336 HydrophobicContact CE1-CG 4.41Å; F253-Y336 HydrophobicContact CZ-CD1 4.16Å; F253-A337 CarbonylContact C-O 3.58Å; F253-A337 VanDerWaalsContact CA-O 3.29Å; F253-A337 WeakPolarHBondContact CA-O 3.26Å; F253-P338 HydrophobicContact CD1-CB 4.27Å; F253-P338 HydrophobicContact CE1-CB 3.96Å; F253-M388 HydrophobicContact CD2-SD 4.25Å; F253-M388 HydrophobicContact CE2-CE 4.36Å; F253-M388 HydrophobicContact CE2-SD 4.11Å; F253-H394 WeakPolarHBondContact O-CB 3.43Å
254	L	88.7	Confident	85.1	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-25.1	171.2	-65.7	177.5	0	0	0	111.6	L208 A337 L339 Y355 M368 L371 I393 H394 A397	L208-L254 HydrophobicContact CD1-CB 4.27Å; L254-A337 HydrophobicContact CB-CB 4.23Å; L254-A337 PolarHBondContact N-O 2.91Å; L254-L339 HydrophobicContact CD2-CD2 4.13Å; L254-L339 HydrophobicContact CG-CB 4.16Å; L254-Y355 HydrophobicContact CD1-CD1 4.45Å; L254-M368 HydrophobicContact CD1-CE 4.09Å; L254-M368 HydrophobicContact CD2-CE 4.23Å; L254-M368 HydrophobicContact CD2-SD 4.11Å; L254-L371 HydrophobicContact CD2-CD2 4.02Å; L254-I393 WeakPolarHBondContact O-CA 3.46Å; L254-H394 PolarHBondContact O-N 3.19Å; L254-A397 HydrophobicContact CD2-CB 4.3Å
255	H	84.8	Confident	84.9	Confident	11 Å²	11	37 Å²	37	5%	0.051	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	136.6	178	174.6	-142.9	0	0	0	110.3	L208 C210 F253 S257 A337 G392 I393	L208-H255 HydrophobicContact CB-CB 3.55Å; L208-H255 HydrophobicContact CD1-CB 3.99Å; L208-H255 HydrophobicContact CG-CB 4.43Å; L208-H255 PolarHBondContact O-ND1 3.4Å; C210-H255 PolarHBondContact SG-ND1 3.38Å; C210-H255 VanDerWaalsContact SG-ND1 3.37Å; F253-H255 VanDerWaalsContact C-N 3.26Å; H255-S257 PolarHBondContact NE2-OG 3Å; H255-A337 HydrophobicContact CB-CB 4.08Å; H255-A337 PolarHBondContact O-N 2.71Å; H255-G392 WeakPolarHBondContact CA-O 3.24Å; H255-G392 PolarHBondContact CD2-O 3.42Å; H255-I393 HydrophobicContact CB-CG1 4.33Å
256	T	85.4	Confident	84.9	Confident	6 Å²	6	35.5 Å²	35.5	4%	0.037	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	120.7	177.3	-51.5	0	0	0	0	109.3	F253 P258 Y335 Y336 P389 E391 G392	F253-T256 WeakPolarHBondContact CB-OG1 3.37Å; T256-P258 HydrophobicContact CG2-CG 4.08Å; T256-Y335 CarbonylContact C-O 3.53Å; T256-Y335 VanDerWaalsContact CA-O 3.23Å; T256-Y335 WeakPolarHBondContact CA-O 3.26Å; T256-Y336 HydrophobicContact CG2-CD1 4.01Å; T256-Y336 HydrophobicContact CG2-CE1 3.69Å; T256-P389 PolarHBondContact OG1-O 3.16Å; T256-E391 CarbonylContact O-C 3.59Å; T256-E391 VanDerWaalsContact O-CA 3.26Å; T256-E391 WeakPolarHBondContact O-CA 3.23Å; T256-G392 PolarHBondContact N-O 3.19Å; T256-G392 PolarHBondContact O-N 3Å
257	S	82.8	Confident	85	Confident	12 Å²	12	32.3 Å²	32.3	8%	0.084	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	88.2	171.3	-66.3	0	0	0	0	109.1	H255 D259 G334 Y335	H255-S257 PolarHBondContact NE2-OG 3Å; S257-D259 PolarHBondContact O-N 3.01Å; S257-G334 CarbonylContact O-C 3.45Å; S257-G334 WeakPolarHBondContact O-CA 3.31Å; S257-Y335 PolarHBondContact N-O 3.27Å; S257-Y335 PolarHBondContact O-N 3.17Å
258	P	82.4	Confident	85.1	Confident	41 Å²	41	33 Å²	33	27%	0.266	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	-35.7	-169.8	-23.8	35.7	0	0	0	114.3	T256 G334	T256-P258 HydrophobicContact CG2-CG 4.08Å; P258-G334 WeakPolarHBondContact O-CA 3.46Å
259	D	77.5	Confident	85.2	Confident	144 Å²	144	32.9 Å²	32.9	77%	0.77	16%	0.162	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	-0	-172.4	-62	-46.2	0	0	0	113.7	S257 R261	S257-D259 PolarHBondContact O-N 3.01Å; D259-R261 PolarHBondContact O-N 3.07Å
260	E	70	Confident	85.3	Confident	63 Å²	63	32.6 Å²	32.6	29%	0.294	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	125	-177.5	-164.3	173.4	178.1	0	0	111	G334 Y335	E260-G334 PolarHBondContact O-N 3.18Å; E260-Y335 HydrophobicContact CB-CD2 3.79Å; E260-Y335 HydrophobicContact CB-CE2 4Å; E260-Y335 HydrophobicContact CG-CD2 3.91Å; E260-Y335 HydrophobicContact CG-CE2 3.67Å
261	R	69	Low	85.3	Confident	194 Å²	194	34.6 Å²	34.6	73%	0.732	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.2	166.7	-69.1	-174.6	-179.7	174.7	0.3	109	D259 T333	D259-R261 PolarHBondContact O-N 3.07Å; R261-T333 HydrophobicContact CG-CG2 4.27Å
262	G	64.6	Low	85.4	Confident	9 Å²	9	40 Å²	40	9%	0.093	21%	0.207	C	C	.	.			trans	-161.5	-166.6	165.1	0	0	0	0	0	113.7	F264 Y335	G262-F264 VanDerWaalsContact O-CD2 3.26Å; G262-F264 WeakPolarHBondContact O-CD2 3.49Å; G262-Y335 VanDerWaalsContact C-OH 3.29Å; G262-Y335 WeakPolarHBondContact CA-OH 3.47Å
263	S	71.7	Confident	85.6	Confident	40 Å²	40	40.5 Å²	40.5	28%	0.28	21%	0.211	S	C	.	.			trans	-83.8	122.7	-166.9	-54.5	0	0	0	0	110.7	E74 L75 P279 Y335	E74-S263 PolarHBondContact O-OG 3.02Å; L75-S263 VanDerWaalsContact CD2-OG 3.25Å; L75-S263 WeakPolarHBondContact CD2-OG 3.32Å; S263-P279 WeakPolarHBondContact O-CD 3.21Å; S263-Y335 PolarHBondContact N-OH 3.3Å
264	F	84.4	Confident	85.8	Confident	1 Å²	1	43.7 Å²	43.7	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	163.3	170.9	-64.2	-92.6	0	0	0	110	P212 G262 I276 V277 S329 A332 G334 Y335	P212-F264 HydrophobicContact CB-CE1 4.39Å; P212-F264 HydrophobicContact CB-CZ 4.32Å; G262-F264 VanDerWaalsContact O-CD2 3.26Å; G262-F264 WeakPolarHBondContact O-CD2 3.49Å; F264-I276 HydrophobicContact CB-CG2 3.68Å; F264-I276 HydrophobicContact CD1-CG2 3.95Å; F264-I276 HydrophobicContact CG-CG2 3.88Å; F264-V277 CarbonylContact C-O 3.57Å; F264-S329 PolarHBondContact N-O 3.41Å; F264-S329 PolarHBondContact O-N 3.13Å; F264-A332 HydrophobicContact CD2-CB 3.78Å; F264-A332 HydrophobicContact CE2-CB 3.83Å; F264-A332 HydrophobicContact CG-CB 4.3Å; F264-A332 HydrophobicContact CZ-CB 4.39Å; F264-G334 WeakPolarHBondContact CZ-O 3.41Å; F264-Y335 HydrophobicContact CD1-CE1 4.47Å; F264-Y335 AromaticContact CE1-CD1 3.82Å; F264-Y335 HydrophobicContact CE1-CD1 3.82Å; F264-Y335 AromaticContact CE1-CE1 3.58Å; F264-Y335 HydrophobicContact CE1-CE1 3.58Å; F264-Y335 HydrophobicContact CE2-CD1 4.47Å; F264-Y335 AromaticContact CE2-CE1 3.82Å; F264-Y335 HydrophobicContact CE2-CE1 3.82Å; F264-Y335 AromaticContact CZ-CD1 3.5Å; F264-Y335 HydrophobicContact CZ-CD1 3.5Å; F264-Y335 VanDerWaalsContact CZ-CD1 3.5Å; F264-Y335 AromaticContact CZ-CE1 3.19Å; F264-Y335 HydrophobicContact CZ-CE1 3.19Å
265	L	86.6	Confident	86.1	Confident	12 Å²	12	43.6 Å²	43.6	6%	0.063	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131	162.6	-62.2	175.8	0	0	0	107.7	I267 I276 V277 P279 A297 E327 N328	L265-I267 HydrophobicContact CB-CG1 4.38Å; L265-I276 WeakPolarHBondContact O-CA 3.18Å; L265-V277 PolarHBondContact N-O 3.21Å; L265-V277 PolarHBondContact O-N 2.89Å; L265-P279 HydrophobicContact CD1-CB 4.12Å; L265-P279 HydrophobicContact CD1-CG 4.36Å; L265-P279 HydrophobicContact CG-CB 4.44Å; L265-P279 HydrophobicContact CG-CG 4.14Å; L265-A297 HydrophobicContact CD1-CB 4.14Å; L265-A297 WeakPolarHBondContact CD1-O 3.26Å; L265-E327 CarbonylContact C-O 3.5Å; L265-E327 VanDerWaalsContact CA-O 3.31Å; L265-E327 WeakPolarHBondContact CA-O 3.28Å; L265-N328 WeakPolarHBondContact CD2-OD1 3.49Å
266	A	92	Very high	86.5	Confident	5 Å²	5	44.5 Å²	44.5	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.1	164.5	0	0	0	0	0	108	V326 E327	A266-V326 WeakPolarHBondContact O-CA 3.26Å; A266-E327 HydrophobicContact CB-CG 3.88Å; A266-E327 PolarHBondContact N-O 3.1Å; A266-E327 PolarHBondContact O-N 2.97Å
267	I	95	Very high	86.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113	179.2	-57.7	171.9	0	0	0	107.5	L265 L269 E274 L275 V277 A297 I300 M306 V323 R325 V326	L265-I267 HydrophobicContact CB-CG1 4.38Å; I267-L269 HydrophobicContact CG2-CD2 4.18Å; I267-E274 WeakPolarHBondContact O-CA 3.24Å; I267-L275 HydrophobicContact CB-CB 4.43Å; I267-L275 PolarHBondContact N-O 3.38Å; I267-L275 PolarHBondContact O-N 3.46Å; I267-V277 HydrophobicContact CD1-CG1 4.09Å; I267-A297 HydrophobicContact CD1-CB 4.46Å; I267-I300 HydrophobicContact CD1-CB 4.19Å; I267-I300 HydrophobicContact CD1-CG1 4.23Å; I267-I300 HydrophobicContact CD1-CG2 4.21Å; I267-I300 HydrophobicContact CG2-CG2 4.24Å; I267-M306 HydrophobicContact CG2-SD 3.89Å; I267-V323 HydrophobicContact CG2-CG1 3.86Å; I267-V323 HydrophobicContact CG2-CG2 4.21Å; I267-R325 WeakPolarHBondContact CA-O 3.49Å; I267-V326 HydrophobicContact CG1-CG1 4.32Å; I267-V326 HydrophobicContact CG1-CG2 4.46Å; I267-V326 HydrophobicContact CG2-CG2 4.42Å
268	R	96.6	Very high	86.8	Confident	87 Å²	87	43.7 Å²	43.7	33%	0.328	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.4	178.8	-164.9	180	178.6	106	1.2	110.3	N272 I324 R325	R268-N272 PolarHBondContact NH2-OD1 3.45Å; R268-I324 HydrophobicContact CB-CG1 4.23Å; R268-I324 HydrophobicContact CG-CD1 4.12Å; R268-I324 HydrophobicContact CG-CG1 4.23Å; R268-I324 WeakPolarHBondContact O-CG1 3.42Å; R268-I324 PolarHBondContact O-N 3.43Å; R268-R325 HydrophobicContact CB-CB 4.09Å; R268-R325 PolarHBondContact N-O 2.92Å; R268-R325 PolarHBondContact O-N 3.28Å
269	L	96.6	Very high	86.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	160.1	178.2	-54.4	-173.8	0	0	0	111.4	I267 D271 N272 S273 M306 T308 V321 A322 V323 V350	I267-L269 HydrophobicContact CG2-CD2 4.18Å; L269-D271 PolarHBondContact O-N 2.89Å; L269-N272 PolarHBondContact O-N 3.41Å; L269-S273 PolarHBondContact N-O 2.66Å; L269-M306 HydrophobicContact CD1-CB 4.05Å; L269-M306 HydrophobicContact CD2-CB 4.03Å; L269-M306 HydrophobicContact CD2-CG 4.2Å; L269-M306 HydrophobicContact CD2-SD 4.14Å; L269-T308 HydrophobicContact CD1-CG2 3.4Å; L269-V321 HydrophobicContact CB-CB 4.49Å; L269-V321 HydrophobicContact CB-CG1 3.84Å; L269-V321 HydrophobicContact CD1-CB 4.45Å; L269-A322 CarbonylContact C-O 3.56Å; L269-A322 WeakPolarHBondContact CA-O 3.45Å; L269-V323 HydrophobicContact CD2-CB 4.29Å; L269-V323 HydrophobicContact CD2-CG2 3.64Å; L269-V350 HydrophobicContact CD1-CG1 4.19Å; L269-V350 HydrophobicContact CD1-CG2 3.71Å
270	A	95.3	Very high	86.7	Confident	56 Å²	56	37.8 Å²	37.8	46%	0.463	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.1	-178.2	0	0	0	0	0	114.1	N272 V321 A322 I324	A270-N272 VanDerWaalsContact C-N 3.28Å; A270-V321 HydrophobicContact CB-CG1 3.94Å; A270-A322 HydrophobicContact CB-CB 4.44Å; A270-A322 PolarHBondContact N-O 3.1Å; A270-I324 HydrophobicContact CB-CG2 3.89Å
271	D	93.3	Very high	87.6	Confident	42 Å²	42	34.8 Å²	34.8	23%	0.225	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	13.4	175.9	71	-5.1	0	0	0	113.8	L269 S273 T308 R319 V321	L269-D271 PolarHBondContact O-N 2.89Å; D271-S273 VanDerWaalsContact CG-OG 3.26Å; D271-S273 PolarHBondContact O-N 3.31Å; D271-S273 WeakPolarHBondContact OD1-CB 3.27Å; D271-S273 PolarHBondContact OD1-N 2.98Å; D271-S273 PolarHBondContact OD1-OG 3.43Å; D271-S273 PolarHBondContact OD2-OG 3.07Å; D271-T308 PolarHBondContact OD2-OG1 2.99Å; D271-R319 IonicContact OD2-NH2 3.51Å; D271-V321 HydrophobicContact CB-CG1 4.02Å
272	N	94.2	Very high	88.5	Confident	112 Å²	112	25.6 Å²	25.6	60%	0.599	14%	0.144	S	C	*	.	S	Bend	trans	68.1	5.2	-174.4	-59.8	-60	0	0	0	115.7	R268 L269 A270	R268-N272 PolarHBondContact NH2-OD1 3.45Å; L269-N272 PolarHBondContact O-N 3.41Å; A270-N272 VanDerWaalsContact C-N 3.28Å
273	S	95	Very high	89.8	Confident	13 Å²	13	25.1 Å²	25.1	9%	0.091	14%	0.14	C	C	.	.			trans	-64.4	137.5	167.1	-49.6	0	0	0	0	109.3	L269 D271	L269-S273 PolarHBondContact N-O 2.66Å; D271-S273 VanDerWaalsContact CG-OG 3.26Å; D271-S273 PolarHBondContact O-N 3.31Å; D271-S273 WeakPolarHBondContact OD1-CB 3.27Å; D271-S273 PolarHBondContact OD1-N 2.98Å; D271-S273 PolarHBondContact OD1-OG 3.43Å; D271-S273 PolarHBondContact OD2-OG 3.07Å
274	E	95.4	Very high	90.8	Very high	68 Å²	68	23.9 Å²	23.9	32%	0.318	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	118.5	179.3	-178.3	172.5	-116	0	0	110	I267 N348	I267-E274 WeakPolarHBondContact O-CA 3.24Å; E274-N348 WeakPolarHBondContact O-CB 3.48Å; E274-N348 PolarHBondContact O-ND2 3.35Å
275	L	95.5	Very high	91.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.4	176.4	-179.3	64.6	0	0	0	109.4	F211 I267 V277 V283 M306 I347 V350 V352	F211-L275 HydrophobicContact CD1-CD1 4.19Å; F211-L275 HydrophobicContact CE1-CD1 3.96Å; I267-L275 HydrophobicContact CB-CB 4.43Å; I267-L275 PolarHBondContact N-O 3.38Å; I267-L275 PolarHBondContact O-N 3.46Å; L275-V277 HydrophobicContact CD1-CB 4.36Å; L275-V277 HydrophobicContact CD2-CB 4.19Å; L275-V277 HydrophobicContact CD2-CG1 3.83Å; L275-V277 HydrophobicContact CG-CB 3.93Å; L275-V277 HydrophobicContact CG-CG1 3.85Å; L275-V283 HydrophobicContact CD2-CG1 4.23Å; L275-M306 HydrophobicContact CD2-CE 3.86Å; L275-I347 HydrophobicContact CD1-CB 4.31Å; L275-I347 HydrophobicContact CD1-CG2 4.2Å; L275-V350 HydrophobicContact CB-CB 4.27Å; L275-V350 HydrophobicContact CB-CG1 4.45Å; L275-V350 HydrophobicContact CB-CG2 4.09Å; L275-V350 HydrophobicContact CD1-CB 4.42Å; L275-V350 HydrophobicContact CD2-CB 4.45Å; L275-V350 HydrophobicContact CD2-CG1 4.06Å; L275-V352 HydrophobicContact CD1-CG1 4.08Å; L275-V352 HydrophobicContact CD2-CG1 3.66Å
276	I	93.5	Very high	91.2	Very high	30 Å²	30	25.5 Å²	25.5	15%	0.154	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	112.3	168.3	-57.7	176.9	0	0	0	107.5	P212 F264 L265 A332	P212-I276 VanDerWaalsContact CD-O 3.24Å; P212-I276 WeakPolarHBondContact CD-O 3.41Å; P212-I276 HydrophobicContact CG-CB 4.09Å; P212-I276 HydrophobicContact CG-CG2 3.92Å; F264-I276 HydrophobicContact CB-CG2 3.68Å; F264-I276 HydrophobicContact CD1-CG2 3.95Å; F264-I276 HydrophobicContact CG-CG2 3.88Å; L265-I276 WeakPolarHBondContact O-CA 3.18Å; I276-A332 HydrophobicContact CG2-CB 3.96Å
277	V	91.3	Very high	90.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	148.4	-171.2	64.3	0	0	0	0	110.1	F211 F264 L265 I267 L275 H281 A297	F211-V277 HydrophobicContact CD1-CB 4.1Å; F211-V277 HydrophobicContact CD1-CG2 3.92Å; F211-V277 HydrophobicContact CE1-CB 3.95Å; F211-V277 HydrophobicContact CE1-CG2 3.47Å; F211-V277 VanDerWaalsContact CE1-CG2 3.47Å; F211-V277 HydrophobicContact CZ-CG2 4.17Å; F264-V277 CarbonylContact C-O 3.57Å; L265-V277 PolarHBondContact N-O 3.21Å; L265-V277 PolarHBondContact O-N 2.89Å; I267-V277 HydrophobicContact CD1-CG1 4.09Å; L275-V277 HydrophobicContact CD1-CB 4.36Å; L275-V277 HydrophobicContact CD2-CB 4.19Å; L275-V277 HydrophobicContact CD2-CG1 3.83Å; L275-V277 HydrophobicContact CG-CB 3.93Å; L275-V277 HydrophobicContact CG-CG1 3.85Å; V277-H281 HydrophobicContact CG2-CB 3.33Å; V277-A297 HydrophobicContact CG1-CB 3.69Å; V277-A297 HydrophobicContact CG2-CB 4.48Å
278	S	83.9	Confident	88.8	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.			trans	-73.6	151.9	176.3	40.6	0	0	0	0	112.7	H209 C210 D280 H281 A297	H209-S278 VanDerWaalsContact CA-OG 3.24Å; H209-S278 WeakPolarHBondContact CA-OG 3.34Å; H209-S278 WeakPolarHBondContact CB-OG 3.47Å; H209-S278 VanDerWaalsContact CD2-CB 3.49Å; H209-S278 WeakPolarHBondContact CD2-CB 3.39Å; H209-S278 PolarHBondContact O-OG 3.31Å; C210-S278 PolarHBondContact N-OG 3.49Å; C210-S278 PolarHBondContact O-N 3.38Å; C210-S278 PolarHBondContact O-OG 3.13Å; S278-D280 VanDerWaalsContact C-N 3.32Å; S278-D280 PolarHBondContact O-N 3.28Å; S278-D280 VanDerWaalsContact O-N 3.17Å; S278-H281 WeakPolarHBondContact O-CB 3.08Å; S278-H281 PolarHBondContact O-N 2.63Å; S278-A297 WeakPolarHBondContact O-CB 3.44Å
279	P	81.6	Confident	87.1	Confident	31 Å²	31	36.6 Å²	36.6	20%	0.201	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.1	-168.6	-24.5	32.6	0	0	0	116.3	S263 L265 A297 S298	S263-P279 WeakPolarHBondContact O-CD 3.21Å; L265-P279 HydrophobicContact CD1-CB 4.12Å; L265-P279 HydrophobicContact CD1-CG 4.36Å; L265-P279 HydrophobicContact CG-CB 4.44Å; L265-P279 HydrophobicContact CG-CG 4.14Å; P279-A297 PolarHBondContact O-N 3.31Å; P279-S298 VanDerWaalsContact O-CB 3.27Å; P279-S298 WeakPolarHBondContact O-CB 3.36Å; P279-S298 PolarHBondContact O-N 3.37Å; P279-S298 PolarHBondContact O-OG 3Å
280	D	76.3	Confident	85.5	Confident	31 Å²	31	41.7 Å²	41.7	17%	0.166	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	15.6	-177.2	-49.8	-40.1	0	0	0	113	H209 S278 F296 G357	H209-D280 IonicContact CE1-OD2 2.76Å; H209-D280 PolarHBondContact CE1-OD2 2.87Å; H209-D280 WeakPolarHBondContact ND1-CB 3.24Å; H209-D280 IonicContact ND1-OD2 3.16Å; H209-D280 PolarHBondContact ND1-OD2 2.87Å; H209-D280 IonicContact NE2-OD2 3.58Å; S278-D280 VanDerWaalsContact C-N 3.32Å; S278-D280 PolarHBondContact O-N 3.28Å; S278-D280 VanDerWaalsContact O-N 3.17Å; D280-F296 HydrophobicContact CB-CD1 4.46Å; D280-F296 VanDerWaalsContact O-CD1 3.24Å; D280-F296 WeakPolarHBondContact O-CD1 3.41Å; D280-F296 WeakPolarHBondContact O-CE1 3.26Å; D280-G357 PolarHBondContact O-N 3.48Å; D280-G357 VanDerWaalsContact O-N 3.1Å
281	H	87	Confident	84.6	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	141.3	171.4	-163.4	86.4	0	0	0	111	H209 F211 V277 S278 F296 A297 S353	H209-H281 PolarHBondContact O-ND1 2.6Å; F211-H281 AromaticContact CE2-CE1 3.26Å; F211-H281 WeakPolarHBondContact CE2-CE1 3.25Å; F211-H281 AromaticContact CE2-ND1 3.83Å; F211-H281 AromaticContact CE2-NE2 3.45Å; F211-H281 WeakPolarHBondContact CE2-NE2 3.44Å; F211-H281 AromaticContact CZ-CD2 3.44Å; F211-H281 VanDerWaalsContact CZ-CD2 3.44Å; F211-H281 WeakPolarHBondContact CZ-CD2 3.49Å; F211-H281 AromaticContact CZ-CE1 3.41Å; F211-H281 VanDerWaalsContact CZ-CE1 3.41Å; F211-H281 WeakPolarHBondContact CZ-CE1 3.36Å; F211-H281 AromaticContact CZ-CG 3.9Å; F211-H281 AromaticContact CZ-ND1 3.86Å; F211-H281 AromaticContact CZ-NE2 3.13Å; F211-H281 WeakPolarHBondContact CZ-NE2 3.36Å; V277-H281 HydrophobicContact CG2-CB 3.33Å; S278-H281 WeakPolarHBondContact O-CB 3.08Å; S278-H281 PolarHBondContact O-N 2.63Å; H281-F296 CarbonylContact O-C 3.45Å; H281-F296 WeakPolarHBondContact O-CA 3.42Å; H281-A297 PolarHBondContact O-N 2.87Å; H281-S353 PolarHBondContact CE1-O 2.95Å; H281-S353 PolarHBondContact NE2-O 3.2Å
282	L	87.9	Confident	84.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	121	-178.8	-164.4	73.6	0	0	0	111.2	T294 V295 F296 S353 Y355 S359 H361	L282-T294 HydrophobicContact CD2-CG2 4.25Å; L282-V295 WeakPolarHBondContact CA-O 3.05Å; L282-F296 HydrophobicContact CD1-CD1 4.49Å; L282-S353 VanDerWaalsContact O-CB 3.27Å; L282-S353 WeakPolarHBondContact O-CB 3.26Å; L282-S353 PolarHBondContact O-N 2.81Å; L282-S353 VanDerWaalsContact O-N 3.12Å; L282-Y355 WeakPolarHBondContact CB-O 3.46Å; L282-Y355 PolarHBondContact N-O 2.75Å; L282-S359 WeakPolarHBondContact CD1-O 3.49Å; L282-H361 HydrophobicContact CD2-CB 3.64Å
283	V	92.1	Very high	83.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	160.8	-179.3	-60.3	0	0	0	0	110.8	L275 T294 V295 A297 I300 M306 V352	L275-V283 HydrophobicContact CD2-CG1 4.23Å; V283-T294 WeakPolarHBondContact O-CA 3.32Å; V283-V295 HydrophobicContact CG2-CG2 4.06Å; V283-V295 WeakPolarHBondContact CG2-O 3.26Å; V283-V295 PolarHBondContact N-O 3Å; V283-V295 PolarHBondContact O-N 3.38Å; V283-A297 HydrophobicContact CG1-CB 4.19Å; V283-I300 HydrophobicContact CG2-CD1 3.76Å; V283-I300 HydrophobicContact CG2-CG1 3.7Å; V283-M306 HydrophobicContact CB-CE 3.75Å; V283-M306 HydrophobicContact CG1-CE 4.2Å; V283-M306 HydrophobicContact CG2-CE 4.14Å; V283-V352 HydrophobicContact CG1-CG1 4.12Å
284	Y	92.9	Very high	83.5	Confident	14 Å²	14	50.1 Å²	50.1	6%	0.055	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.8	178.7	-66.6	-82.1	0	0	0	110.9	M292 E293 T294 T344 L351 H361	Y284-M292 HydrophobicContact CD1-CE 3.79Å; Y284-M292 HydrophobicContact CD1-CG 3.58Å; Y284-M292 HydrophobicContact CD1-SD 3.52Å; Y284-M292 VanDerWaalsContact CD1-SD 3.52Å; Y284-M292 HydrophobicContact CE1-CE 3.87Å; Y284-M292 HydrophobicContact CE1-CG 4.49Å; Y284-M292 HydrophobicContact CE1-SD 4.2Å; Y284-M292 HydrophobicContact CG-CG 4.16Å; Y284-M292 HydrophobicContact CG-SD 3.85Å; Y284-E293 WeakPolarHBondContact CA-O 3.39Å; Y284-T294 HydrophobicContact CD1-CG2 3.63Å; Y284-T294 HydrophobicContact CE1-CG2 3.36Å; Y284-T344 HydrophobicContact CE2-CG2 4.06Å; Y284-T344 WeakPolarHBondContact OH-CG2 3.44Å; Y284-L351 HydrophobicContact CD2-CD1 4.46Å; Y284-L351 HydrophobicContact CD2-CD2 3.98Å; Y284-L351 HydrophobicContact CD2-CG 3.63Å; Y284-L351 HydrophobicContact CE2-CD1 4.4Å; Y284-L351 HydrophobicContact CE2-CD2 4.37Å; Y284-L351 HydrophobicContact CE2-CG 4.02Å; Y284-L351 HydrophobicContact CG-CD2 4.29Å; Y284-L351 HydrophobicContact CG-CG 4.36Å; Y284-H361 PolarHBondContact OH-CE1 3.05Å; Y284-H361 PolarHBondContact OH-ND1 2.83Å
285	R	91.3	Very high	83	Confident	42 Å²	42	47.3 Å²	47.3	16%	0.158	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.8	178.4	178.7	176.7	67.2	-173.4	6	110.7	E293 V295 E299 I300 D304 Q305	R285-E293 HydrophobicContact CB-CG 4.29Å; R285-E293 IonicContact CZ-OE1 3.82Å; R285-E293 PolarHBondContact N-O 3.27Å; R285-E293 IonicContact NE-OE1 2.65Å; R285-E293 PolarHBondContact NE-OE1 3.5Å; R285-E293 IonicContact NH2-OE1 3.04Å; R285-E293 PolarHBondContact NH2-OE1 3.34Å; R285-E293 WeakPolarHBondContact O-CG 3.19Å; R285-E293 PolarHBondContact O-N 3.05Å; R285-V295 HydrophobicContact CB-CG2 3.77Å; R285-E299 PolarHBondContact NH1-O 2.77Å; R285-I300 HydrophobicContact CB-CD1 3.97Å; R285-I300 HydrophobicContact CG-CD1 4.25Å; R285-D304 WeakPolarHBondContact CD-OD2 3.14Å; R285-D304 HydrophobicContact CG-CB 4.05Å; R285-D304 IonicContact NH1-OD2 2.65Å; R285-Q305 CarbonylContact C-O 3.47Å; R285-Q305 WeakPolarHBondContact CA-O 3.12Å
286	S	88.1	Confident	82.5	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.028	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-125.6	119.4	160	161.8	0	0	0	0	108.9	S289 Q305	S286-S289 WeakPolarHBondContact OG-CA 3.29Å; S286-S289 PolarHBondContact OG-N 2.78Å; S286-Q305 PolarHBondContact N-O 3.32Å; S286-Q305 WeakPolarHBondContact O-CB 3.43Å; S286-Q305 PolarHBondContact O-N 3.32Å
287	A	73	Confident	82.2	Confident	60 Å²	60	47.1 Å²	47.1	50%	0.496	25%	0.248	S	C	.	.	S	Bend	trans	-85	-39.3	178.3	0	0	0	0	0	112.3
288	E	65.1	Low	81.7	Confident	169 Å²	169	49 Å²	49	79%	0.79	26%	0.261	S	S	*	.	S	Bend	trans	-140.9	47.6	-174.5	-64.9	-172.9	176	0	0	112.5	T290	E288-T290 VanDerWaalsContact C-N 3.3Å; E288-T290 PolarHBondContact O-N 2.81Å
289	S	60.9	Low	81.6	Confident	97 Å²	97	51.7 Å²	51.7	68%	0.678	27%	0.273	S	S	*	.	S	Bend	trans	67	-18.2	165.8	70.5	0	0	0	0	120.1	S286	S286-S289 WeakPolarHBondContact OG-CA 3.29Å; S286-S289 PolarHBondContact OG-N 2.78Å
290	T	62.8	Low	81.9	Confident	107 Å²	107	50.2 Å²	50.2	66%	0.656	26%	0.264	S	S	*	.	S	Bend	trans	-100.3	-27.5	-172.3	41.6	0	0	0	0	115.6	E288	E288-T290 VanDerWaalsContact C-N 3.3Å; E288-T290 PolarHBondContact O-N 2.81Å
291	Y	74.9	Confident	82.5	Confident	188 Å²	188	55.7 Å²	55.7	74%	0.737	28%	0.282	S	S	*	.			trans	-131.4	128.9	-175.8	-61.3	-78.4	0	0	0	112
292	M	86.8	Confident	82.6	Confident	91 Å²	91	61.4 Å²	61.4	45%	0.448	31%	0.311	S	S	.	.			trans	-80	117.5	168.5	179.7	172.6	75.3	0	0	108.5	Y284 F307 L351	Y284-M292 HydrophobicContact CD1-CE 3.79Å; Y284-M292 HydrophobicContact CD1-CG 3.58Å; Y284-M292 HydrophobicContact CD1-SD 3.52Å; Y284-M292 VanDerWaalsContact CD1-SD 3.52Å; Y284-M292 HydrophobicContact CE1-CE 3.87Å; Y284-M292 HydrophobicContact CE1-CG 4.49Å; Y284-M292 HydrophobicContact CE1-SD 4.2Å; Y284-M292 HydrophobicContact CG-CG 4.16Å; Y284-M292 HydrophobicContact CG-SD 3.85Å; M292-F307 HydrophobicContact CB-CE2 4.02Å; M292-F307 HydrophobicContact CB-CZ 3.85Å; M292-F307 HydrophobicContact CG-CD2 4.25Å; M292-F307 HydrophobicContact CG-CE2 3.56Å; M292-F307 HydrophobicContact CG-CZ 3.92Å; M292-F307 HydrophobicContact SD-CD2 3.99Å; M292-F307 HydrophobicContact SD-CE2 3.84Å; M292-F307 HydrophobicContact SD-CG 4.49Å; M292-F307 HydrophobicContact SD-CZ 4.19Å; M292-L351 HydrophobicContact SD-CD2 4.15Å
293	E	87	Confident	82.6	Confident	80 Å²	80	64 Å²	64	37%	0.374	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	162.8	175.1	62.7	171.9	178.9	0	0	111.3	Y284 R285 V295	Y284-E293 WeakPolarHBondContact CA-O 3.39Å; R285-E293 HydrophobicContact CB-CG 4.29Å; R285-E293 IonicContact CZ-OE1 3.82Å; R285-E293 PolarHBondContact N-O 3.27Å; R285-E293 IonicContact NE-OE1 2.65Å; R285-E293 PolarHBondContact NE-OE1 3.5Å; R285-E293 IonicContact NH2-OE1 3.04Å; R285-E293 PolarHBondContact NH2-OE1 3.34Å; R285-E293 WeakPolarHBondContact O-CG 3.19Å; R285-E293 PolarHBondContact O-N 3.05Å; E293-V295 HydrophobicContact CG-CG1 4.22Å
294	T	87.2	Confident	82.6	Confident	40 Å²	40	65 Å²	65	25%	0.245	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.5	178	59.1	0	0	0	0	110.9	L282 V283 Y284 S359 H361	L282-T294 HydrophobicContact CD2-CG2 4.25Å; V283-T294 WeakPolarHBondContact O-CA 3.32Å; Y284-T294 HydrophobicContact CD1-CG2 3.63Å; Y284-T294 HydrophobicContact CE1-CG2 3.36Å; T294-S359 PolarHBondContact OG1-O 3.37Å; T294-H361 HydrophobicContact CG2-CB 3.86Å
295	V	84.5	Confident	82.7	Confident	10 Å²	10	66.9 Å²	66.9	6%	0.061	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	161.7	-177.3	-61.5	0	0	0	0	110.8	L282 V283 R285 E293 E299 I300	L282-V295 WeakPolarHBondContact CA-O 3.05Å; V283-V295 HydrophobicContact CG2-CG2 4.06Å; V283-V295 WeakPolarHBondContact CG2-O 3.26Å; V283-V295 PolarHBondContact N-O 3Å; V283-V295 PolarHBondContact O-N 3.38Å; R285-V295 HydrophobicContact CB-CG2 3.77Å; E293-V295 HydrophobicContact CG-CG1 4.22Å; V295-E299 HydrophobicContact CB-CB 4.34Å; V295-I300 HydrophobicContact CG2-CD1 3.78Å
296	F	85.3	Confident	82.9	Confident	26 Å²	26	64.9 Å²	64.9	11%	0.114	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	148.6	171.2	-64.6	-55	0	0	0	111.1	D280 H281 L282 S298 E299	D280-F296 HydrophobicContact CB-CD1 4.46Å; D280-F296 VanDerWaalsContact O-CD1 3.24Å; D280-F296 WeakPolarHBondContact O-CD1 3.41Å; D280-F296 WeakPolarHBondContact O-CE1 3.26Å; H281-F296 CarbonylContact O-C 3.45Å; H281-F296 WeakPolarHBondContact O-CA 3.42Å; L282-F296 HydrophobicContact CD1-CD1 4.49Å; F296-S298 PolarHBondContact O-N 3.47Å; F296-S298 VanDerWaalsContact O-N 3.16Å; F296-E299 HydrophobicContact CB-CG 4.35Å; F296-E299 WeakPolarHBondContact CD2-OE1 3.19Å; F296-E299 WeakPolarHBondContact O-CB 3.1Å; F296-E299 PolarHBondContact O-N 2.89Å
297	A	86.2	Confident	83.2	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-56.7	-31.8	177	0	0	0	0	0	112.6	L265 I267 V277 S278 P279 H281 V283 E299 I300	L265-A297 HydrophobicContact CD1-CB 4.14Å; L265-A297 WeakPolarHBondContact CD1-O 3.26Å; I267-A297 HydrophobicContact CD1-CB 4.46Å; V277-A297 HydrophobicContact CG1-CB 3.69Å; V277-A297 HydrophobicContact CG2-CB 4.48Å; S278-A297 WeakPolarHBondContact O-CB 3.44Å; P279-A297 PolarHBondContact O-N 3.31Å; H281-A297 PolarHBondContact O-N 2.87Å; V283-A297 HydrophobicContact CG1-CB 4.19Å; A297-E299 PolarHBondContact O-N 3.08Å; A297-I300 WeakPolarHBondContact O-CB 3.34Å; A297-I300 PolarHBondContact O-N 2.84Å
298	S	81.8	Confident	84.2	Confident	38 Å²	38	62.7 Å²	62.7	27%	0.266	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-65.3	-18.1	174.2	60.2	0	0	0	0	114.7	P279 F296 R301	P279-S298 VanDerWaalsContact O-CB 3.27Å; P279-S298 WeakPolarHBondContact O-CB 3.36Å; P279-S298 PolarHBondContact O-N 3.37Å; P279-S298 PolarHBondContact O-OG 3Å; F296-S298 PolarHBondContact O-N 3.47Å; F296-S298 VanDerWaalsContact O-N 3.16Å; S298-R301 PolarHBondContact O-NH1 3.33Å; S298-R301 PolarHBondContact O-NH2 3.24Å; S298-R301 VanDerWaalsContact O-NH2 3.13Å
299	E	81.5	Confident	85.5	Confident	57 Å²	57	55.4 Å²	55.4	27%	0.266	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-90.8	-9.5	177.5	-62.5	-176.4	-106.2	0	0	112.5	R285 V295 F296 A297 R419	R285-E299 PolarHBondContact NH1-O 2.77Å; V295-E299 HydrophobicContact CB-CB 4.34Å; F296-E299 HydrophobicContact CB-CG 4.35Å; F296-E299 WeakPolarHBondContact CD2-OE1 3.19Å; F296-E299 WeakPolarHBondContact O-CB 3.1Å; F296-E299 PolarHBondContact O-N 2.89Å; A297-E299 PolarHBondContact O-N 3.08Å; E299-R419 IonicContact OE1-NH2 3.64Å; E299-R419 PolarHBondContact OE1-NH2 3.32Å; E299-R419 IonicContact OE2-NH2 3.69Å; E299-R419 PolarHBondContact OE2-NH2 2.98Å
300	I	86.7	Confident	86.6	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.266	C	S	.	.			trans	-68.2	135.7	175.9	-62.3	-62.8	0	0	0	110.8	I267 V283 R285 V295 A297 D304 V323 V326	I267-I300 HydrophobicContact CD1-CB 4.19Å; I267-I300 HydrophobicContact CD1-CG1 4.23Å; I267-I300 HydrophobicContact CD1-CG2 4.21Å; I267-I300 HydrophobicContact CG2-CG2 4.24Å; V283-I300 HydrophobicContact CG2-CD1 3.76Å; V283-I300 HydrophobicContact CG2-CG1 3.7Å; R285-I300 HydrophobicContact CB-CD1 3.97Å; R285-I300 HydrophobicContact CG-CD1 4.25Å; V295-I300 HydrophobicContact CG2-CD1 3.78Å; A297-I300 WeakPolarHBondContact O-CB 3.34Å; A297-I300 PolarHBondContact O-N 2.84Å; I300-D304 WeakPolarHBondContact CA-OD2 3.41Å; I300-V323 HydrophobicContact CG2-CB 4.47Å; I300-V323 HydrophobicContact CG2-CG1 4.05Å; I300-V323 HydrophobicContact CG2-CG2 3.86Å; I300-V326 HydrophobicContact CG2-CG2 4.12Å
301	R	89	Confident	86.9	Confident	146 Å²	146	53.4 Å²	53.4	55%	0.551	27%	0.27	S	S	*	.			trans	-129.4	159.9	178.7	-59.8	-64.5	174.9	-108.3	-1.5	110.9	S298 G303 D304	S298-R301 PolarHBondContact O-NH1 3.33Å; S298-R301 PolarHBondContact O-NH2 3.24Å; S298-R301 VanDerWaalsContact O-NH2 3.13Å; R301-G303 PolarHBondContact O-N 3.46Å; R301-D304 PolarHBondContact N-OD2 2.83Å; R301-D304 VanDerWaalsContact O-CB 3.26Å; R301-D304 WeakPolarHBondContact O-CB 3.36Å; R301-D304 PolarHBondContact O-N 2.72Å
302	I	90.5	Very high	86	Confident	120 Å²	120	52 Å²	52	62%	0.615	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	133.1	170.9	-63.1	172	0	0	0	108.3
303	G	87.9	Confident	84.2	Confident	56 Å²	56	54 Å²	54	58%	0.577	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.1	-22.3	-173.8	0	0	0	0	0	114	R301 V323	R301-G303 PolarHBondContact O-N 3.46Å; G303-V323 PolarHBondContact N-O 2.93Å
304	D	92.2	Very high	82.3	Confident	20 Å²	20	57.8 Å²	57.8	11%	0.107	31%	0.314	C	S	.	.			trans	-63.9	159.7	170.8	-68	-15.8	0	0	0	110.9	R285 I300 R301 A322 V323	R285-D304 WeakPolarHBondContact CD-OD2 3.14Å; R285-D304 HydrophobicContact CG-CB 4.05Å; R285-D304 IonicContact NH1-OD2 2.65Å; I300-D304 WeakPolarHBondContact CA-OD2 3.41Å; R301-D304 PolarHBondContact N-OD2 2.83Å; R301-D304 VanDerWaalsContact O-CB 3.26Å; R301-D304 WeakPolarHBondContact O-CB 3.36Å; R301-D304 PolarHBondContact O-N 2.72Å; D304-A322 CarbonylContact O-C 3.52Å; D304-A322 WeakPolarHBondContact O-CA 3.39Å; D304-V323 HydrophobicContact CB-CG2 4.2Å; D304-V323 WeakPolarHBondContact O-CG2 3.41Å; D304-V323 PolarHBondContact O-N 3.27Å
305	Q	94.1	Very high	80.7	Confident	54 Å²	54	57.6 Å²	57.6	25%	0.252	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.7	170.2	-59.1	-176.5	-42.5	0	0	111.3	R285 S286 P320 V321	R285-Q305 CarbonylContact C-O 3.47Å; R285-Q305 WeakPolarHBondContact CA-O 3.12Å; S286-Q305 PolarHBondContact N-O 3.32Å; S286-Q305 WeakPolarHBondContact O-CB 3.43Å; S286-Q305 PolarHBondContact O-N 3.32Å; Q305-P320 HydrophobicContact CB-CB 4.12Å; Q305-V321 WeakPolarHBondContact CA-O 3.3Å
306	M	95.1	Very high	80.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	169.4	169	-63.7	-168.8	75	0	0	109.8	I267 L269 L275 V283 P320 V321 V323 V350	I267-M306 HydrophobicContact CG2-SD 3.89Å; L269-M306 HydrophobicContact CD1-CB 4.05Å; L269-M306 HydrophobicContact CD2-CB 4.03Å; L269-M306 HydrophobicContact CD2-CG 4.2Å; L269-M306 HydrophobicContact CD2-SD 4.14Å; L275-M306 HydrophobicContact CD2-CE 3.86Å; V283-M306 HydrophobicContact CB-CE 3.75Å; V283-M306 HydrophobicContact CG1-CE 4.2Å; V283-M306 HydrophobicContact CG2-CE 4.14Å; M306-P320 CarbonylContact O-C 3.5Å; M306-P320 VanDerWaalsContact O-CA 3.31Å; M306-P320 WeakPolarHBondContact O-CA 3.49Å; M306-V321 PolarHBondContact N-O 3.45Å; M306-V321 PolarHBondContact O-N 3.07Å; M306-V323 HydrophobicContact CG-CG2 3.82Å; M306-V323 HydrophobicContact SD-CG2 4.21Å; M306-V350 HydrophobicContact CB-CG1 4.31Å; M306-V350 HydrophobicContact CE-CG1 3.71Å; M306-V350 HydrophobicContact SD-CG1 4.34Å
307	F	94	Very high	80.3	Confident	18 Å²	18	65 Å²	65	8%	0.079	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.5	-173.5	-59.7	-92.4	0	0	0	111.6	M292 F318 R319 P320 L351	M292-F307 HydrophobicContact CB-CE2 4.02Å; M292-F307 HydrophobicContact CB-CZ 3.85Å; M292-F307 HydrophobicContact CG-CD2 4.25Å; M292-F307 HydrophobicContact CG-CE2 3.56Å; M292-F307 HydrophobicContact CG-CZ 3.92Å; M292-F307 HydrophobicContact SD-CD2 3.99Å; M292-F307 HydrophobicContact SD-CE2 3.84Å; M292-F307 HydrophobicContact SD-CG 4.49Å; M292-F307 HydrophobicContact SD-CZ 4.19Å; F307-F318 HydrophobicContact CB-CD2 3.98Å; F307-F318 AromaticContact CD1-CD2 3.87Å; F307-F318 HydrophobicContact CD1-CD2 3.87Å; F307-F318 HydrophobicContact CD1-CE2 4.01Å; F307-F318 HydrophobicContact CG-CD2 4.24Å; F307-F318 HydrophobicContact CG-CE2 4.46Å; F307-R319 CarbonylContact C-O 3.54Å; F307-R319 VanDerWaalsContact CA-O 3.3Å; F307-R319 WeakPolarHBondContact CA-O 3.42Å; F307-P320 HydrophobicContact CD1-CB 4.29Å; F307-P320 HydrophobicContact CE1-CB 4.09Å; F307-L351 HydrophobicContact CB-CB 3.98Å; F307-L351 HydrophobicContact CB-CD2 4.19Å; F307-L351 PolarHBondContact O-N 3.42Å
308	T	94.4	Very high	80.6	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	154.9	176.9	70.3	0	0	0	0	112.1	L269 D271 F318 R319 V321 N349 V350	L269-T308 HydrophobicContact CD1-CG2 3.4Å; D271-T308 PolarHBondContact OD2-OG1 2.99Å; T308-F318 CarbonylContact O-C 3.49Å; T308-F318 WeakPolarHBondContact O-CA 3.21Å; T308-F318 WeakPolarHBondContact O-CB 3.38Å; T308-R319 PolarHBondContact N-O 2.89Å; T308-R319 PolarHBondContact O-N 3.3Å; T308-V321 HydrophobicContact CG2-CB 4.3Å; T308-V321 HydrophobicContact CG2-CG2 4.01Å; T308-V321 VanDerWaalsContact OG1-CG2 3.25Å; T308-V321 WeakPolarHBondContact OG1-CG2 3.13Å; T308-N349 WeakPolarHBondContact CA-O 3.44Å; T308-N349 VanDerWaalsContact CB-O 3.3Å; T308-N349 WeakPolarHBondContact CB-O 3.45Å; T308-V350 HydrophobicContact CG2-CG2 4.24Å
309	M	91.9	Very high	81	Confident	16 Å²	16	69 Å²	69	8%	0.079	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	133.7	172.8	-53.1	165.5	42.2	0	0	109.2	A218 I237 L245 F346 N349	A218-M309 HydrophobicContact CB-CE 4.06Å; A218-M309 HydrophobicContact CB-SD 4.09Å; I237-M309 HydrophobicContact CB-CE 4.29Å; I237-M309 HydrophobicContact CD1-CE 3.96Å; I237-M309 HydrophobicContact CG2-CE 3.76Å; I237-M309 HydrophobicContact CG2-SD 4.1Å; L245-M309 HydrophobicContact CD1-CB 4.2Å; L245-M309 HydrophobicContact CD1-CE 3.92Å; L245-M309 HydrophobicContact CD1-CG 4.12Å; L245-M309 HydrophobicContact CD2-CG 4.24Å; M309-F346 HydrophobicContact CG-CB 4.49Å; M309-F346 HydrophobicContact CG-CD1 3.49Å; M309-F346 VanDerWaalsContact CG-CD1 3.49Å; M309-F346 HydrophobicContact CG-CD2 3.88Å; M309-F346 HydrophobicContact CG-CE1 3.46Å; M309-F346 VanDerWaalsContact CG-CE1 3.46Å; M309-F346 HydrophobicContact CG-CE2 3.86Å; M309-F346 HydrophobicContact CG-CG 3.7Å; M309-F346 HydrophobicContact CG-CZ 3.68Å; M309-F346 HydrophobicContact SD-CB 3.8Å; M309-F346 HydrophobicContact SD-CD1 3.95Å; M309-F346 HydrophobicContact SD-CD2 3.66Å; M309-F346 HydrophobicContact SD-CE1 4.43Å; M309-F346 HydrophobicContact SD-CE2 4.18Å; M309-F346 HydrophobicContact SD-CG 3.53Å; M309-F346 VanDerWaalsContact SD-CG 3.53Å; M309-N349 WeakPolarHBondContact CB-OD1 3.33Å; M309-N349 PolarHBondContact N-O 2.98Å; M309-N349 PolarHBondContact N-OD1 3.22Å; M309-N349 PolarHBondContact O-ND2 3.49Å
310	S	84.9	Confident	81.5	Confident	24 Å²	24	69.2 Å²	69.2	17%	0.168	38%	0.38	C	S	.	.			trans	-79.3	122.9	174.6	-178	0	0	0	0	109.6	K312 Q317	S310-K312 PolarHBondContact O-N 3.43Å; S310-K312 PolarHBondContact OG-N 3.23Å; S310-Q317 WeakPolarHBondContact CB-O 3.44Å; S310-Q317 PolarHBondContact N-O 3.15Å
311	N	69.3	Low	81.9	Confident	137 Å²	137	69.6 Å²	69.6	73%	0.733	38%	0.382	S	S	*	.			trans	-79.3	6.5	172.3	-71.9	-18.3	0	0	0	113.2
312	K	55.7	Low	82.2	Confident	158 Å²	158	64.4 Å²	64.4	69%	0.687	37%	0.371	S	S	*	.			trans	-71.8	142	-177.3	-70.8	-173.5	176.3	-176.6	0	110.8	S310 D314	S310-K312 PolarHBondContact O-N 3.43Å; S310-K312 PolarHBondContact OG-N 3.23Å; K312-D314 PolarHBondContact O-N 2.85Å
313	S	48.7	Very low	82.4	Confident	134 Å²	134	58.8 Å²	58.8	94%	0.937	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-10.8	177.8	15.2	0	0	0	0	115.3
314	D	47.6	Very low	82.8	Confident	159 Å²	159	60 Å²	60	85%	0.85	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	26.5	-165.9	-136.6	13.2	0	0	0	114.3	K312	K312-D314 PolarHBondContact O-N 2.85Å
315	G	54.2	Low	82.9	Confident	37 Å²	37	65.4 Å²	65.4	38%	0.381	35%	0.353	S	S	.	.			trans	119.4	136.6	174.9	0	0	0	0	0	113.1	Q317	G315-Q317 VanDerWaalsContact C-N 3.32Å; G315-Q317 PolarHBondContact O-N 3.15Å
316	S	73.5	Confident	82.8	Confident	85 Å²	85	64.9 Å²	64.9	59%	0.594	35%	0.354	S	S	*	.	S	Bend	trans	-66.6	85.4	-179.8	-24.6	0	0	0	0	109.9	G244 L245	G244-S316 CarbonylContact C-O 3.56Å; G244-S316 WeakPolarHBondContact CA-O 3.13Å; L245-S316 WeakPolarHBondContact CG-O 3.27Å; L245-S316 PolarHBondContact N-O 3.33Å
317	Q	88.4	Confident	82.4	Confident	105 Å²	105	68.3 Å²	68.3	49%	0.491	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-120.3	157.2	177.4	-65.3	-177.3	11.7	0	0	111.1	N243 S310 G315	N243-Q317 CarbonylContact O-C 3.5Å; N243-Q317 WeakPolarHBondContact O-CA 3.35Å; N243-Q317 WeakPolarHBondContact O-CB 3.47Å; S310-Q317 WeakPolarHBondContact CB-O 3.44Å; S310-Q317 PolarHBondContact N-O 3.15Å; G315-Q317 VanDerWaalsContact C-N 3.32Å; G315-Q317 PolarHBondContact O-N 3.15Å
318	F	90.7	Very high	81.8	Confident	14 Å²	14	73.4 Å²	73.4	6%	0.061	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	152.2	165.6	66.4	-91.9	0	0	0	111.1	P239 N243 L245 F307 T308 F346	P239-F318 HydrophobicContact CB-CD1 3.89Å; P239-F318 HydrophobicContact CB-CE1 3.46Å; P239-F318 VanDerWaalsContact CB-CE1 3.46Å; P239-F318 HydrophobicContact CB-CZ 4.11Å; N243-F318 VanDerWaalsContact C-CE1 3.47Å; N243-F318 HydrophobicContact CB-CE1 4.37Å; N243-F318 HydrophobicContact CB-CZ 4.38Å; N243-F318 WeakPolarHBondContact O-CD1 3.35Å; N243-F318 PolarHBondContact O-N 3.4Å; L245-F318 HydrophobicContact CD2-CB 4.35Å; L245-F318 HydrophobicContact CD2-CD1 4.14Å; F307-F318 HydrophobicContact CB-CD2 3.98Å; F307-F318 AromaticContact CD1-CD2 3.87Å; F307-F318 HydrophobicContact CD1-CD2 3.87Å; F307-F318 HydrophobicContact CD1-CE2 4.01Å; F307-F318 HydrophobicContact CG-CD2 4.24Å; F307-F318 HydrophobicContact CG-CE2 4.46Å; T308-F318 CarbonylContact O-C 3.49Å; T308-F318 WeakPolarHBondContact O-CA 3.21Å; T308-F318 WeakPolarHBondContact O-CB 3.38Å; F318-F346 HydrophobicContact CB-CE1 4.22Å; F318-F346 HydrophobicContact CB-CZ 3.87Å; F318-F346 HydrophobicContact CD1-CZ 4.44Å; F318-F346 HydrophobicContact CG-CZ 4.3Å
319	R	91.2	Very high	80.9	Confident	108 Å²	108	74.3 Å²	74.3	41%	0.408	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153	-173.5	67.7	-178.1	-176.8	116.5	4.6	111.7	D271 F307 T308 V321	D271-R319 IonicContact OD2-NH2 3.51Å; F307-R319 CarbonylContact C-O 3.54Å; F307-R319 VanDerWaalsContact CA-O 3.3Å; F307-R319 WeakPolarHBondContact CA-O 3.42Å; T308-R319 PolarHBondContact N-O 2.89Å; T308-R319 PolarHBondContact O-N 3.3Å; R319-V321 HydrophobicContact CG-CG2 4.2Å
320	P	92.6	Very high	79.8	Confident	62 Å²	62	78.8 Å²	78.8	40%	0.403	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	141.4	171.6	29.4	-34.1	0	0	0	111.5	Q305 M306 F307	Q305-P320 HydrophobicContact CB-CB 4.12Å; M306-P320 CarbonylContact O-C 3.5Å; M306-P320 VanDerWaalsContact O-CA 3.31Å; M306-P320 WeakPolarHBondContact O-CA 3.49Å; F307-P320 HydrophobicContact CD1-CB 4.29Å; F307-P320 HydrophobicContact CE1-CB 4.09Å
321	V	94	Very high	78.9	Confident	8 Å²	8	81.8 Å²	81.8	5%	0.048	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	133.5	177.9	-176	0	0	0	0	108.8	L269 A270 D271 Q305 M306 T308 R319	L269-V321 HydrophobicContact CB-CB 4.49Å; L269-V321 HydrophobicContact CB-CG1 3.84Å; L269-V321 HydrophobicContact CD1-CB 4.45Å; A270-V321 HydrophobicContact CB-CG1 3.94Å; D271-V321 HydrophobicContact CB-CG1 4.02Å; Q305-V321 WeakPolarHBondContact CA-O 3.3Å; M306-V321 PolarHBondContact N-O 3.45Å; M306-V321 PolarHBondContact O-N 3.07Å; T308-V321 HydrophobicContact CG2-CB 4.3Å; T308-V321 HydrophobicContact CG2-CG2 4.01Å; T308-V321 VanDerWaalsContact OG1-CG2 3.25Å; T308-V321 WeakPolarHBondContact OG1-CG2 3.13Å; R319-V321 HydrophobicContact CG-CG2 4.2Å
322	A	94.9	Very high	79.1	Confident	38 Å²	38	75.6 Å²	75.6	31%	0.314	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	140.8	-177.1	0	0	0	0	0	112.6	L269 A270 D304	L269-A322 CarbonylContact C-O 3.56Å; L269-A322 WeakPolarHBondContact CA-O 3.45Å; A270-A322 HydrophobicContact CB-CB 4.44Å; A270-A322 PolarHBondContact N-O 3.1Å; D304-A322 CarbonylContact O-C 3.52Å; D304-A322 WeakPolarHBondContact O-CA 3.39Å
323	V	96	Very high	80.2	Confident	2 Å²	2	71.4 Å²	71.4	1%	0.012	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	120.5	169.9	178.8	0	0	0	0	108.8	I267 L269 I300 G303 D304 M306 V326	I267-V323 HydrophobicContact CG2-CG1 3.86Å; I267-V323 HydrophobicContact CG2-CG2 4.21Å; L269-V323 HydrophobicContact CD2-CB 4.29Å; L269-V323 HydrophobicContact CD2-CG2 3.64Å; I300-V323 HydrophobicContact CG2-CB 4.47Å; I300-V323 HydrophobicContact CG2-CG1 4.05Å; I300-V323 HydrophobicContact CG2-CG2 3.86Å; G303-V323 PolarHBondContact N-O 2.93Å; D304-V323 HydrophobicContact CB-CG2 4.2Å; D304-V323 WeakPolarHBondContact O-CG2 3.41Å; D304-V323 PolarHBondContact O-N 3.27Å; M306-V323 HydrophobicContact CG-CG2 3.82Å; M306-V323 HydrophobicContact SD-CG2 4.21Å; V323-V326 HydrophobicContact CG1-CG2 3.61Å
324	I	96	Very high	81.7	Confident	82 Å²	82	65 Å²	65	42%	0.421	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-22.1	-178.1	59.5	166.7	0	0	0	112.9	R268 A270	R268-I324 HydrophobicContact CB-CG1 4.23Å; R268-I324 HydrophobicContact CG-CD1 4.12Å; R268-I324 HydrophobicContact CG-CG1 4.23Å; R268-I324 WeakPolarHBondContact O-CG1 3.42Å; R268-I324 PolarHBondContact O-N 3.43Å; A270-I324 HydrophobicContact CB-CG2 3.89Å
325	R	93.8	Very high	83.5	Confident	133 Å²	133	57.7 Å²	57.7	50%	0.502	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	141.6	-179.4	-171.6	178.4	177.2	166.5	-3	110.8	I267 R268 E327	I267-R325 WeakPolarHBondContact CA-O 3.49Å; R268-R325 HydrophobicContact CB-CB 4.09Å; R268-R325 PolarHBondContact N-O 2.92Å; R268-R325 PolarHBondContact O-N 3.28Å; R325-E327 IonicContact CZ-OE1 3.67Å; R325-E327 IonicContact CZ-OE2 3.81Å; R325-E327 IonicContact NE-OE1 3.2Å; R325-E327 IonicContact NE-OE2 2.75Å; R325-E327 PolarHBondContact NE-OE2 3.24Å; R325-E327 IonicContact NH2-OE1 3.58Å; R325-E327 IonicContact NH2-OE2 2.71Å; R325-E327 PolarHBondContact NH2-OE2 3.25Å
326	V	92	Very high	85.2	Confident	43 Å²	43	57.4 Å²	57.4	26%	0.261	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	123.6	172.3	-177.5	0	0	0	0	107.8	A266 I267 I300 V323	A266-V326 WeakPolarHBondContact O-CA 3.26Å; I267-V326 HydrophobicContact CG1-CG1 4.32Å; I267-V326 HydrophobicContact CG1-CG2 4.46Å; I267-V326 HydrophobicContact CG2-CG2 4.42Å; I300-V326 HydrophobicContact CG2-CG2 4.12Å; V323-V326 HydrophobicContact CG1-CG2 3.61Å
327	E	87	Confident	86.1	Confident	72 Å²	72	53.4 Å²	53.4	34%	0.336	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	155.6	179.7	65.5	-171.9	169.3	0	0	112.9	L265 A266 R325	L265-E327 CarbonylContact C-O 3.5Å; L265-E327 VanDerWaalsContact CA-O 3.31Å; L265-E327 WeakPolarHBondContact CA-O 3.28Å; A266-E327 HydrophobicContact CB-CG 3.88Å; A266-E327 PolarHBondContact N-O 3.1Å; A266-E327 PolarHBondContact O-N 2.97Å; R325-E327 IonicContact CZ-OE1 3.67Å; R325-E327 IonicContact CZ-OE2 3.81Å; R325-E327 IonicContact NE-OE1 3.2Å; R325-E327 IonicContact NE-OE2 2.75Å; R325-E327 PolarHBondContact NE-OE2 3.24Å; R325-E327 IonicContact NH2-OE1 3.58Å; R325-E327 IonicContact NH2-OE2 2.71Å; R325-E327 PolarHBondContact NH2-OE2 3.25Å
328	N	80.6	Confident	86.3	Confident	124 Å²	124	48.4 Å²	48.4	66%	0.663	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	129.5	172.2	-67	-32.6	0	0	0	109.4	L265	L265-N328 WeakPolarHBondContact CD2-OD1 3.49Å
329	S	75.3	Confident	86.4	Confident	20 Å²	20	47.8 Å²	47.8	14%	0.14	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.3	175.4	179.9	0	0	0	0	110.5	F264	F264-S329 PolarHBondContact N-O 3.41Å; F264-S329 PolarHBondContact O-N 3.13Å
330	T	70.7	Confident	86.5	Confident	110 Å²	110	42.6 Å²	42.6	68%	0.675	25%	0.245	S	C	*	.			trans	-116.1	6.8	172.7	60.4	0	0	0	0	112
331	A	65.5	Low	86.5	Confident	87 Å²	87	41 Å²	41	72%	0.719	23%	0.234	S	C	*	.			trans	-80.4	-21.6	-174.5	0	0	0	0	0	112.8
332	A	73.5	Confident	86.4	Confident	7 Å²	7	42.9 Å²	42.9	6%	0.058	25%	0.245	C	C	.	.			trans	-84.5	146	-175.3	0	0	0	0	0	112.1	P212 F264 I276	P212-A332 HydrophobicContact CB-CB 3.76Å; P212-A332 HydrophobicContact CG-CB 4.13Å; F264-A332 HydrophobicContact CD2-CB 3.78Å; F264-A332 HydrophobicContact CE2-CB 3.83Å; F264-A332 HydrophobicContact CG-CB 4.3Å; F264-A332 HydrophobicContact CZ-CB 4.39Å; I276-A332 HydrophobicContact CG2-CB 3.96Å
333	T	79.2	Confident	86.3	Confident	70 Å²	70	41.1 Å²	41.1	43%	0.429	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.5	-178.7	53.5	0	0	0	0	111.1	R261	R261-T333 HydrophobicContact CG-CG2 4.27Å
334	G	79.1	Confident	86.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86	151.8	174.1	0	0	0	0	0	113.8	P212 S257 P258 E260 F264	P212-G334 WeakPolarHBondContact CA-O 3.44Å; S257-G334 CarbonylContact O-C 3.45Å; S257-G334 WeakPolarHBondContact O-CA 3.31Å; P258-G334 WeakPolarHBondContact O-CA 3.46Å; E260-G334 PolarHBondContact O-N 3.18Å; F264-G334 WeakPolarHBondContact CZ-O 3.41Å
335	Y	84.9	Confident	86.1	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	117.4	-179.7	-71.3	-58.9	0	0	0	110.3	C210 T256 S257 E260 G262 S263 F264	C210-Y335 VanDerWaalsContact CB-C 3.45Å; C210-Y335 VanDerWaalsContact CB-CA 3.49Å; C210-Y335 HydrophobicContact CB-CD1 3.83Å; C210-Y335 HydrophobicContact CB-CG 4.16Å; C210-Y335 VanDerWaalsContact SG-C 3.56Å; T256-Y335 CarbonylContact C-O 3.53Å; T256-Y335 VanDerWaalsContact CA-O 3.23Å; T256-Y335 WeakPolarHBondContact CA-O 3.26Å; S257-Y335 PolarHBondContact N-O 3.27Å; S257-Y335 PolarHBondContact O-N 3.17Å; E260-Y335 HydrophobicContact CB-CD2 3.79Å; E260-Y335 HydrophobicContact CB-CE2 4Å; E260-Y335 HydrophobicContact CG-CD2 3.91Å; E260-Y335 HydrophobicContact CG-CE2 3.67Å; G262-Y335 VanDerWaalsContact C-OH 3.29Å; G262-Y335 WeakPolarHBondContact CA-OH 3.47Å; S263-Y335 PolarHBondContact N-OH 3.3Å; F264-Y335 HydrophobicContact CD1-CE1 4.47Å; F264-Y335 AromaticContact CE1-CD1 3.82Å; F264-Y335 HydrophobicContact CE1-CD1 3.82Å; F264-Y335 AromaticContact CE1-CE1 3.58Å; F264-Y335 HydrophobicContact CE1-CE1 3.58Å; F264-Y335 HydrophobicContact CE2-CD1 4.47Å; F264-Y335 AromaticContact CE2-CE1 3.82Å; F264-Y335 HydrophobicContact CE2-CE1 3.82Å; F264-Y335 AromaticContact CZ-CD1 3.5Å; F264-Y335 HydrophobicContact CZ-CD1 3.5Å; F264-Y335 VanDerWaalsContact CZ-CD1 3.5Å; F264-Y335 AromaticContact CZ-CE1 3.19Å; F264-Y335 HydrophobicContact CZ-CE1 3.19Å
336	Y	90.6	Very high	86.2	Confident	31 Å²	31	31.3 Å²	31.3	12%	0.122	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119.2	173	-64.8	-100.1	0	0	0	112.7	C210 F211 L227 F253 T256 P338	C210-Y336 WeakPolarHBondContact CB-O 3.45Å; C210-Y336 PolarHBondContact SG-N 3.19Å; C210-Y336 VanDerWaalsContact SG-N 3.43Å; F211-Y336 PolarHBondContact N-O 3.41Å; F211-Y336 VanDerWaalsContact N-O 3.11Å; F211-Y336 PolarHBondContact O-N 3.39Å; L227-Y336 HydrophobicContact CG-CG 4.49Å; F253-Y336 HydrophobicContact CD1-CD1 4.25Å; F253-Y336 AromaticContact CE1-CD1 3.98Å; F253-Y336 HydrophobicContact CE1-CD1 3.98Å; F253-Y336 HydrophobicContact CE1-CG 4.41Å; F253-Y336 HydrophobicContact CZ-CD1 4.16Å; T256-Y336 HydrophobicContact CG2-CD1 4.01Å; T256-Y336 HydrophobicContact CG2-CE1 3.69Å; Y336-P338 WeakPolarHBondContact O-CD 3.48Å
337	A	91.5	Very high	86.4	Confident	2 Å²	2	29.3 Å²	29.3	2%	0.017	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	91	176.9	0	0	0	0	0	109.5	L208 C210 F253 L254 H255	L208-A337 HydrophobicContact CB-CB 4.41Å; C210-A337 WeakPolarHBondContact SG-CB 3.42Å; C210-A337 PolarHBondContact SG-N 2.77Å; F253-A337 CarbonylContact C-O 3.58Å; F253-A337 VanDerWaalsContact CA-O 3.29Å; F253-A337 WeakPolarHBondContact CA-O 3.26Å; L254-A337 HydrophobicContact CB-CB 4.23Å; L254-A337 PolarHBondContact N-O 2.91Å; H255-A337 HydrophobicContact CB-CB 4.08Å; H255-A337 PolarHBondContact O-N 2.71Å
338	P	93.6	Very high	86.8	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	157.3	-178.6	29.1	-34.8	0	0	0	111.4	L227 M250 F253 Y336 I345 I347 N354	L227-P338 HydrophobicContact CD1-CB 4.11Å; L227-P338 HydrophobicContact CD1-CG 3.93Å; M250-P338 HydrophobicContact CE-CB 3.82Å; M250-P338 HydrophobicContact SD-CB 3.94Å; F253-P338 HydrophobicContact CD1-CB 4.27Å; F253-P338 HydrophobicContact CE1-CB 3.96Å; Y336-P338 WeakPolarHBondContact O-CD 3.48Å; P338-I345 HydrophobicContact CB-CD1 4.24Å; P338-I345 HydrophobicContact CG-CD1 4.09Å; P338-I345 HydrophobicContact CG-CG2 4.25Å; P338-I347 HydrophobicContact CG-CD1 4.5Å; P338-N354 VanDerWaalsContact C-ND2 3.27Å; P338-N354 WeakPolarHBondContact O-CB 3.39Å; P338-N354 VanDerWaalsContact O-CG 3.29Å; P338-N354 PolarHBondContact O-ND2 3.39Å
339	L	93	Very high	87.5	Confident	0 Å²	0	23 Å²	23	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	119.4	168.1	178.5	67.4	0	0	0	109.6	M250 I251 T252 L254 N354 Y355 L371	M250-L339 VanDerWaalsContact SD-O 3.41Å; I251-L339 HydrophobicContact CB-CD2 4.31Å; I251-L339 HydrophobicContact CB-CG 4.32Å; I251-L339 WeakPolarHBondContact CB-O 3.49Å; I251-L339 HydrophobicContact CD1-CD2 4.28Å; I251-L339 HydrophobicContact CD1-CG 4.24Å; I251-L339 HydrophobicContact CG2-CD2 4.24Å; I251-L339 PolarHBondContact N-O 2.94Å; T252-L339 HydrophobicContact CG2-CD2 4.49Å; T252-L339 WeakPolarHBondContact O-CB 3.26Å; T252-L339 PolarHBondContact O-N 2.8Å; L254-L339 HydrophobicContact CD2-CD2 4.13Å; L254-L339 HydrophobicContact CG-CB 4.16Å; L339-N354 HydrophobicContact CD1-CB 4.29Å; L339-Y355 HydrophobicContact CD1-CE1 3.72Å; L339-L371 HydrophobicContact CD2-CD2 3.7Å; L339-L371 HydrophobicContact CD2-CG 4.32Å
340	T	93.6	Very high	88.5	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	168.5	170.4	69.7	0	0	0	0	110.9	V236 N249 T342 G343 T344 I345 N354	V236-T340 HydrophobicContact CG2-CG2 3.88Å; N249-T340 VanDerWaalsContact O-CA 3.3Å; N249-T340 WeakPolarHBondContact O-CA 3.42Å; T340-T342 PolarHBondContact O-N 2.91Å; T340-T342 PolarHBondContact OG1-N 3.15Å; T340-T342 PolarHBondContact OG1-OG1 3.43Å; T340-G343 PolarHBondContact O-N 3.43Å; T340-G343 PolarHBondContact OG1-N 2.89Å; T340-G343 VanDerWaalsContact OG1-N 3.16Å; T340-T344 PolarHBondContact OG1-N 2.87Å; T340-T344 PolarHBondContact OG1-O 2.85Å; T340-I345 HydrophobicContact CG2-CB 4.27Å; T340-I345 HydrophobicContact CG2-CD1 4.19Å; T340-I345 HydrophobicContact CG2-CG1 4.47Å; T340-N354 PolarHBondContact N-OD1 3.28Å; T340-N354 VanDerWaalsContact N-OD1 3.15Å; T340-N354 PolarHBondContact OG1-OD1 2.89Å
341	T	92.1	Very high	89.6	Confident	29 Å²	29	16.9 Å²	16.9	18%	0.178	11%	0.107	C	C	.	.	S	Bend	trans	-60.6	-29.6	174.6	51.4	0	0	0	0	113.4	A248 N249 I251 R372	A248-T341 WeakPolarHBondContact CB-OG1 2.76Å; N249-T341 HydrophobicContact CB-CG2 3.97Å; N249-T341 PolarHBondContact O-N 2.78Å; I251-T341 HydrophobicContact CD1-CG2 3.97Å; I251-T341 HydrophobicContact CG1-CG2 4.09Å; T341-R372 PolarHBondContact O-NH1 3.46Å
342	T	91.6	Very high	91	Very high	47 Å²	47	12.8 Å²	12.8	29%	0.288	7%	0.073	S	C	.	.	S	Bend	trans	-90.3	-15	179.5	57.2	0	0	0	0	113.4	V238 A248 T340 T344 H365	V238-T342 HydrophobicContact CG2-CG2 4.19Å; A248-T342 HydrophobicContact CB-CG2 4.01Å; T340-T342 PolarHBondContact O-N 2.91Å; T340-T342 PolarHBondContact OG1-N 3.15Å; T340-T342 PolarHBondContact OG1-OG1 3.43Å; T342-T344 PolarHBondContact O-N 3.11Å; T342-T344 PolarHBondContact OG1-OG1 3.41Å; T342-T344 VanDerWaalsContact OG1-OG1 3.13Å; T342-H365 PolarHBondContact O-CE1 3.25Å; T342-H365 VanDerWaalsContact O-CE1 3.28Å
343	G	92.4	Very high	92	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	76	12.6	-176.7	0	0	0	0	0	113.9	T340 S353 N354 H361	T340-G343 PolarHBondContact O-N 3.43Å; T340-G343 PolarHBondContact OG1-N 2.89Å; T340-G343 VanDerWaalsContact OG1-N 3.16Å; G343-S353 PolarHBondContact O-OG 3.43Å; G343-N354 WeakPolarHBondContact CA-OD1 3.45Å; G343-N354 PolarHBondContact O-N 3.4Å; G343-N354 PolarHBondContact O-OD1 3.41Å; G343-H361 PolarHBondContact O-CE1 3.16Å; G343-H361 VanDerWaalsContact O-CE1 3.31Å
344	T	93.8	Very high	92.6	Very high	11 Å²	11	9.2 Å²	9.2	7%	0.067	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	155.3	176.4	59	0	0	0	0	111.1	V238 P239 Y284 T340 T342 V352 N354	V238-T344 WeakPolarHBondContact CG1-O 3.49Å; P239-T344 WeakPolarHBondContact CD-OG1 3.37Å; Y284-T344 HydrophobicContact CE2-CG2 4.06Å; Y284-T344 WeakPolarHBondContact OH-CG2 3.44Å; T340-T344 PolarHBondContact OG1-N 2.87Å; T340-T344 PolarHBondContact OG1-O 2.85Å; T342-T344 PolarHBondContact O-N 3.11Å; T342-T344 PolarHBondContact OG1-OG1 3.41Å; T342-T344 VanDerWaalsContact OG1-OG1 3.13Å; T344-V352 WeakPolarHBondContact CA-O 3.31Å; T344-N354 PolarHBondContact N-OD1 2.93Å; T344-N354 PolarHBondContact O-OD1 3.16Å
345	I	95.3	Very high	93	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	154.2	177.8	-169.1	166.4	0	0	0	110.2	V217 L230 P338 T340 I347 V352	V217-I345 HydrophobicContact CG1-CD1 3.9Å; V217-I345 HydrophobicContact CG1-CG1 4.07Å; V217-I345 HydrophobicContact CG2-CD1 4.1Å; L230-I345 HydrophobicContact CD1-CD1 4.25Å; P338-I345 HydrophobicContact CB-CD1 4.24Å; P338-I345 HydrophobicContact CG-CD1 4.09Å; P338-I345 HydrophobicContact CG-CG2 4.25Å; T340-I345 HydrophobicContact CG2-CB 4.27Å; T340-I345 HydrophobicContact CG2-CD1 4.19Å; T340-I345 HydrophobicContact CG2-CG1 4.47Å; I345-I347 HydrophobicContact CG1-CG1 4.44Å; I345-I347 HydrophobicContact CG2-CD1 3.93Å; I345-I347 HydrophobicContact CG2-CG1 4.03Å; I345-V352 HydrophobicContact CG2-CG2 3.69Å; I345-V352 PolarHBondContact N-O 3.37Å; I345-V352 VanDerWaalsContact O-CG2 3.27Å; I345-V352 WeakPolarHBondContact O-CG2 3.48Å; I345-V352 PolarHBondContact O-N 2.88Å
346	F	95.5	Very high	92.5	Very high	1 Å²	1	9.8 Å²	9.8	0%	0.004	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.7	167.1	-72.6	-85.1	0	0	0	110.4	P239 L245 M309 F318 V350 L351	P239-F346 HydrophobicContact CB-CE2 4.49Å; L245-F346 HydrophobicContact CD2-CE2 3.52Å; L245-F346 HydrophobicContact CD2-CZ 3.72Å; M309-F346 HydrophobicContact CG-CB 4.49Å; M309-F346 HydrophobicContact CG-CD1 3.49Å; M309-F346 VanDerWaalsContact CG-CD1 3.49Å; M309-F346 HydrophobicContact CG-CD2 3.88Å; M309-F346 HydrophobicContact CG-CE1 3.46Å; M309-F346 VanDerWaalsContact CG-CE1 3.46Å; M309-F346 HydrophobicContact CG-CE2 3.86Å; M309-F346 HydrophobicContact CG-CG 3.7Å; M309-F346 HydrophobicContact CG-CZ 3.68Å; M309-F346 HydrophobicContact SD-CB 3.8Å; M309-F346 HydrophobicContact SD-CD1 3.95Å; M309-F346 HydrophobicContact SD-CD2 3.66Å; M309-F346 HydrophobicContact SD-CE1 4.43Å; M309-F346 HydrophobicContact SD-CE2 4.18Å; M309-F346 HydrophobicContact SD-CG 3.53Å; M309-F346 VanDerWaalsContact SD-CG 3.53Å; F318-F346 HydrophobicContact CB-CE1 4.22Å; F318-F346 HydrophobicContact CB-CZ 3.87Å; F318-F346 HydrophobicContact CD1-CZ 4.44Å; F318-F346 HydrophobicContact CG-CZ 4.3Å; F346-V350 CarbonylContact C-O 3.57Å; F346-V350 WeakPolarHBondContact CA-O 3.11Å; F346-L351 HydrophobicContact CD1-CB 3.94Å; F346-L351 HydrophobicContact CD1-CD1 4.48Å; F346-L351 HydrophobicContact CE1-CB 3.53Å; F346-L351 HydrophobicContact CE1-CD1 4.16Å; F346-L351 HydrophobicContact CE1-CG 4.32Å; F346-L351 HydrophobicContact CE2-CD1 4.22Å; F346-L351 HydrophobicContact CZ-CB 4.13Å; F346-L351 HydrophobicContact CZ-CD1 4Å; F346-L351 HydrophobicContact CZ-CG 4.46Å
347	I	95.7	Very high	91.2	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.2	177.7	-65.6	-179.5	0	0	0	108.8	F211 A215 F216 V217 L227 L275 P338 I345 N349 V350 V352	F211-I347 HydrophobicContact CB-CD1 4.04Å; F211-I347 HydrophobicContact CD1-CB 4.37Å; F211-I347 HydrophobicContact CD1-CD1 3.59Å; F211-I347 HydrophobicContact CD1-CG2 3.97Å; F211-I347 HydrophobicContact CD2-CD1 3.14Å; F211-I347 HydrophobicContact CE1-CB 4.49Å; F211-I347 HydrophobicContact CE1-CD1 3.75Å; F211-I347 HydrophobicContact CE2-CD1 3.31Å; F211-I347 HydrophobicContact CG-CD1 3.27Å; F211-I347 HydrophobicContact CG-CG2 4.29Å; F211-I347 HydrophobicContact CZ-CD1 3.61Å; A215-I347 HydrophobicContact CB-CG2 3.63Å; F216-I347 WeakPolarHBondContact O-CA 3.4Å; V217-I347 HydrophobicContact CG2-CG1 4.21Å; L227-I347 HydrophobicContact CD2-CD1 4.32Å; L275-I347 HydrophobicContact CD1-CB 4.31Å; L275-I347 HydrophobicContact CD1-CG2 4.2Å; P338-I347 HydrophobicContact CG-CD1 4.5Å; I345-I347 HydrophobicContact CG1-CG1 4.44Å; I345-I347 HydrophobicContact CG2-CD1 3.93Å; I345-I347 HydrophobicContact CG2-CG1 4.03Å; I347-N349 PolarHBondContact O-N 3.37Å; I347-V350 PolarHBondContact N-O 3.13Å; I347-V350 PolarHBondContact O-N 3.24Å; I347-V352 HydrophobicContact CB-CG2 4.25Å; I347-V352 HydrophobicContact CD1-CG2 3.96Å; I347-V352 HydrophobicContact CG1-CG2 4.04Å
348	N	95.4	Very high	90	Very high	42 Å²	42	9.7 Å²	9.7	23%	0.225	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	44.8	-169.9	-67.5	-4	0	0	0	111.9	F216 E274 V350	F216-N348 PolarHBondContact N-OD1 2.71Å; F216-N348 PolarHBondContact O-N 3.46Å; E274-N348 WeakPolarHBondContact O-CB 3.48Å; E274-N348 PolarHBondContact O-ND2 3.35Å; N348-V350 PolarHBondContact O-N 2.71Å
349	N	94.4	Very high	88.6	Confident	23 Å²	23	10.7 Å²	10.7	12%	0.123	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	0.4	-177.2	-159.3	39.2	0	0	0	116.2	T308 M309 I347	T308-N349 WeakPolarHBondContact CA-O 3.44Å; T308-N349 VanDerWaalsContact CB-O 3.3Å; T308-N349 WeakPolarHBondContact CB-O 3.45Å; M309-N349 WeakPolarHBondContact CB-OD1 3.33Å; M309-N349 PolarHBondContact N-O 2.98Å; M309-N349 PolarHBondContact N-OD1 3.22Å; M309-N349 PolarHBondContact O-ND2 3.49Å; I347-N349 PolarHBondContact O-N 3.37Å
350	V	96.3	Very high	87.6	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133	-177.9	-172.1	0	0	0	0	111.2	L269 L275 M306 T308 F346 I347 N348	L269-V350 HydrophobicContact CD1-CG1 4.19Å; L269-V350 HydrophobicContact CD1-CG2 3.71Å; L275-V350 HydrophobicContact CB-CB 4.27Å; L275-V350 HydrophobicContact CB-CG1 4.45Å; L275-V350 HydrophobicContact CB-CG2 4.09Å; L275-V350 HydrophobicContact CD1-CB 4.42Å; L275-V350 HydrophobicContact CD2-CB 4.45Å; L275-V350 HydrophobicContact CD2-CG1 4.06Å; M306-V350 HydrophobicContact CB-CG1 4.31Å; M306-V350 HydrophobicContact CE-CG1 3.71Å; M306-V350 HydrophobicContact SD-CG1 4.34Å; T308-V350 HydrophobicContact CG2-CG2 4.24Å; F346-V350 CarbonylContact C-O 3.57Å; F346-V350 WeakPolarHBondContact CA-O 3.11Å; I347-V350 PolarHBondContact N-O 3.13Å; I347-V350 PolarHBondContact O-N 3.24Å; N348-V350 PolarHBondContact O-N 2.71Å
351	L	95.2	Very high	87	Confident	1 Å²	1	13.9 Å²	13.9	1%	0.005	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	126.6	178.1	-179.5	57.3	0	0	0	111.3	P239 Y284 M292 F307 F346	P239-L351 HydrophobicContact CB-CD1 4.4Å; P239-L351 HydrophobicContact CB-CD2 4.39Å; P239-L351 HydrophobicContact CG-CD1 3.62Å; P239-L351 HydrophobicContact CG-CD2 4.21Å; Y284-L351 HydrophobicContact CD2-CD1 4.46Å; Y284-L351 HydrophobicContact CD2-CD2 3.98Å; Y284-L351 HydrophobicContact CD2-CG 3.63Å; Y284-L351 HydrophobicContact CE2-CD1 4.4Å; Y284-L351 HydrophobicContact CE2-CD2 4.37Å; Y284-L351 HydrophobicContact CE2-CG 4.02Å; Y284-L351 HydrophobicContact CG-CD2 4.29Å; Y284-L351 HydrophobicContact CG-CG 4.36Å; M292-L351 HydrophobicContact SD-CD2 4.15Å; F307-L351 HydrophobicContact CB-CB 3.98Å; F307-L351 HydrophobicContact CB-CD2 4.19Å; F307-L351 PolarHBondContact O-N 3.42Å; F346-L351 HydrophobicContact CD1-CB 3.94Å; F346-L351 HydrophobicContact CD1-CD1 4.48Å; F346-L351 HydrophobicContact CE1-CB 3.53Å; F346-L351 HydrophobicContact CE1-CD1 4.16Å; F346-L351 HydrophobicContact CE1-CG 4.32Å; F346-L351 HydrophobicContact CE2-CD1 4.22Å; F346-L351 HydrophobicContact CZ-CB 4.13Å; F346-L351 HydrophobicContact CZ-CD1 4Å; F346-L351 HydrophobicContact CZ-CG 4.46Å
352	V	95	Very high	86.5	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	159.3	179.8	-63.7	0	0	0	0	111.3	F211 L275 V283 T344 I345 I347	F211-V352 HydrophobicContact CE1-CB 4.23Å; F211-V352 HydrophobicContact CE1-CG1 4.09Å; F211-V352 HydrophobicContact CE1-CG2 3.91Å; F211-V352 HydrophobicContact CE2-CG2 4.15Å; F211-V352 HydrophobicContact CZ-CB 3.79Å; F211-V352 HydrophobicContact CZ-CG1 4.17Å; F211-V352 HydrophobicContact CZ-CG2 3.39Å; L275-V352 HydrophobicContact CD1-CG1 4.08Å; L275-V352 HydrophobicContact CD2-CG1 3.66Å; V283-V352 HydrophobicContact CG1-CG1 4.12Å; T344-V352 WeakPolarHBondContact CA-O 3.31Å; I345-V352 HydrophobicContact CG2-CG2 3.69Å; I345-V352 PolarHBondContact N-O 3.37Å; I345-V352 VanDerWaalsContact O-CG2 3.27Å; I345-V352 WeakPolarHBondContact O-CG2 3.48Å; I345-V352 PolarHBondContact O-N 2.88Å; I347-V352 HydrophobicContact CB-CG2 4.25Å; I347-V352 HydrophobicContact CD1-CG2 3.96Å; I347-V352 HydrophobicContact CG1-CG2 4.04Å
353	S	93.3	Very high	86	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	162.9	171.2	-168.3	0	0	0	0	110.5	H281 L282 G343 Y355 H361	H281-S353 PolarHBondContact CE1-O 2.95Å; H281-S353 PolarHBondContact NE2-O 3.2Å; L282-S353 VanDerWaalsContact O-CB 3.27Å; L282-S353 WeakPolarHBondContact O-CB 3.26Å; L282-S353 PolarHBondContact O-N 2.81Å; L282-S353 VanDerWaalsContact O-N 3.12Å; G343-S353 PolarHBondContact O-OG 3.43Å; S353-Y355 VanDerWaalsContact C-N 3.29Å; S353-Y355 WeakPolarHBondContact OG-CD2 3.45Å; S353-Y355 PolarHBondContact OG-N 2.81Å; S353-H361 PolarHBondContact OG-CE1 3.26Å; S353-H361 PolarHBondContact OG-ND1 3.36Å
354	N	92.1	Very high	85.5	Confident	2 Å²	2	19.8 Å²	19.8	1%	0.011	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-10.2	164.1	-72.6	122.2	0	0	0	112.7	P338 L339 T340 G343 T344	P338-N354 VanDerWaalsContact C-ND2 3.27Å; P338-N354 WeakPolarHBondContact O-CB 3.39Å; P338-N354 VanDerWaalsContact O-CG 3.29Å; P338-N354 PolarHBondContact O-ND2 3.39Å; L339-N354 HydrophobicContact CD1-CB 4.29Å; T340-N354 PolarHBondContact N-OD1 3.28Å; T340-N354 VanDerWaalsContact N-OD1 3.15Å; T340-N354 PolarHBondContact OG1-OD1 2.89Å; G343-N354 WeakPolarHBondContact CA-OD1 3.45Å; G343-N354 PolarHBondContact O-N 3.4Å; G343-N354 PolarHBondContact O-OD1 3.41Å; T344-N354 PolarHBondContact N-OD1 2.93Å; T344-N354 PolarHBondContact O-OD1 3.16Å
355	Y	86.9	Confident	85.1	Confident	5 Å²	5	20.8 Å²	20.8	2%	0.02	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145.1	-170.3	-51.2	-53.9	0	0	0	112	L254 L282 L339 S353 H361 A364 H365 M368	L254-Y355 HydrophobicContact CD1-CD1 4.45Å; L282-Y355 WeakPolarHBondContact CB-O 3.46Å; L282-Y355 PolarHBondContact N-O 2.75Å; L339-Y355 HydrophobicContact CD1-CE1 3.72Å; S353-Y355 VanDerWaalsContact C-N 3.29Å; S353-Y355 WeakPolarHBondContact OG-CD2 3.45Å; S353-Y355 PolarHBondContact OG-N 2.81Å; Y355-H361 AromaticContact CD2-CE1 3.93Å; Y355-H361 AromaticContact CD2-ND1 3.69Å; Y355-H361 AromaticContact CE2-CE1 3.8Å; Y355-A364 HydrophobicContact CD1-CB 4.09Å; Y355-A364 HydrophobicContact CD2-CB 3.57Å; Y355-A364 HydrophobicContact CE2-CB 4.27Å; Y355-A364 HydrophobicContact CG-CB 3.48Å; Y355-A364 VanDerWaalsContact CG-CB 3.48Å; Y355-H365 HydrophobicContact CE2-CB 3.71Å; Y355-H365 AromaticContact CE2-ND1 3.77Å; Y355-H365 AromaticContact CZ-ND1 3.77Å; Y355-H365 PolarHBondContact OH-ND1 2.82Å; Y355-M368 HydrophobicContact CD1-CG 4.21Å; Y355-M368 HydrophobicContact CE1-CB 3.9Å; Y355-M368 HydrophobicContact CE1-CG 3.62Å
356	A	75.3	Confident	84.7	Confident	11 Å²	11	25 Å²	25	9%	0.091	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	157.4	177.1	0	0	0	0	0	110.4	H209 I358	H209-A356 HydrophobicContact CB-CB 4.04Å; A356-I358 PolarHBondContact O-N 3.31Å; A356-I358 VanDerWaalsContact O-N 3.13Å
357	G	63.8	Low	84.2	Confident	13 Å²	13	27.2 Å²	27.2	13%	0.134	13%	0.134	C	C	.	.	S	Bend	trans	72.5	-2	175	0	0	0	0	0	116.5	R206 D280	R206-G357 PolarHBondContact NH1-O 3.41Å; D280-G357 PolarHBondContact O-N 3.48Å; D280-G357 VanDerWaalsContact O-N 3.1Å
358	I	65.8	Low	83.9	Confident	19 Å²	19	28.1 Å²	28.1	10%	0.097	14%	0.138	C	C	.	.			trans	-123	123.1	170.5	-59.1	173.6	0	0	0	107.2	A356 N360 L363 A364 I367 M416	A356-I358 PolarHBondContact O-N 3.31Å; A356-I358 VanDerWaalsContact O-N 3.13Å; I358-N360 HydrophobicContact CG2-CB 4.45Å; I358-N360 PolarHBondContact O-N 3.48Å; I358-L363 HydrophobicContact CG2-CD2 4.49Å; I358-A364 HydrophobicContact CB-CB 4.28Å; I358-A364 HydrophobicContact CD1-CB 4.07Å; I358-A364 HydrophobicContact CG2-CB 4.31Å; I358-I367 HydrophobicContact CD1-CD1 4.23Å; I358-M416 HydrophobicContact CD1-CG 4.27Å; I358-M416 HydrophobicContact CD1-SD 4.16Å; I358-M416 HydrophobicContact CG1-CB 4.31Å; I358-M416 HydrophobicContact CG1-CG 3.9Å; I358-M416 HydrophobicContact CG1-SD 3.58Å; I358-M416 VanDerWaalsContact CG1-SD 3.58Å
359	S	64.3	Low	83.5	Confident	20 Å²	20	27.4 Å²	27.4	14%	0.14	14%	0.138	C	C	.	.	S	Bend	trans	-70.7	-17.8	-178.2	43.3	0	0	0	0	113.8	L282 T294 Y418	L282-S359 WeakPolarHBondContact CD1-O 3.49Å; T294-S359 PolarHBondContact OG1-O 3.37Å; S359-Y418 PolarHBondContact OG-O 3.36Å
360	N	71.9	Confident	83.4	Confident	34 Å²	34	29.4 Å²	29.4	18%	0.182	15%	0.152	C	C	.	.			trans	-105.2	106.8	-177.7	-171.6	-41.9	0	0	0	111	I358 W362 L363 A364	I358-N360 HydrophobicContact CG2-CB 4.45Å; I358-N360 PolarHBondContact O-N 3.48Å; N360-W362 VanDerWaalsContact C-N 3.34Å; N360-W362 PolarHBondContact O-N 3.12Å; N360-W362 WeakPolarHBondContact OD1-CA 3.36Å; N360-W362 WeakPolarHBondContact OD1-CB 3.34Å; N360-W362 PolarHBondContact OD1-N 2.92Å; N360-L363 HydrophobicContact CB-CB 4Å; N360-L363 PolarHBondContact O-N 3.3Å; N360-L363 PolarHBondContact OD1-N 3.4Å; N360-A364 PolarHBondContact O-N 3.15Å; N360-A364 VanDerWaalsContact O-N 3.1Å
361	H	81.1	Confident	82.9	Confident	33 Å²	33	29.4 Å²	29.4	15%	0.153	15%	0.152	C	C	.	.	H	α-helix	trans	-56.9	-45.6	177.1	175.9	84.1	0	0	0	112.4	L282 Y284 T294 G343 S353 Y355 L363 A364 H365	L282-H361 HydrophobicContact CD2-CB 3.64Å; Y284-H361 PolarHBondContact OH-CE1 3.05Å; Y284-H361 PolarHBondContact OH-ND1 2.83Å; T294-H361 HydrophobicContact CG2-CB 3.86Å; G343-H361 PolarHBondContact O-CE1 3.16Å; G343-H361 VanDerWaalsContact O-CE1 3.31Å; S353-H361 PolarHBondContact OG-CE1 3.26Å; S353-H361 PolarHBondContact OG-ND1 3.36Å; Y355-H361 AromaticContact CD2-CE1 3.93Å; Y355-H361 AromaticContact CD2-ND1 3.69Å; Y355-H361 AromaticContact CE2-CE1 3.8Å; H361-L363 VanDerWaalsContact C-N 3.34Å; H361-L363 PolarHBondContact O-N 3.5Å; H361-A364 PolarHBondContact O-N 3.49Å; H361-H365 VanDerWaalsContact O-CB 3.28Å; H361-H365 WeakPolarHBondContact O-CB 3.27Å; H361-H365 PolarHBondContact O-N 3.34Å
362	W	81.9	Confident	82.7	Confident	167 Å²	167	31.2 Å²	31.2	63%	0.633	16%	0.159	S	C	*	.	H	α-helix	trans	-60.1	-46	-177.7	177.9	89.4	0	0	0	111	N360 H365 Q366	N360-W362 VanDerWaalsContact C-N 3.34Å; N360-W362 PolarHBondContact O-N 3.12Å; N360-W362 WeakPolarHBondContact OD1-CA 3.36Å; N360-W362 WeakPolarHBondContact OD1-CB 3.34Å; N360-W362 PolarHBondContact OD1-N 2.92Å; W362-H365 WeakPolarHBondContact O-CB 3.42Å; W362-H365 PolarHBondContact O-N 2.89Å; W362-Q366 HydrophobicContact CD2-CG 4.09Å; W362-Q366 HydrophobicContact CE3-CG 4.31Å; W362-Q366 HydrophobicContact CH2-CG 4.1Å; W362-Q366 HydrophobicContact CZ2-CG 3.87Å; W362-Q366 HydrophobicContact CZ3-CG 4.31Å; W362-Q366 WeakPolarHBondContact O-CG 3.24Å; W362-Q366 PolarHBondContact O-N 2.79Å
363	L	79.7	Confident	82.3	Confident	30 Å²	30	36.1 Å²	36.1	16%	0.157	19%	0.185	C	C	.	.	H	α-helix	trans	-62.6	-47.6	178.2	-179.8	60.9	0	0	0	111.6	I358 N360 H361 H365 Q366 I367 P415	I358-L363 HydrophobicContact CG2-CD2 4.49Å; N360-L363 HydrophobicContact CB-CB 4Å; N360-L363 PolarHBondContact O-N 3.3Å; N360-L363 PolarHBondContact OD1-N 3.4Å; H361-L363 VanDerWaalsContact C-N 3.34Å; H361-L363 PolarHBondContact O-N 3.5Å; L363-H365 PolarHBondContact O-N 3.06Å; L363-Q366 PolarHBondContact O-N 3.45Å; L363-I367 HydrophobicContact CD1-CD1 4.12Å; L363-I367 HydrophobicContact CD1-CG1 4.36Å; L363-I367 HydrophobicContact CG-CD1 3.93Å; L363-I367 WeakPolarHBondContact O-CG1 3.36Å; L363-I367 PolarHBondContact O-N 2.89Å; L363-P415 HydrophobicContact CD2-CB 4.14Å; L363-P415 WeakPolarHBondContact CD2-O 3.21Å
364	A	81.7	Confident	82	Confident	3 Å²	3	38.6 Å²	38.6	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-59.5	-38.1	176.7	0	0	0	0	0	111.7	Y355 I358 N360 H361 I367 M368	Y355-A364 HydrophobicContact CD1-CB 4.09Å; Y355-A364 HydrophobicContact CD2-CB 3.57Å; Y355-A364 HydrophobicContact CE2-CB 4.27Å; Y355-A364 HydrophobicContact CG-CB 3.48Å; Y355-A364 VanDerWaalsContact CG-CB 3.48Å; I358-A364 HydrophobicContact CB-CB 4.28Å; I358-A364 HydrophobicContact CD1-CB 4.07Å; I358-A364 HydrophobicContact CG2-CB 4.31Å; N360-A364 PolarHBondContact O-N 3.15Å; N360-A364 VanDerWaalsContact O-N 3.1Å; H361-A364 PolarHBondContact O-N 3.49Å; A364-I367 PolarHBondContact O-N 3.31Å; A364-M368 WeakPolarHBondContact O-CB 3.03Å; A364-M368 WeakPolarHBondContact O-CG 3.31Å; A364-M368 PolarHBondContact O-N 2.94Å
365	H	86.7	Confident	81.7	Confident	33 Å²	33	40 Å²	40	15%	0.153	20%	0.203	C	C	.	.	H	α-helix	trans	-66.1	-38.1	177.1	-165.3	68.7	0	0	0	113.3	T342 Y355 H361 W362 L363 A369 R372	T342-H365 PolarHBondContact O-CE1 3.25Å; T342-H365 VanDerWaalsContact O-CE1 3.28Å; Y355-H365 HydrophobicContact CE2-CB 3.71Å; Y355-H365 AromaticContact CE2-ND1 3.77Å; Y355-H365 AromaticContact CZ-ND1 3.77Å; Y355-H365 PolarHBondContact OH-ND1 2.82Å; H361-H365 VanDerWaalsContact O-CB 3.28Å; H361-H365 WeakPolarHBondContact O-CB 3.27Å; H361-H365 PolarHBondContact O-N 3.34Å; W362-H365 WeakPolarHBondContact O-CB 3.42Å; W362-H365 PolarHBondContact O-N 2.89Å; L363-H365 PolarHBondContact O-N 3.06Å; H365-A369 PolarHBondContact O-N 2.87Å; H365-A369 VanDerWaalsContact O-N 3.16Å; H365-R372 PolarHBondContact CD2-NH2 3.18Å; H365-R372 VanDerWaalsContact CD2-NH2 3.3Å; H365-R372 PolarHBondContact CE1-NH1 3.31Å; H365-R372 VanDerWaalsContact CE1-NH1 3.27Å; H365-R372 PolarHBondContact NE2-NH1 3Å; H365-R372 PolarHBondContact NE2-NH2 3.24Å; H365-R372 VanDerWaalsContact NE2-NH2 3.15Å; H365-R372 PolarHBondContact O-NH2 3.07Å
366	Q	86	Confident	81.6	Confident	87 Å²	87	45.9 Å²	45.9	41%	0.407	23%	0.231	S	C	.	.	H	α-helix	trans	-69.1	-44	173.9	-64.6	-47.1	-43.5	0	0	111.7	W362 L363 M368 A369	W362-Q366 HydrophobicContact CD2-CG 4.09Å; W362-Q366 HydrophobicContact CE3-CG 4.31Å; W362-Q366 HydrophobicContact CH2-CG 4.1Å; W362-Q366 HydrophobicContact CZ2-CG 3.87Å; W362-Q366 HydrophobicContact CZ3-CG 4.31Å; W362-Q366 WeakPolarHBondContact O-CG 3.24Å; W362-Q366 PolarHBondContact O-N 2.79Å; L363-Q366 PolarHBondContact O-N 3.45Å; Q366-M368 PolarHBondContact O-N 2.78Å; Q366-A369 WeakPolarHBondContact O-CB 3.49Å; Q366-A369 PolarHBondContact O-N 2.8Å
367	I	85.4	Confident	82.1	Confident	49 Å²	49	48.5 Å²	48.5	25%	0.251	24%	0.243	S	C	.	.	H	α-helix	trans	-58.8	-37.1	176.8	-71.1	169.3	0	0	0	110.8	I358 L363 A364 A369 P370 Y396 L400	I358-I367 HydrophobicContact CD1-CD1 4.23Å; L363-I367 HydrophobicContact CD1-CD1 4.12Å; L363-I367 HydrophobicContact CD1-CG1 4.36Å; L363-I367 HydrophobicContact CG-CD1 3.93Å; L363-I367 WeakPolarHBondContact O-CG1 3.36Å; L363-I367 PolarHBondContact O-N 2.89Å; A364-I367 PolarHBondContact O-N 3.31Å; I367-A369 VanDerWaalsContact C-N 3.34Å; I367-P370 WeakPolarHBondContact O-CD 3.34Å; I367-Y396 PolarHBondContact O-OH 2.71Å; I367-Y396 VanDerWaalsContact O-OH 3.07Å; I367-L400 HydrophobicContact CG2-CD1 3.4Å; I367-L400 VanDerWaalsContact CG2-CD1 3.4Å; I367-L400 HydrophobicContact CG2-CD2 4.04Å; I367-L400 HydrophobicContact CG2-CG 4.3Å
368	M	88.8	Confident	82.7	Confident	18 Å²	18	53.2 Å²	53.2	9%	0.089	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	1.1	178.4	-64.4	-66.1	177.6	0	0	113.7	L254 Y355 A364 Q366 L371 R372 Y396 A397 L400	L254-M368 HydrophobicContact CD1-CE 4.09Å; L254-M368 HydrophobicContact CD2-CE 4.23Å; L254-M368 HydrophobicContact CD2-SD 4.11Å; Y355-M368 HydrophobicContact CD1-CG 4.21Å; Y355-M368 HydrophobicContact CE1-CB 3.9Å; Y355-M368 HydrophobicContact CE1-CG 3.62Å; A364-M368 WeakPolarHBondContact O-CB 3.03Å; A364-M368 WeakPolarHBondContact O-CG 3.31Å; A364-M368 PolarHBondContact O-N 2.94Å; Q366-M368 PolarHBondContact O-N 2.78Å; M368-L371 PolarHBondContact O-N 2.97Å; M368-R372 WeakPolarHBondContact O-CG 3.48Å; M368-R372 PolarHBondContact O-N 3.28Å; M368-R372 VanDerWaalsContact O-N 3.13Å; M368-Y396 HydrophobicContact SD-CD1 4.06Å; M368-Y396 HydrophobicContact SD-CE1 4Å; M368-A397 HydrophobicContact CE-CB 4.28Å; M368-L400 HydrophobicContact CE-CD1 4.05Å; M368-L400 HydrophobicContact SD-CD1 4.18Å
369	A	88.7	Confident	83.3	Confident	28 Å²	28	59 Å²	59	23%	0.231	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-41.4	-179.6	0	0	0	0	0	113.9	H365 Q366 I367 L371 R372 L373	H365-A369 PolarHBondContact O-N 2.87Å; H365-A369 VanDerWaalsContact O-N 3.16Å; Q366-A369 WeakPolarHBondContact O-CB 3.49Å; Q366-A369 PolarHBondContact O-N 2.8Å; I367-A369 VanDerWaalsContact C-N 3.34Å; A369-L371 VanDerWaalsContact C-N 3.32Å; A369-L371 PolarHBondContact O-N 2.79Å; A369-R372 PolarHBondContact O-N 2.82Å; A369-L373 WeakPolarHBondContact O-CB 3.23Å; A369-L373 PolarHBondContact O-N 2.91Å
370	P	90.5	Very high	83.7	Confident	64 Å²	64	62.3 Å²	62.3	42%	0.416	31%	0.308	S	S	.	.	H	α-helix	trans	-60.6	-40.8	177.6	-26.1	37.4	0	0	0	112.7	I367 L373 L374 Y396	I367-P370 WeakPolarHBondContact O-CD 3.34Å; P370-L373 PolarHBondContact O-N 2.9Å; P370-L374 WeakPolarHBondContact O-CG 3.4Å; P370-L374 PolarHBondContact O-N 3.13Å; P370-Y396 WeakPolarHBondContact CG-OH 3.48Å
371	L	87.3	Confident	83.5	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-40.6	177.4	-170.6	65.8	0	0	0	111.7	T252 L254 L339 M368 A369 L374 F375 F385 Y396	T252-L371 HydrophobicContact CG2-CD2 4.39Å; L254-L371 HydrophobicContact CD2-CD2 4.02Å; L339-L371 HydrophobicContact CD2-CD2 3.7Å; L339-L371 HydrophobicContact CD2-CG 4.32Å; M368-L371 PolarHBondContact O-N 2.97Å; A369-L371 VanDerWaalsContact C-N 3.32Å; A369-L371 PolarHBondContact O-N 2.79Å; L371-L374 PolarHBondContact O-N 3.02Å; L371-F375 PolarHBondContact O-N 2.89Å; L371-F385 HydrophobicContact CD1-CE1 3.71Å; L371-F385 HydrophobicContact CD1-CZ 3.64Å; L371-F385 HydrophobicContact CG-CE1 4.21Å; L371-F385 HydrophobicContact CG-CZ 4.25Å; L371-Y396 HydrophobicContact CB-CD1 3.75Å; L371-Y396 HydrophobicContact CB-CE1 3.9Å; L371-Y396 HydrophobicContact CB-CG 4.38Å; L371-Y396 HydrophobicContact CD1-CD1 4.36Å; L371-Y396 HydrophobicContact CD1-CG 4.27Å; L371-Y396 HydrophobicContact CD2-CD1 3.95Å; L371-Y396 HydrophobicContact CG-CD1 4.24Å
372	R	89.7	Confident	82.7	Confident	39 Å²	39	65.5 Å²	65.5	15%	0.147	32%	0.324	C	S	.	.	H	α-helix	trans	-65.1	-40.2	176	-66.6	-175	-64.9	118.2	-1.1	112.3	I251 T341 H365 M368 A369 F375 Q376	I251-R372 HydrophobicContact CD1-CB 4.14Å; I251-R372 HydrophobicContact CD1-CG 3.69Å; T341-R372 PolarHBondContact O-NH1 3.46Å; H365-R372 PolarHBondContact CD2-NH2 3.18Å; H365-R372 VanDerWaalsContact CD2-NH2 3.3Å; H365-R372 PolarHBondContact CE1-NH1 3.31Å; H365-R372 VanDerWaalsContact CE1-NH1 3.27Å; H365-R372 PolarHBondContact NE2-NH1 3Å; H365-R372 PolarHBondContact NE2-NH2 3.24Å; H365-R372 VanDerWaalsContact NE2-NH2 3.15Å; H365-R372 PolarHBondContact O-NH2 3.07Å; M368-R372 WeakPolarHBondContact O-CG 3.48Å; M368-R372 PolarHBondContact O-N 3.28Å; M368-R372 VanDerWaalsContact O-N 3.13Å; A369-R372 PolarHBondContact O-N 2.82Å; R372-F375 PolarHBondContact O-N 2.74Å; R372-Q376 PolarHBondContact O-N 3.18Å
373	L	87.9	Confident	82.1	Confident	104 Å²	104	62.6 Å²	62.6	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-65.6	-42.5	176.6	-176.9	64.3	0	0	0	111.5	A369 P370 F375 Q376 I377	A369-L373 WeakPolarHBondContact O-CB 3.23Å; A369-L373 PolarHBondContact O-N 2.91Å; P370-L373 PolarHBondContact O-N 2.9Å; L373-F375 VanDerWaalsContact C-N 3.25Å; L373-F375 PolarHBondContact O-N 2.76Å; L373-Q376 PolarHBondContact O-N 2.86Å; L373-Q376 VanDerWaalsContact O-N 3.07Å; L373-I377 PolarHBondContact O-N 2.81Å
374	L	86.9	Confident	81.8	Confident	52 Å²	52	64.3 Å²	64.3	27%	0.272	33%	0.333	S	S	.	.	H	α-helix	trans	-58.2	-37.9	177.1	-76.9	170.9	0	0	0	112.5	P370 L371 Q376 I377 F380 G381 F385	P370-L374 WeakPolarHBondContact O-CG 3.4Å; P370-L374 PolarHBondContact O-N 3.13Å; L371-L374 PolarHBondContact O-N 3.02Å; L374-Q376 VanDerWaalsContact C-N 3.33Å; L374-Q376 PolarHBondContact O-N 2.93Å; L374-I377 PolarHBondContact O-N 2.97Å; L374-F380 HydrophobicContact CD2-CB 4.47Å; L374-F380 HydrophobicContact CD2-CG 4.34Å; L374-G381 PolarHBondContact O-N 2.94Å; L374-F385 HydrophobicContact CB-CE2 4.23Å; L374-F385 HydrophobicContact CB-CZ 4.35Å
375	F	86.1	Confident	81.6	Confident	30 Å²	30	64.3 Å²	64.3	13%	0.132	33%	0.332	C	S	.	.	H	α-helix	trans	-65.6	-35	176.2	-178.4	-98.8	0	0	0	112.9	P232 N249 I251 L371 R372 L373 I377 G381 F385	P232-F375 HydrophobicContact CB-CE2 4.48Å; N249-F375 HydrophobicContact CB-CE1 3.8Å; N249-F375 HydrophobicContact CB-CZ 4.3Å; I251-F375 HydrophobicContact CB-CD2 4.29Å; I251-F375 HydrophobicContact CB-CG 4.25Å; I251-F375 HydrophobicContact CD1-CB 4.42Å; I251-F375 HydrophobicContact CD1-CD1 4.42Å; I251-F375 HydrophobicContact CD1-CG 4.49Å; I251-F375 HydrophobicContact CG1-CB 4.3Å; I251-F375 HydrophobicContact CG1-CD1 3.79Å; I251-F375 HydrophobicContact CG1-CD2 4.37Å; I251-F375 HydrophobicContact CG1-CE1 4.17Å; I251-F375 HydrophobicContact CG1-CG 3.89Å; I251-F375 HydrophobicContact CG2-CB 3.81Å; I251-F375 HydrophobicContact CG2-CD2 3.78Å; I251-F375 HydrophobicContact CG2-CG 3.8Å; L371-F375 PolarHBondContact O-N 2.89Å; R372-F375 PolarHBondContact O-N 2.74Å; L373-F375 VanDerWaalsContact C-N 3.25Å; L373-F375 PolarHBondContact O-N 2.76Å; F375-I377 VanDerWaalsContact C-N 3.29Å; F375-I377 PolarHBondContact O-N 2.85Å; F375-G381 WeakPolarHBondContact O-CA 3.5Å; F375-F385 HydrophobicContact CB-CD2 4.36Å; F375-F385 HydrophobicContact CB-CE2 3.93Å; F375-F385 HydrophobicContact CB-CZ 4.15Å; F375-F385 HydrophobicContact CD2-CB 4.2Å; F375-F385 HydrophobicContact CD2-CD1 4.43Å; F375-F385 AromaticContact CD2-CD2 3.86Å; F375-F385 HydrophobicContact CD2-CD2 3.86Å; F375-F385 HydrophobicContact CD2-CE2 4.28Å; F375-F385 AromaticContact CD2-CG 3.92Å; F375-F385 HydrophobicContact CD2-CG 3.92Å; F375-F385 HydrophobicContact CE2-CB 4.44Å
376	Q	84.1	Confident	80.6	Confident	130 Å²	130	70 Å²	70	61%	0.607	36%	0.357	S	S	*	.	H	α-helix	trans	-73.2	-18.8	179.6	-69.7	-179.9	-22.4	0	0	113.4	R372 L373 L374 P378	R372-Q376 PolarHBondContact O-N 3.18Å; L373-Q376 PolarHBondContact O-N 2.86Å; L373-Q376 VanDerWaalsContact O-N 3.07Å; L374-Q376 VanDerWaalsContact C-N 3.33Å; L374-Q376 PolarHBondContact O-N 2.93Å; Q376-P378 WeakPolarHBondContact O-CD 3.38Å
377	I	85.2	Confident	79.8	Confident	65 Å²	65	73.9 Å²	73.9	33%	0.333	38%	0.375	S	S	.	.	S	Bend	trans	-81.3	115.3	178.5	-59.3	165.7	0	0	0	108.7	L373 L374 F375 F379 F380 G381	L373-I377 PolarHBondContact O-N 2.81Å; L374-I377 PolarHBondContact O-N 2.97Å; F375-I377 VanDerWaalsContact C-N 3.29Å; F375-I377 PolarHBondContact O-N 2.85Å; I377-F379 VanDerWaalsContact C-N 3.29Å; I377-F379 PolarHBondContact O-N 2.94Å; I377-F379 VanDerWaalsContact O-N 3.08Å; I377-F380 HydrophobicContact CB-CB 4.42Å; I377-F380 HydrophobicContact CB-CD2 4.14Å; I377-F380 HydrophobicContact CD1-CD2 4.27Å; I377-F380 HydrophobicContact CG2-CD2 3.72Å; I377-F380 HydrophobicContact CG2-CE2 4.48Å; I377-F380 PolarHBondContact O-N 2.71Å; I377-G381 PolarHBondContact O-N 2.8Å
378	P	77.3	Confident	78.9	Confident	112 Å²	112	74.6 Å²	74.6	73%	0.727	38%	0.378	S	S	*	.	H	α-helix	trans	-53.8	-39.6	-169.5	-28.6	34.7	0	0	0	115	Q376 H382	Q376-P378 WeakPolarHBondContact O-CD 3.38Å; P378-H382 PolarHBondContact O-N 2.65Å
379	F	77.8	Confident	77.9	Confident	142 Å²	142	75.1 Å²	75.1	62%	0.623	38%	0.382	S	S	*	.	H	α-helix	trans	-67.1	-40.1	179.3	-178.5	-97.8	0	0	0	113.1	I377 N383	I377-F379 VanDerWaalsContact C-N 3.29Å; I377-F379 PolarHBondContact O-N 2.94Å; I377-F379 VanDerWaalsContact O-N 3.08Å; F379-N383 PolarHBondContact O-ND2 2.82Å
380	F	72.9	Confident	76.7	Confident	89 Å²	89	79.7 Å²	79.7	39%	0.39	41%	0.407	S	S	.	.	H	α-helix	trans	-85.5	-42.4	-179.3	-70.6	-74.2	0	0	0	111.6	L374 I377 H382 N383 V384	L374-F380 HydrophobicContact CD2-CB 4.47Å; L374-F380 HydrophobicContact CD2-CG 4.34Å; I377-F380 HydrophobicContact CB-CB 4.42Å; I377-F380 HydrophobicContact CB-CD2 4.14Å; I377-F380 HydrophobicContact CD1-CD2 4.27Å; I377-F380 HydrophobicContact CG2-CD2 3.72Å; I377-F380 HydrophobicContact CG2-CE2 4.48Å; I377-F380 PolarHBondContact O-N 2.71Å; F380-H382 VanDerWaalsContact C-N 3.34Å; F380-H382 PolarHBondContact O-N 2.73Å; F380-N383 PolarHBondContact O-N 2.91Å; F380-V384 HydrophobicContact CB-CG2 4.34Å; F380-V384 HydrophobicContact CD1-CG2 4.17Å; F380-V384 VanDerWaalsContact O-CB 3.24Å; F380-V384 WeakPolarHBondContact O-CB 3.31Å; F380-V384 WeakPolarHBondContact O-CG2 3.46Å; F380-V384 PolarHBondContact O-N 2.72Å
381	G	67.8	Low	76.1	Confident	9 Å²	9	83.1 Å²	83.1	9%	0.093	42%	0.418	C	S	.	.	H	α-helix	trans	-50.7	-50.3	178.4	0	0	0	0	0	112.6	L374 F375 I377 F385	L374-G381 PolarHBondContact O-N 2.94Å; F375-G381 WeakPolarHBondContact O-CA 3.5Å; I377-G381 PolarHBondContact O-N 2.8Å; G381-F385 WeakPolarHBondContact O-CB 3.44Å; G381-F385 WeakPolarHBondContact O-CD2 3.37Å; G381-F385 PolarHBondContact O-N 3.03Å
382	H	63.8	Low	75.5	Confident	125 Å²	125	84.3 Å²	84.3	58%	0.579	43%	0.43	S	S	*	.	H	α-helix	trans	-73.3	-38.3	-179.1	-166.3	-49.8	0	0	0	113	P378 F380 K386	P378-H382 PolarHBondContact O-N 2.65Å; F380-H382 VanDerWaalsContact C-N 3.34Å; F380-H382 PolarHBondContact O-N 2.73Å; H382-K386 WeakPolarHBondContact O-CB 3.3Å
383	N	69.3	Low	75	Confident	106 Å²	106	83.9 Å²	83.9	57%	0.567	43%	0.431	S	S	*	.	H	α-helix	trans	-84.8	-37	-172.4	-70.7	-42.5	0	0	0	113.3	F379 F380	F379-N383 PolarHBondContact O-ND2 2.82Å; F380-N383 PolarHBondContact O-N 2.91Å
384	V	73.5	Confident	74.8	Confident	66 Å²	66	79.5 Å²	79.5	40%	0.4	41%	0.407	S	S	.	.	H	α-helix	trans	-82.8	-31.7	-175.4	178.9	0	0	0	0	111.8	F380	F380-V384 HydrophobicContact CB-CG2 4.34Å; F380-V384 HydrophobicContact CD1-CG2 4.17Å; F380-V384 VanDerWaalsContact O-CB 3.24Å; F380-V384 WeakPolarHBondContact O-CB 3.31Å; F380-V384 WeakPolarHBondContact O-CG2 3.46Å; F380-V384 PolarHBondContact O-N 2.72Å
385	F	77.2	Confident	74.5	Confident	3 Å²	3	83.6 Å²	83.6	1%	0.013	42%	0.419	C	S	.	.	S	Bend	trans	-109.4	12.4	-173.5	-56.7	-89.8	0	0	0	113.6	P232 I251 T252 L371 L374 F375 G381 E387	P232-F385 HydrophobicContact CB-CB 4.39Å; P232-F385 WeakPolarHBondContact CB-O 3.41Å; P232-F385 VanDerWaalsContact CG-O 3.26Å; P232-F385 WeakPolarHBondContact CG-O 3.34Å; I251-F385 HydrophobicContact CG2-CD1 4.04Å; I251-F385 HydrophobicContact CG2-CE1 3.76Å; I251-F385 HydrophobicContact CG2-CZ 4.3Å; T252-F385 HydrophobicContact CG2-CD1 4.34Å; T252-F385 HydrophobicContact CG2-CE1 4.27Å; L371-F385 HydrophobicContact CD1-CE1 3.71Å; L371-F385 HydrophobicContact CD1-CZ 3.64Å; L371-F385 HydrophobicContact CG-CE1 4.21Å; L371-F385 HydrophobicContact CG-CZ 4.25Å; L374-F385 HydrophobicContact CB-CE2 4.23Å; L374-F385 HydrophobicContact CB-CZ 4.35Å; F375-F385 HydrophobicContact CB-CD2 4.36Å; F375-F385 HydrophobicContact CB-CE2 3.93Å; F375-F385 HydrophobicContact CB-CZ 4.15Å; F375-F385 HydrophobicContact CD2-CB 4.2Å; F375-F385 HydrophobicContact CD2-CD1 4.43Å; F375-F385 AromaticContact CD2-CD2 3.86Å; F375-F385 HydrophobicContact CD2-CD2 3.86Å; F375-F385 HydrophobicContact CD2-CE2 4.28Å; F375-F385 AromaticContact CD2-CG 3.92Å; F375-F385 HydrophobicContact CD2-CG 3.92Å; F375-F385 HydrophobicContact CE2-CB 4.44Å; G381-F385 WeakPolarHBondContact O-CB 3.44Å; G381-F385 WeakPolarHBondContact O-CD2 3.37Å; G381-F385 PolarHBondContact O-N 3.03Å; F385-E387 VanDerWaalsContact C-N 3.3Å; F385-E387 PolarHBondContact O-N 2.96Å
386	K	67.5	Low	74.4	Confident	153 Å²	153	83.6 Å²	83.6	67%	0.665	42%	0.418	S	S	*	.	S	Bend	trans	-63.9	-37.8	179.2	-159.8	177.5	177.2	-176.7	0	112.4	H382	H382-K386 WeakPolarHBondContact O-CB 3.3Å
387	E	67.6	Low	74.2	Confident	168 Å²	168	77.5 Å²	77.5	79%	0.785	39%	0.39	S	S	*	.	S	Bend	trans	-102.4	132	-178	-66	-177.1	-177.8	0	0	109.6	F385	F385-E387 VanDerWaalsContact C-N 3.3Å; F385-E387 PolarHBondContact O-N 2.96Å
388	M	66.8	Low	73.8	Confident	64 Å²	64	78.8 Å²	78.8	32%	0.315	40%	0.395	S	S	.	.			trans	-73.4	147.2	170.1	-75.1	-176.9	-165	0	0	110.6	L230 K231 F253 T390	L230-M388 WeakPolarHBondContact O-CE 3.36Å; K231-M388 VanDerWaalsContact CA-CE 3.42Å; K231-M388 HydrophobicContact CB-CE 3.96Å; K231-M388 HydrophobicContact CG-CE 3.6Å; F253-M388 HydrophobicContact CD2-SD 4.25Å; F253-M388 HydrophobicContact CE2-CE 4.36Å; F253-M388 HydrophobicContact CE2-SD 4.11Å; M388-T390 PolarHBondContact O-N 3.17Å
389	P	67.4	Low	73.8	Confident	29 Å²	29	80.5 Å²	80.5	19%	0.188	39%	0.388	C	S	.	.			trans	-55.6	115.5	157.8	-17.6	30.5	0	0	0	109	T256	T256-P389 PolarHBondContact OG1-O 3.16Å
390	T	65.2	Low	73.9	Confident	123 Å²	123	75.4 Å²	75.4	76%	0.755	37%	0.367	S	S	*	.	S	Bend	trans	-71.4	-35.3	177.9	47.8	0	0	0	0	111.3	M388	M388-T390 PolarHBondContact O-N 3.17Å
391	E	77.1	Confident	73.6	Confident	137 Å²	137	71.8 Å²	71.8	64%	0.64	35%	0.352	S	S	*	.	S	Bend	trans	-157.8	149.5	175.7	-163.8	178.1	173	0	0	109.8	T256	T256-E391 CarbonylContact O-C 3.59Å; T256-E391 VanDerWaalsContact O-CA 3.26Å; T256-E391 WeakPolarHBondContact O-CA 3.23Å
392	G	75.3	Confident	73.6	Confident	25 Å²	25	78.7 Å²	78.7	26%	0.258	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	92.4	-165.8	177.4	0	0	0	0	0	114.3	H255 T256	H255-G392 WeakPolarHBondContact CA-O 3.24Å; H255-G392 PolarHBondContact CD2-O 3.42Å; T256-G392 PolarHBondContact N-O 3.19Å; T256-G392 PolarHBondContact O-N 3Å
393	I	78.9	Confident	73.9	Confident	30 Å²	30	78.3 Å²	78.3	15%	0.154	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	139.7	-172.9	-64.3	164.8	0	0	0	108.8	F205 L208 L254 H255 W395 A397 E398 L401	F205-I393 HydrophobicContact CB-CD1 3.12Å; F205-I393 HydrophobicContact CD1-CD1 3.67Å; F205-I393 HydrophobicContact CD2-CD1 3.59Å; F205-I393 HydrophobicContact CE1-CD1 4.43Å; F205-I393 HydrophobicContact CE2-CD1 4.37Å; F205-I393 HydrophobicContact CG-CD1 3.16Å; L208-I393 HydrophobicContact CD1-CG1 4.23Å; L208-I393 HydrophobicContact CD1-CG2 3.65Å; L254-I393 WeakPolarHBondContact O-CA 3.46Å; H255-I393 HydrophobicContact CB-CG1 4.33Å; I393-W395 PolarHBondContact O-N 3.14Å; I393-A397 HydrophobicContact CG2-CB 3.83Å; I393-E398 HydrophobicContact CG2-CB 4.03Å; I393-L401 HydrophobicContact CG2-CD1 4.41Å
394	H	82.6	Confident	73.7	Confident	11 Å²	11	74.2 Å²	74.2	5%	0.051	35%	0.352	C	S	.	.			trans	-58.2	131.1	175.9	-170.9	-82	0	0	0	110.5	F253 L254 Y396 A397 E398	F253-H394 WeakPolarHBondContact O-CB 3.43Å; L254-H394 PolarHBondContact O-N 3.19Å; H394-Y396 PolarHBondContact ND1-N 2.8Å; H394-Y396 PolarHBondContact O-N 2.9Å; H394-A397 WeakPolarHBondContact O-CA 3.4Å; H394-A397 WeakPolarHBondContact O-CB 3.19Å; H394-A397 PolarHBondContact O-N 2.94Å; H394-E398 PolarHBondContact O-N 3.44Å
395	W	81.9	Confident	72.8	Confident	139 Å²	139	73 Å²	73	53%	0.527	34%	0.343	S	S	.	.	H	α-helix	trans	-47.2	-39	-173.6	67.5	-93.4	0	0	0	113.9	I393 E398 Y399	I393-W395 PolarHBondContact O-N 3.14Å; W395-E398 WeakPolarHBondContact O-CB 3.3Å; W395-E398 PolarHBondContact O-N 2.72Å; W395-Y399 WeakPolarHBondContact O-CB 3.45Å; W395-Y399 PolarHBondContact O-N 2.79Å
396	Y	83.4	Confident	71.9	Confident	30 Å²	30	78.9 Å²	78.9	12%	0.118	37%	0.366	C	S	.	.	H	α-helix	trans	-67.3	-44.3	178.5	-177.1	-107.4	0	0	0	112.5	I367 M368 P370 L371 H394 E398 Y399 L400	I367-Y396 PolarHBondContact O-OH 2.71Å; I367-Y396 VanDerWaalsContact O-OH 3.07Å; M368-Y396 HydrophobicContact SD-CD1 4.06Å; M368-Y396 HydrophobicContact SD-CE1 4Å; P370-Y396 WeakPolarHBondContact CG-OH 3.48Å; L371-Y396 HydrophobicContact CB-CD1 3.75Å; L371-Y396 HydrophobicContact CB-CE1 3.9Å; L371-Y396 HydrophobicContact CB-CG 4.38Å; L371-Y396 HydrophobicContact CD1-CD1 4.36Å; L371-Y396 HydrophobicContact CD1-CG 4.27Å; L371-Y396 HydrophobicContact CD2-CD1 3.95Å; L371-Y396 HydrophobicContact CG-CD1 4.24Å; H394-Y396 PolarHBondContact ND1-N 2.8Å; H394-Y396 PolarHBondContact O-N 2.9Å; Y396-E398 VanDerWaalsContact C-N 3.32Å; Y396-Y399 PolarHBondContact O-N 2.86Å; Y396-L400 HydrophobicContact CD1-CD1 3.85Å; Y396-L400 HydrophobicContact CE1-CD1 3.42Å; Y396-L400 VanDerWaalsContact CE1-CD1 3.42Å; Y396-L400 HydrophobicContact CE1-CG 4.21Å; Y396-L400 WeakPolarHBondContact O-CG 3.48Å; Y396-L400 PolarHBondContact O-N 3.32Å
397	A	80.5	Confident	71.5	Confident	2 Å²	2	72.2 Å²	72.2	2%	0.017	34%	0.339	C	S	.	.	H	α-helix	trans	-66.5	-38.7	175	0	0	0	0	0	110.7	L208 L254 M368 I393 H394 Y399 L400 L401	L208-A397 HydrophobicContact CD1-CB 4.08Å; L254-A397 HydrophobicContact CD2-CB 4.3Å; M368-A397 HydrophobicContact CE-CB 4.28Å; I393-A397 HydrophobicContact CG2-CB 3.83Å; H394-A397 WeakPolarHBondContact O-CA 3.4Å; H394-A397 WeakPolarHBondContact O-CB 3.19Å; H394-A397 PolarHBondContact O-N 2.94Å; A397-Y399 PolarHBondContact O-N 2.82Å; A397-L400 PolarHBondContact O-N 2.99Å; A397-L401 WeakPolarHBondContact O-CB 3.4Å; A397-L401 VanDerWaalsContact O-CD1 3.22Å; A397-L401 WeakPolarHBondContact O-CD1 3.46Å; A397-L401 WeakPolarHBondContact O-CG 3.44Å; A397-L401 PolarHBondContact O-N 3.25Å
398	E	76.2	Confident	70.7	Confident	91 Å²	91	67.1 Å²	67.1	43%	0.425	32%	0.317	S	S	.	.	H	α-helix	trans	-59.9	-45.8	175.4	-160.6	-177.8	-172.7	0	0	111.6	F205 I393 H394 W395 Y396 L401 Y402	F205-E398 HydrophobicContact CE1-CB 4.33Å; F205-E398 HydrophobicContact CE1-CG 3.53Å; F205-E398 HydrophobicContact CE2-CG 4.3Å; F205-E398 HydrophobicContact CZ-CG 3.36Å; I393-E398 HydrophobicContact CG2-CB 4.03Å; H394-E398 PolarHBondContact O-N 3.44Å; W395-E398 WeakPolarHBondContact O-CB 3.3Å; W395-E398 PolarHBondContact O-N 2.72Å; Y396-E398 VanDerWaalsContact C-N 3.32Å; E398-L401 PolarHBondContact O-N 2.91Å; E398-Y402 PolarHBondContact O-N 2.94Å
399	Y	77.4	Confident	69.8	Low	149 Å²	149	68.3 Å²	68.3	58%	0.584	33%	0.332	S	S	*	.	H	α-helix	trans	-62.1	-45.4	176.3	-179.6	-95.2	0	0	0	112.5	W395 Y396 A397 L401 Y402 F403	W395-Y399 WeakPolarHBondContact O-CB 3.45Å; W395-Y399 PolarHBondContact O-N 2.79Å; Y396-Y399 PolarHBondContact O-N 2.86Å; A397-Y399 PolarHBondContact O-N 2.82Å; Y399-L401 VanDerWaalsContact C-N 3.29Å; Y399-L401 PolarHBondContact O-N 2.87Å; Y399-Y402 WeakPolarHBondContact O-CB 3.15Å; Y399-Y402 PolarHBondContact O-N 2.87Å; Y399-F403 WeakPolarHBondContact O-CB 3.35Å; Y399-F403 PolarHBondContact O-N 2.9Å
400	L	79	Confident	69.2	Low	35 Å²	35	69.7 Å²	69.7	18%	0.183	34%	0.338	C	S	.	.	H	α-helix	trans	-60.2	-41.3	175.7	-72.8	171.2	0	0	0	111.7	I367 M368 Y396 A397 F403 V404	I367-L400 HydrophobicContact CG2-CD1 3.4Å; I367-L400 VanDerWaalsContact CG2-CD1 3.4Å; I367-L400 HydrophobicContact CG2-CD2 4.04Å; I367-L400 HydrophobicContact CG2-CG 4.3Å; M368-L400 HydrophobicContact CE-CD1 4.05Å; M368-L400 HydrophobicContact SD-CD1 4.18Å; Y396-L400 HydrophobicContact CD1-CD1 3.85Å; Y396-L400 HydrophobicContact CE1-CD1 3.42Å; Y396-L400 VanDerWaalsContact CE1-CD1 3.42Å; Y396-L400 HydrophobicContact CE1-CG 4.21Å; Y396-L400 WeakPolarHBondContact O-CG 3.48Å; Y396-L400 PolarHBondContact O-N 3.32Å; A397-L400 PolarHBondContact O-N 2.99Å; L400-F403 PolarHBondContact O-N 2.87Å; L400-V404 WeakPolarHBondContact O-CG2 3.15Å; L400-V404 PolarHBondContact O-N 3.03Å
401	L	67.7	Low	68.1	Low	13 Å²	13	67.1 Å²	67.1	7%	0.068	34%	0.335	C	S	.	.	H	α-helix	trans	-67.3	-40.9	178.2	-74.5	157.3	0	0	0	111.5	F205 L208 I393 A397 E398 Y399 V404 N405 M416	F205-L401 HydrophobicContact CB-CD1 4.38Å; F205-L401 HydrophobicContact CD1-CB 3.44Å; F205-L401 VanDerWaalsContact CD1-CB 3.44Å; F205-L401 HydrophobicContact CD1-CD1 3.42Å; F205-L401 VanDerWaalsContact CD1-CD1 3.42Å; F205-L401 HydrophobicContact CD1-CD2 4.45Å; F205-L401 HydrophobicContact CD1-CG 3.89Å; F205-L401 HydrophobicContact CE1-CB 3.52Å; F205-L401 HydrophobicContact CE1-CD1 4.16Å; F205-L401 HydrophobicContact CE1-CG 4.4Å; F205-L401 HydrophobicContact CG-CD1 4.34Å; L208-L401 HydrophobicContact CD1-CD1 4.13Å; I393-L401 HydrophobicContact CG2-CD1 4.41Å; A397-L401 WeakPolarHBondContact O-CB 3.4Å; A397-L401 VanDerWaalsContact O-CD1 3.22Å; A397-L401 WeakPolarHBondContact O-CD1 3.46Å; A397-L401 WeakPolarHBondContact O-CG 3.44Å; A397-L401 PolarHBondContact O-N 3.25Å; E398-L401 PolarHBondContact O-N 2.91Å; Y399-L401 VanDerWaalsContact C-N 3.29Å; Y399-L401 PolarHBondContact O-N 2.87Å; L401-V404 PolarHBondContact O-N 3.2Å; L401-N405 WeakPolarHBondContact O-CB 3.39Å; L401-N405 VanDerWaalsContact O-CG 3.3Å; L401-N405 PolarHBondContact O-N 2.86Å; L401-N405 PolarHBondContact O-ND2 3.23Å; L401-M416 HydrophobicContact CD2-CE 3.5Å
402	Y	68.1	Low	66.8	Low	153 Å²	153	64.5 Å²	64.5	60%	0.6	33%	0.325	S	S	*	.	H	α-helix	trans	-58.6	-46.8	171.2	179.6	-94.6	0	0	0	111.4	E398 Y399 N405 Y406	E398-Y402 PolarHBondContact O-N 2.94Å; Y399-Y402 WeakPolarHBondContact O-CB 3.15Å; Y399-Y402 PolarHBondContact O-N 2.87Å; Y402-N405 PolarHBondContact O-N 2.91Å; Y402-Y406 WeakPolarHBondContact O-CB 3.36Å; Y402-Y406 PolarHBondContact O-N 2.83Å
403	F	69	Low	65.4	Low	118 Å²	118	71.2 Å²	71.2	52%	0.518	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-45	178.3	-179	-97.6	0	0	0	112.5	Y399 L400 N405 Y406 A407	Y399-F403 WeakPolarHBondContact O-CB 3.35Å; Y399-F403 PolarHBondContact O-N 2.9Å; L400-F403 PolarHBondContact O-N 2.87Å; F403-N405 VanDerWaalsContact C-N 3.33Å; F403-N405 PolarHBondContact O-N 2.94Å; F403-Y406 PolarHBondContact O-N 2.84Å; F403-A407 WeakPolarHBondContact O-CB 3.12Å; F403-A407 PolarHBondContact O-N 3.32Å
404	V	65.4	Low	64	Low	20 Å²	20	69.9 Å²	69.9	12%	0.121	34%	0.336	C	S	.	.	H	α-helix	trans	-62.4	-40.3	176	169.9	0	0	0	0	111.3	L400 L401 A407 N408 M416	L400-V404 WeakPolarHBondContact O-CG2 3.15Å; L400-V404 PolarHBondContact O-N 3.03Å; L401-V404 PolarHBondContact O-N 3.2Å; V404-A407 PolarHBondContact O-N 2.61Å; V404-N408 WeakPolarHBondContact CG1-ND2 3.25Å; V404-N408 WeakPolarHBondContact O-CB 3.18Å; V404-N408 VanDerWaalsContact O-CG 3.31Å; V404-N408 PolarHBondContact O-N 2.87Å; V404-N408 PolarHBondContact O-ND2 2.87Å; V404-M416 HydrophobicContact CB-CE 4.34Å; V404-M416 HydrophobicContact CG1-CE 4.04Å; V404-M416 HydrophobicContact CG1-CG 4.3Å; V404-M416 HydrophobicContact CG2-CE 4.25Å
405	N	54.8	Low	62.2	Low	41 Å²	41	71.9 Å²	71.9	22%	0.219	35%	0.35	C	S	.	.	H	α-helix	trans	-67.6	-39	177	-74.5	-30.2	0	0	0	112.2	L401 Y402 F403 N408 S409	L401-N405 WeakPolarHBondContact O-CB 3.39Å; L401-N405 VanDerWaalsContact O-CG 3.3Å; L401-N405 PolarHBondContact O-N 2.86Å; L401-N405 PolarHBondContact O-ND2 3.23Å; Y402-N405 PolarHBondContact O-N 2.91Å; F403-N405 VanDerWaalsContact C-N 3.33Å; F403-N405 PolarHBondContact O-N 2.94Å; N405-N408 PolarHBondContact O-N 2.88Å; N405-S409 WeakPolarHBondContact O-CB 3.38Å; N405-S409 PolarHBondContact O-N 2.88Å
406	Y	58.9	Low	60.4	Low	126 Å²	126	66.2 Å²	66.2	49%	0.494	33%	0.33	S	S	.	.	H	α-helix	trans	-64.8	-43.5	173.8	-176.9	-103.3	0	0	0	111.6	Y402 F403 N408 S409 L410	Y402-Y406 WeakPolarHBondContact O-CB 3.36Å; Y402-Y406 PolarHBondContact O-N 2.83Å; F403-Y406 PolarHBondContact O-N 2.84Å; Y406-N408 PolarHBondContact O-N 2.91Å; Y406-S409 PolarHBondContact O-N 2.98Å; Y406-S409 PolarHBondContact O-OG 2.81Å; Y406-L410 HydrophobicContact CD1-CD1 3.94Å; Y406-L410 HydrophobicContact CE1-CD1 3.48Å; Y406-L410 VanDerWaalsContact CE1-CD1 3.48Å; Y406-L410 HydrophobicContact CE1-CG 4.39Å; Y406-L410 WeakPolarHBondContact O-CG 3.4Å; Y406-L410 PolarHBondContact O-N 2.84Å; Y406-L410 VanDerWaalsContact O-N 3.09Å
407	A	57.9	Low	58.4	Low	12 Å²	12	67.9 Å²	67.9	10%	0.099	34%	0.341	C	S	.	.	H	α-helix	trans	-61.5	-45.1	173.9	0	0	0	0	0	111.6	F403 V404 S409 L410 G411 L412	F403-A407 WeakPolarHBondContact O-CB 3.12Å; F403-A407 PolarHBondContact O-N 3.32Å; V404-A407 PolarHBondContact O-N 2.61Å; A407-S409 VanDerWaalsContact C-N 3.33Å; A407-S409 PolarHBondContact O-N 2.97Å; A407-L410 CarbonylContact O-C 3.14Å; A407-L410 WeakPolarHBondContact O-CB 3.43Å; A407-L410 PolarHBondContact O-N 3.34Å; A407-L410 VanDerWaalsContact O-N 3.17Å; A407-G411 PolarHBondContact O-N 2.78Å; A407-L412 HydrophobicContact CB-CB 4.2Å; A407-L412 HydrophobicContact CB-CD1 4.36Å; A407-L412 WeakPolarHBondContact O-CB 3.17Å; A407-L412 PolarHBondContact O-N 2.71Å
408	N	50.6	Low	56	Low	62 Å²	62	73.9 Å²	73.9	33%	0.332	36%	0.364	S	S	.	.	H	α-helix	trans	-62.2	-37.8	175.5	-81.7	-49.2	0	0	0	112.8	V404 N405 Y406 L410 G411 S414	V404-N408 WeakPolarHBondContact CG1-ND2 3.25Å; V404-N408 WeakPolarHBondContact O-CB 3.18Å; V404-N408 VanDerWaalsContact O-CG 3.31Å; V404-N408 PolarHBondContact O-N 2.87Å; V404-N408 PolarHBondContact O-ND2 2.87Å; N405-N408 PolarHBondContact O-N 2.88Å; Y406-N408 PolarHBondContact O-N 2.91Å; N408-L410 PolarHBondContact O-N 3.39Å; N408-G411 PolarHBondContact O-N 3.36Å; N408-S414 VanDerWaalsContact OD1-CB 3.31Å; N408-S414 WeakPolarHBondContact OD1-CB 3.3Å
409	S	48.2	Very low	53.8	Low	89 Å²	89	79.3 Å²	79.3	62%	0.622	38%	0.38	S	S	*	.	H	α-helix	trans	-68.7	-27.7	177.5	73.7	0	0	0	0	112.1	N405 Y406 A407 G411	N405-S409 WeakPolarHBondContact O-CB 3.38Å; N405-S409 PolarHBondContact O-N 2.88Å; Y406-S409 PolarHBondContact O-N 2.98Å; Y406-S409 PolarHBondContact O-OG 2.81Å; A407-S409 VanDerWaalsContact C-N 3.33Å; A407-S409 PolarHBondContact O-N 2.97Å; S409-G411 PolarHBondContact O-N 3.03Å
410	L	55	Low	52.6	Low	58 Å²	58	75.9 Å²	75.9	30%	0.304	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-0.6	168.8	-65.4	175.5	0	0	0	113.4	P37 Y406 A407 N408 L412	P37-L410 VanDerWaalsContact CB-O 3.28Å; P37-L410 WeakPolarHBondContact CB-O 3.35Å; P37-L410 HydrophobicContact CG-CB 4.08Å; P37-L410 HydrophobicContact CG-CD2 4.41Å; P37-L410 WeakPolarHBondContact CG-O 3.2Å; Y406-L410 HydrophobicContact CD1-CD1 3.94Å; Y406-L410 HydrophobicContact CE1-CD1 3.48Å; Y406-L410 VanDerWaalsContact CE1-CD1 3.48Å; Y406-L410 HydrophobicContact CE1-CG 4.39Å; Y406-L410 WeakPolarHBondContact O-CG 3.4Å; Y406-L410 PolarHBondContact O-N 2.84Å; Y406-L410 VanDerWaalsContact O-N 3.09Å; A407-L410 CarbonylContact O-C 3.14Å; A407-L410 WeakPolarHBondContact O-CB 3.43Å; A407-L410 PolarHBondContact O-N 3.34Å; A407-L410 VanDerWaalsContact O-N 3.17Å; N408-L410 PolarHBondContact O-N 3.39Å; L410-L412 HydrophobicContact CB-CD1 4.25Å; L410-L412 HydrophobicContact CB-CG 4.15Å; L410-L412 HydrophobicContact CD1-CD1 4.28Å; L410-L412 PolarHBondContact O-N 3.28Å
411	G	43.4	Very low	51.2	Low	68 Å²	68	78 Å²	78	70%	0.701	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	12.8	-176.3	0	0	0	0	0	114	A407 N408 S409	A407-G411 PolarHBondContact O-N 2.78Å; N408-G411 PolarHBondContact O-N 3.36Å; S409-G411 PolarHBondContact O-N 3.03Å
412	L	48.5	Very low	50.3	Low	83 Å²	83	81.6 Å²	81.6	44%	0.435	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-72.5	142.6	172	-61.8	171.1	0	0	0	109.4	A407 L410 S414	A407-L412 HydrophobicContact CB-CB 4.2Å; A407-L412 HydrophobicContact CB-CD1 4.36Å; A407-L412 WeakPolarHBondContact O-CB 3.17Å; A407-L412 PolarHBondContact O-N 2.71Å; L410-L412 HydrophobicContact CB-CD1 4.25Å; L410-L412 HydrophobicContact CB-CG 4.15Å; L410-L412 HydrophobicContact CD1-CD1 4.28Å; L410-L412 PolarHBondContact O-N 3.28Å; L412-S414 PolarHBondContact O-N 3.17Å
413	W	46.6	Very low	49.3	Very low	165 Å²	165	77.4 Å²	77.4	63%	0.625	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-59.5	129.2	178.5	-172.3	81.2	0	0	0	110.8	P415 D417 Y418	W413-P415 WeakPolarHBondContact O-CD 3.15Å; W413-D417 HydrophobicContact CZ2-CB 4.46Å; W413-Y418 AromaticContact CH2-CD2 3.44Å; W413-Y418 HydrophobicContact CH2-CD2 3.44Å; W413-Y418 VanDerWaalsContact CH2-CD2 3.44Å; W413-Y418 HydrophobicContact CH2-CE2 4.34Å; W413-Y418 HydrophobicContact CH2-CG 4.04Å; W413-Y418 HydrophobicContact CZ2-CD2 4.43Å; W413-Y418 HydrophobicContact CZ3-CD2 4.05Å
414	S	48.1	Very low	48.1	Very low	3 Å²	3	74.9 Å²	74.9	2%	0.021	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-82.3	123.6	179.3	166.7	0	0	0	0	110.4	N408 L412 M416 D417	N408-S414 VanDerWaalsContact OD1-CB 3.31Å; N408-S414 WeakPolarHBondContact OD1-CB 3.3Å; L412-S414 PolarHBondContact O-N 3.17Å; S414-M416 PolarHBondContact O-N 3.05Å; S414-M416 VanDerWaalsContact O-N 3.07Å; S414-M416 WeakPolarHBondContact OG-CB 3.16Å; S414-M416 PolarHBondContact OG-N 3.33Å; S414-D417 PolarHBondContact O-N 2.92Å
415	P	44.8	Very low	46.9	Very low	52 Å²	52	78.5 Å²	78.5	34%	0.338	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-57.3	-23.6	171.6	-21	30.9	0	0	0	113.3	L363 W413 D417 Y418	L363-P415 HydrophobicContact CD2-CB 4.14Å; L363-P415 WeakPolarHBondContact CD2-O 3.21Å; W413-P415 WeakPolarHBondContact O-CD 3.15Å; P415-D417 PolarHBondContact O-N 3.44Å; P415-D417 VanDerWaalsContact O-N 3.13Å; P415-Y418 WeakPolarHBondContact O-CB 3.22Å; P415-Y418 PolarHBondContact O-N 2.89Å; P415-Y418 VanDerWaalsContact O-N 3.14Å
416	M	44.7	Very low	46.3	Very low	21 Å²	21	81.2 Å²	81.2	10%	0.103	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-64.1	-14.6	176.4	-61.1	-139.7	-150.9	0	0	114	R206 I358 L401 V404 S414 Y418	R206-M416 PolarHBondContact NH1-SD 2.72Å; I358-M416 HydrophobicContact CD1-CG 4.27Å; I358-M416 HydrophobicContact CD1-SD 4.16Å; I358-M416 HydrophobicContact CG1-CB 4.31Å; I358-M416 HydrophobicContact CG1-CG 3.9Å; I358-M416 HydrophobicContact CG1-SD 3.58Å; I358-M416 VanDerWaalsContact CG1-SD 3.58Å; L401-M416 HydrophobicContact CD2-CE 3.5Å; V404-M416 HydrophobicContact CB-CE 4.34Å; V404-M416 HydrophobicContact CG1-CE 4.04Å; V404-M416 HydrophobicContact CG1-CG 4.3Å; V404-M416 HydrophobicContact CG2-CE 4.25Å; S414-M416 PolarHBondContact O-N 3.05Å; S414-M416 VanDerWaalsContact O-N 3.07Å; S414-M416 WeakPolarHBondContact OG-CB 3.16Å; S414-M416 PolarHBondContact OG-N 3.33Å; M416-Y418 VanDerWaalsContact C-N 3.35Å
417	D	41.7	Very low	45.4	Very low	64 Å²	64	77.8 Å²	77.8	34%	0.342	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-93.1	7.5	178.7	-61.5	-20.6	0	0	0	112.3	W413 S414 P415 R419	W413-D417 HydrophobicContact CZ2-CB 4.46Å; S414-D417 PolarHBondContact O-N 2.92Å; P415-D417 PolarHBondContact O-N 3.44Å; P415-D417 VanDerWaalsContact O-N 3.13Å; D417-R419 PolarHBondContact O-N 3.48Å
418	Y	29.9	Very low	44.3	Very low	128 Å²	128	83.3 Å²	83.3	50%	0.502	43%	0.425	S	S	.	.			trans	-69.9	110.2	174.4	-148.2	-71.3	0	0	0	110	S359 W413 P415 M416	S359-Y418 PolarHBondContact OG-O 3.36Å; W413-Y418 AromaticContact CH2-CD2 3.44Å; W413-Y418 HydrophobicContact CH2-CD2 3.44Å; W413-Y418 VanDerWaalsContact CH2-CD2 3.44Å; W413-Y418 HydrophobicContact CH2-CE2 4.34Å; W413-Y418 HydrophobicContact CH2-CG 4.04Å; W413-Y418 HydrophobicContact CZ2-CD2 4.43Å; W413-Y418 HydrophobicContact CZ3-CD2 4.05Å; P415-Y418 WeakPolarHBondContact O-CB 3.22Å; P415-Y418 PolarHBondContact O-N 2.89Å; P415-Y418 VanDerWaalsContact O-N 3.14Å; M416-Y418 VanDerWaalsContact C-N 3.35Å
419	R	30.4	Very low	43.8	Very low	206 Å²	206	85.2 Å²	85.2	78%	0.777	43%	0.434	S	S	*	.			trans	-96.2	0	156.3	-84.9	-172.9	173.8	-167.9	-8.4	108.2	E299 D417	E299-R419 IonicContact OE1-NH2 3.64Å; E299-R419 PolarHBondContact OE1-NH2 3.32Å; E299-R419 IonicContact OE2-NH2 3.69Å; E299-R419 PolarHBondContact OE2-NH2 2.98Å; D417-R419 PolarHBondContact O-N 3.48Å

Retrieved 419 of 419 residues in 115.4 ms (Link to these results)

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