A0A087YMJ5_POEFO Loading...

Macrophage-expressed gene 1 protein

Pore-forming protein involved in both innate and adaptive immunity. Plays a central role in antigen cross-presentation in dendritic cells by forming a pore in antigen-containing compartments, thereby promoting delivery of antigens for cross-presentation. Also involved in innate immune response following bacterial infection; shows antibacterial activity against a wide spectrum of Gram-positive, Gram-negative and acid-fast bacteria. Reduces the viability of the intracytosolic pathogen L.monocytogenes by inhibiting acidification of the phagocytic vacuole of host cells which restricts bacterial translocation from the vacuole to the cytosol. Required for the antibacterial activity of reactive oxygen species and nitric oxide. Pore-forming protein that plays a central role in antigen cross-presentation in dendritic cells by mediating delivery of antigens for cross-presentation. Dendritic cells bridge innate and adaptive immunity by capturing exogenous antigens on MHC class-I molecules and presenting them to naive CD8(+) T-cells. Acts by forming a pore in antigen-containing compartments, promoting the release of antigens into the cytosol, enabling generation of MHCI:peptide complexes and T-cell priming.

AlphaFold DB , UniProt , Accession A0A087YMJ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 733 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	42	Very low	41.9	Very low	241 Å²	241	146 Å²	146	100%	1.187	76%	0.756	S	S	*	*				0	124.2	0	-104.3	162.6	161.3	0	0	108.6
2	N	46.4	Very low	42.1	Very low	149 Å²	149	139.3 Å²	139.3	80%	0.797	73%	0.731	S	S	*	*			trans	47.1	85.8	163	-68.5	-12	0	0	0	119.6
3	F	38.1	Very low	42.5	Very low	211 Å²	211	136.6 Å²	136.6	93%	0.925	72%	0.716	S	S	*	*	S	Bend	trans	-160.3	26.4	141.6	-110.8	-73.7	0	0	0	113.6
4	N	39.7	Very low	42.6	Very low	164 Å²	164	137.1 Å²	137.1	88%	0.877	71%	0.709	S	S	*	*	S	Bend	trans	-122.2	24.4	-174.4	-88.5	-9.1	0	0	0	115
5	R	43.7	Very low	42.9	Very low	218 Å²	218	130.4 Å²	130.4	82%	0.823	69%	0.687	S	S	*	*	S	Bend	trans	-123.6	8.2	-179.1	-131.6	179.8	-168.3	-178.8	2.9	116.4
6	V	45.8	Very low	43.5	Very low	120 Å²	120	128.6 Å²	128.6	73%	0.727	68%	0.677	S	S	*	*	S	Bend	trans	-113.2	-10.7	-180	-176.5	0	0	0	0	112.7
7	A	41.4	Very low	43.7	Very low	81 Å²	81	128.3 Å²	128.3	67%	0.669	67%	0.673	S	S	*	*	S	Bend	trans	-93.7	-14.8	179.8	0	0	0	0	0	114.9	T11	A7-T11 PolarHBondContact O-OG1 2.95Å
8	S	39	Very low	44	Very low	70 Å²	70	130.3 Å²	130.3	49%	0.49	68%	0.675	S	S	.	*	S	Bend	trans	-87.8	-22.8	178.8	71.2	0	0	0	0	114.2	T11 S12	S8-T11 PolarHBondContact O-OG1 3.4Å; S8-S12 PolarHBondContact O-N 2.85Å
9	D	40.7	Very low	44.5	Very low	101 Å²	101	127.1 Å²	127.1	54%	0.54	67%	0.665	S	S	.	*	H	α-helix	trans	-82.5	-26.5	-179.2	-74.2	-14.3	0	0	0	112.4	I13	D9-I13 WeakPolarHBondContact O-CB 3.22Å; D9-I13 WeakPolarHBondContact O-CD1 3.44Å; D9-I13 WeakPolarHBondContact O-CG1 3.47Å; D9-I13 PolarHBondContact O-N 3.29Å; D9-I13 VanDerWaalsContact O-N 3.15Å
10	F	40	Very low	45.1	Very low	149 Å²	149	124.5 Å²	124.5	65%	0.654	66%	0.655	S	S	*	*	H	α-helix	trans	-76.6	-25.6	177.6	-103.7	-86	0	0	0	114.2	K14	F10-K14 PolarHBondContact O-N 2.58Å
11	T	43.8	Very low	45.6	Very low	102 Å²	102	124.4 Å²	124.4	63%	0.626	65%	0.654	S	S	*	*	H	α-helix	trans	-83	-33.4	174.4	31	0	0	0	0	112.2	A7 S8 G15	A7-T11 PolarHBondContact O-OG1 2.95Å; S8-T11 PolarHBondContact O-OG1 3.4Å; T11-G15 PolarHBondContact O-N 3.21Å
12	S	44.6	Very low	46.3	Very low	65 Å²	65	117.3 Å²	117.3	46%	0.455	62%	0.624	S	S	.	*	H	α-helix	trans	-68.3	-43.1	173.8	-167.7	0	0	0	0	112.1	S8 K14 G15 I16	S8-S12 PolarHBondContact O-N 2.85Å; S12-K14 PolarHBondContact O-N 3.48Å; S12-G15 PolarHBondContact O-N 2.89Å; S12-I16 WeakPolarHBondContact O-CD1 3.21Å; S12-I16 VanDerWaalsContact O-CG1 3.27Å; S12-I16 WeakPolarHBondContact O-CG1 3.35Å; S12-I16 PolarHBondContact O-N 3.32Å
13	I	47.3	Very low	46.7	Very low	105 Å²	105	115.8 Å²	115.8	54%	0.538	62%	0.615	S	S	.	*	H	α-helix	trans	-70.3	-34.9	179.9	-65.2	166.7	0	0	0	112	D9 M17	D9-I13 WeakPolarHBondContact O-CB 3.22Å; D9-I13 WeakPolarHBondContact O-CD1 3.44Å; D9-I13 WeakPolarHBondContact O-CG1 3.47Å; D9-I13 PolarHBondContact O-N 3.29Å; D9-I13 VanDerWaalsContact O-N 3.15Å; I13-M17 WeakPolarHBondContact O-CB 3.48Å; I13-M17 PolarHBondContact O-N 3.06Å
14	K	44.5	Very low	47.4	Very low	143 Å²	143	110.4 Å²	110.4	62%	0.622	60%	0.596	S	S	*	*	H	α-helix	trans	-67.9	-33.7	173.1	-87.1	-179.4	176.6	176.2	0	113	F10 S12 K18	F10-K14 PolarHBondContact O-N 2.58Å; S12-K14 PolarHBondContact O-N 3.48Å; K14-K18 WeakPolarHBondContact O-CB 3.24Å; K14-K18 PolarHBondContact O-N 3.26Å; K14-K18 VanDerWaalsContact O-N 3.14Å
15	G	46.3	Very low	48	Very low	37 Å²	37	104.5 Å²	104.5	38%	0.381	57%	0.57	S	S	.	*	H	α-helix	trans	-69.2	-45.9	174.1	0	0	0	0	0	112.2	T11 S12 K18 S19	T11-G15 PolarHBondContact O-N 3.21Å; S12-G15 PolarHBondContact O-N 2.89Å; G15-K18 PolarHBondContact O-N 3.31Å; G15-S19 WeakPolarHBondContact O-CB 3.14Å; G15-S19 PolarHBondContact O-N 2.81Å; G15-S19 PolarHBondContact O-OG 3.03Å
16	I	52.8	Low	48.5	Very low	101 Å²	101	96.3 Å²	96.3	52%	0.518	55%	0.549	S	S	.	.	H	α-helix	trans	-67.2	-41.4	178.8	-64.4	163.5	0	0	0	110.8	S12 S19 V20	S12-I16 WeakPolarHBondContact O-CD1 3.21Å; S12-I16 VanDerWaalsContact O-CG1 3.27Å; S12-I16 WeakPolarHBondContact O-CG1 3.35Å; S12-I16 PolarHBondContact O-N 3.32Å; I16-S19 PolarHBondContact O-N 2.84Å; I16-V20 HydrophobicContact CG2-CG2 4.21Å; I16-V20 WeakPolarHBondContact O-CB 3.32Å; I16-V20 WeakPolarHBondContact O-CG2 3.2Å; I16-V20 PolarHBondContact O-N 2.78Å
17	M	46.7	Very low	48.7	Very low	124 Å²	124	95.7 Å²	95.7	61%	0.611	54%	0.541	S	S	*	.	H	α-helix	trans	-70.1	-34	179.4	-159.5	166.5	71.3	0	0	112.4	I13 L21	I13-M17 WeakPolarHBondContact O-CB 3.48Å; I13-M17 PolarHBondContact O-N 3.06Å; M17-L21 WeakPolarHBondContact O-CB 3.46Å; M17-L21 PolarHBondContact O-N 3.01Å
18	K	50.1	Low	49.2	Very low	165 Å²	165	95.2 Å²	95.2	72%	0.717	53%	0.53	S	S	*	.	H	α-helix	trans	-69	-40.7	170.9	-88.9	-176.9	172.2	-176.6	0	112.5	K14 G15 L21 T22	K14-K18 WeakPolarHBondContact O-CB 3.24Å; K14-K18 PolarHBondContact O-N 3.26Å; K14-K18 VanDerWaalsContact O-N 3.14Å; G15-K18 PolarHBondContact O-N 3.31Å; K18-L21 PolarHBondContact O-N 3.39Å; K18-T22 WeakPolarHBondContact O-CB 3.34Å; K18-T22 PolarHBondContact O-N 3.11Å; K18-T22 PolarHBondContact O-OG1 3.16Å
19	S	53.3	Low	49.3	Very low	69 Å²	69	99.2 Å²	99.2	48%	0.483	54%	0.539	S	S	.	.	H	α-helix	trans	-68.2	-36.2	176.8	-67.7	0	0	0	0	112.5	G15 I16 T22 L23	G15-S19 WeakPolarHBondContact O-CB 3.14Å; G15-S19 PolarHBondContact O-N 2.81Å; G15-S19 PolarHBondContact O-OG 3.03Å; I16-S19 PolarHBondContact O-N 2.84Å; S19-T22 VanDerWaalsContact CA-OG1 3.29Å; S19-T22 WeakPolarHBondContact CA-OG1 3.44Å; S19-T22 PolarHBondContact O-OG1 2.94Å; S19-L23 WeakPolarHBondContact O-CB 3.48Å; S19-L23 PolarHBondContact O-N 2.91Å
20	V	56.3	Low	49.2	Very low	75 Å²	75	101.9 Å²	101.9	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-73.3	-39.2	175.5	172.1	0	0	0	0	111	I16 L23 L24	I16-V20 HydrophobicContact CG2-CG2 4.21Å; I16-V20 WeakPolarHBondContact O-CB 3.32Å; I16-V20 WeakPolarHBondContact O-CG2 3.2Å; I16-V20 PolarHBondContact O-N 2.78Å; V20-L23 PolarHBondContact O-N 2.84Å; V20-L24 HydrophobicContact CG1-CD1 3.7Å; V20-L24 VanDerWaalsContact O-CB 3.3Å; V20-L24 WeakPolarHBondContact O-CB 3.42Å; V20-L24 PolarHBondContact O-N 2.95Å
21	L	54.8	Low	49.2	Very low	123 Å²	123	102.8 Å²	102.8	64%	0.644	55%	0.552	S	S	*	*	H	α-helix	trans	-67.7	-34.3	173.6	-127.5	79.4	0	0	0	112.5	M17 K18 A25	M17-L21 WeakPolarHBondContact O-CB 3.46Å; M17-L21 PolarHBondContact O-N 3.01Å; K18-L21 PolarHBondContact O-N 3.39Å; L21-A25 WeakPolarHBondContact O-CB 3.43Å; L21-A25 PolarHBondContact O-N 3.14Å
22	T	57	Low	49.2	Very low	91 Å²	91	104.6 Å²	104.6	56%	0.558	56%	0.556	S	S	*	*	H	α-helix	trans	-76.4	-32.9	175.2	38.7	0	0	0	0	112.4	K18 S19 A26	K18-T22 WeakPolarHBondContact O-CB 3.34Å; K18-T22 PolarHBondContact O-N 3.11Å; K18-T22 PolarHBondContact O-OG1 3.16Å; S19-T22 VanDerWaalsContact CA-OG1 3.29Å; S19-T22 WeakPolarHBondContact CA-OG1 3.44Å; S19-T22 PolarHBondContact O-OG1 2.94Å; T22-A26 WeakPolarHBondContact O-CB 3.09Å; T22-A26 PolarHBondContact O-N 3.06Å
23	L	55.4	Low	48.8	Very low	117 Å²	117	106.3 Å²	106.3	61%	0.613	57%	0.567	S	S	*	*	H	α-helix	trans	-67.7	-42.9	168.9	-114.3	92.2	0	0	0	111.9	S19 V20 A26 L27	S19-L23 WeakPolarHBondContact O-CB 3.48Å; S19-L23 PolarHBondContact O-N 2.91Å; V20-L23 PolarHBondContact O-N 2.84Å; L23-A26 PolarHBondContact O-N 3.45Å; L23-L27 VanDerWaalsContact O-CB 3.26Å; L23-L27 WeakPolarHBondContact O-CB 3.39Å; L23-L27 WeakPolarHBondContact O-CD1 3.11Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.29Å; L23-L27 PolarHBondContact O-N 3.24Å
24	L	52.5	Low	48.3	Very low	99 Å²	99	106 Å²	106	52%	0.518	57%	0.574	S	S	.	*	H	α-helix	trans	-69.4	-34.5	176.4	-93.4	142.4	0	0	0	112.3	V20 T28	V20-L24 HydrophobicContact CG1-CD1 3.7Å; V20-L24 VanDerWaalsContact O-CB 3.3Å; V20-L24 WeakPolarHBondContact O-CB 3.42Å; V20-L24 PolarHBondContact O-N 2.95Å; L24-T28 WeakPolarHBondContact O-CB 3.31Å; L24-T28 VanDerWaalsContact O-CG2 3.25Å; L24-T28 WeakPolarHBondContact O-CG2 3.35Å; L24-T28 PolarHBondContact O-N 3.19Å; L24-T28 PolarHBondContact O-OG1 3.17Å
25	A	52.5	Low	48.2	Very low	39 Å²	39	104.7 Å²	104.7	32%	0.322	58%	0.582	S	S	.	*	H	α-helix	trans	-68.8	-43.4	170.3	0	0	0	0	0	110.9	L21 L27 T28 F29	L21-A25 WeakPolarHBondContact O-CB 3.43Å; L21-A25 PolarHBondContact O-N 3.14Å; A25-L27 PolarHBondContact O-N 3.26Å; A25-T28 WeakPolarHBondContact CA-OG1 3.04Å; A25-T28 PolarHBondContact O-N 3.29Å; A25-T28 PolarHBondContact O-OG1 2.91Å; A25-T28 VanDerWaalsContact O-OG1 3.13Å; A25-F29 VanDerWaalsContact O-CB 3.32Å; A25-F29 WeakPolarHBondContact O-CB 3.35Å; A25-F29 WeakPolarHBondContact O-CD2 3.33Å; A25-F29 PolarHBondContact O-N 2.91Å
26	A	52.8	Low	47.7	Very low	47 Å²	47	105 Å²	105	39%	0.388	59%	0.585	S	S	.	*	H	α-helix	trans	-62.8	-42.2	175	0	0	0	0	0	111.6	T22 L23 F29 F30	T22-A26 WeakPolarHBondContact O-CB 3.09Å; T22-A26 PolarHBondContact O-N 3.06Å; L23-A26 PolarHBondContact O-N 3.45Å; A26-F29 PolarHBondContact O-N 3.11Å; A26-F30 WeakPolarHBondContact O-CB 3.39Å; A26-F30 VanDerWaalsContact O-CD2 3.24Å; A26-F30 WeakPolarHBondContact O-CD2 3.05Å; A26-F30 PolarHBondContact O-N 2.87Å
27	L	51.3	Low	46.9	Very low	107 Å²	107	106.2 Å²	106.2	56%	0.56	60%	0.6	S	S	*	*	H	α-helix	trans	-68.7	-33.1	176.9	-77.8	157.7	0	0	0	112.7	L23 A25 Q31	L23-L27 VanDerWaalsContact O-CB 3.26Å; L23-L27 WeakPolarHBondContact O-CB 3.39Å; L23-L27 WeakPolarHBondContact O-CD1 3.11Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.29Å; L23-L27 PolarHBondContact O-N 3.24Å; A25-L27 PolarHBondContact O-N 3.26Å; L27-Q31 WeakPolarHBondContact O-CB 3.41Å; L27-Q31 WeakPolarHBondContact O-CG 3.3Å; L27-Q31 PolarHBondContact O-N 3.14Å; L27-Q31 VanDerWaalsContact O-N 3.15Å
28	T	51.1	Low	46.6	Very low	71 Å²	71	105.3 Å²	105.3	44%	0.436	60%	0.601	S	S	.	*	H	α-helix	trans	-78.5	-33.7	173.6	50.1	0	0	0	0	112.6	L24 A25 Q31 I32	L24-T28 WeakPolarHBondContact O-CB 3.31Å; L24-T28 VanDerWaalsContact O-CG2 3.25Å; L24-T28 WeakPolarHBondContact O-CG2 3.35Å; L24-T28 PolarHBondContact O-N 3.19Å; L24-T28 PolarHBondContact O-OG1 3.17Å; A25-T28 WeakPolarHBondContact CA-OG1 3.04Å; A25-T28 PolarHBondContact O-N 3.29Å; A25-T28 PolarHBondContact O-OG1 2.91Å; A25-T28 VanDerWaalsContact O-OG1 3.13Å; T28-Q31 PolarHBondContact O-N 3.33Å; T28-I32 WeakPolarHBondContact O-CB 3.37Å; T28-I32 WeakPolarHBondContact O-CD1 3.48Å; T28-I32 VanDerWaalsContact O-CG1 3.26Å; T28-I32 WeakPolarHBondContact O-CG1 3.24Å; T28-I32 PolarHBondContact O-N 3.32Å
29	F	40.9	Very low	46.2	Very low	153 Å²	153	102.8 Å²	102.8	67%	0.671	60%	0.604	S	S	*	*	H	α-helix	trans	-70	-30.9	170.4	-87.2	-76.5	0	0	0	112.7	A25 A26 C33	A25-F29 VanDerWaalsContact O-CB 3.32Å; A25-F29 WeakPolarHBondContact O-CB 3.35Å; A25-F29 WeakPolarHBondContact O-CD2 3.33Å; A25-F29 PolarHBondContact O-N 2.91Å; A26-F29 PolarHBondContact O-N 3.11Å; F29-C33 PolarHBondContact O-N 2.04Å
30	F	39.6	Very low	45.9	Very low	158 Å²	158	109.2 Å²	109.2	69%	0.693	62%	0.618	S	S	*	*	H	α-helix	trans	-74.1	-25.4	170.7	-91.9	-74.6	0	0	0	113.4	A26 C34	A26-F30 WeakPolarHBondContact O-CB 3.39Å; A26-F30 VanDerWaalsContact O-CD2 3.24Å; A26-F30 WeakPolarHBondContact O-CD2 3.05Å; A26-F30 PolarHBondContact O-N 2.87Å; F30-C34 PolarHBondContact O-SG 2.76Å; F30-C34 VanDerWaalsContact O-SG 3.35Å
31	Q	40.6	Very low	45.9	Very low	168 Å²	168	110.8 Å²	110.8	79%	0.785	63%	0.629	S	S	*	*	H	α-helix	trans	-84.9	-22.6	174.6	-78	-96.5	-45.2	0	0	113.4	L27 T28	L27-Q31 WeakPolarHBondContact O-CB 3.41Å; L27-Q31 WeakPolarHBondContact O-CG 3.3Å; L27-Q31 PolarHBondContact O-N 3.14Å; L27-Q31 VanDerWaalsContact O-N 3.15Å; T28-Q31 PolarHBondContact O-N 3.33Å
32	I	42.4	Very low	46.4	Very low	139 Å²	139	109 Å²	109	71%	0.713	62%	0.624	S	S	*	*	H	α-helix	trans	-93	-11.4	178.8	-63.6	166	0	0	0	112.4	T28	T28-I32 WeakPolarHBondContact O-CB 3.37Å; T28-I32 WeakPolarHBondContact O-CD1 3.48Å; T28-I32 VanDerWaalsContact O-CG1 3.26Å; T28-I32 WeakPolarHBondContact O-CG1 3.24Å; T28-I32 PolarHBondContact O-N 3.32Å
33	C	36.9	Very low	47.3	Very low	101 Å²	101	107.8 Å²	107.8	68%	0.682	61%	0.614	S	S	*	*	S	Bend	trans	-103.2	7.9	172.4	-93	0	0	0	0	115.1	F29 S35	F29-C33 PolarHBondContact O-N 2.04Å; C33-S35 VanDerWaalsContact C-N 3.29Å; C33-S35 PolarHBondContact O-N 3.37Å
34	C	37	Very low	48.7	Very low	100 Å²	100	107.2 Å²	107.2	68%	0.676	60%	0.604	S	S	*	*			trans	-93.5	44.7	173.3	-79	0	0	0	0	112.7	F30 G36	F30-C34 PolarHBondContact O-SG 2.76Å; F30-C34 VanDerWaalsContact O-SG 3.35Å; C34-G36 PolarHBondContact O-N 3.15Å
35	S	42.9	Very low	50.3	Low	114 Å²	114	103.7 Å²	103.7	80%	0.797	59%	0.585	S	S	*	*	S	Bend	trans	-81.1	75.3	132	-61.3	0	0	0	0	105.1	C33	C33-S35 VanDerWaalsContact C-N 3.29Å; C33-S35 PolarHBondContact O-N 3.37Å
36	G	34.7	Very low	51.9	Low	44 Å²	44	112 Å²	112	45%	0.454	61%	0.608	S	S	.	*			trans	-48.4	143.2	174.4	0	0	0	0	0	108.1	C34 V38	C34-G36 PolarHBondContact O-N 3.15Å; G36-V38 PolarHBondContact O-N 3.38Å
37	P	36.8	Very low	53.6	Low	127 Å²	127	113 Å²	113	83%	0.825	61%	0.605	S	S	*	*			trans	-48.5	122.7	172.7	21.7	-31.2	0	0	0	105.9	S39	P37-S39 VanDerWaalsContact C-N 3.33Å; P37-S39 PolarHBondContact O-N 3.12Å
38	V	38.9	Very low	55.3	Low	104 Å²	104	108 Å²	108	63%	0.63	58%	0.578	S	S	*	*			trans	-45.4	107.4	177.5	173.1	0	0	0	0	105.4	G36 R40	G36-V38 PolarHBondContact O-N 3.38Å; V38-R40 VanDerWaalsContact C-N 3.28Å; V38-R40 WeakPolarHBondContact O-CG 3.32Å; V38-R40 PolarHBondContact O-N 2.97Å
39	S	41.5	Very low	57.1	Low	112 Å²	112	110.2 Å²	110.2	78%	0.783	58%	0.579	S	S	*	*			trans	-63.1	100.2	-175.4	-178.6	0	0	0	0	105	P37 P41	P37-S39 VanDerWaalsContact C-N 3.33Å; P37-S39 PolarHBondContact O-N 3.12Å; S39-P41 WeakPolarHBondContact O-CD 3.29Å
40	R	48.9	Very low	59.1	Low	205 Å²	205	107 Å²	107	77%	0.774	58%	0.581	S	S	*	*			trans	-73.5	120.9	177.6	-64.8	-172.9	-175.6	-170.7	0.6	104.3	V38 T42	V38-R40 VanDerWaalsContact C-N 3.28Å; V38-R40 WeakPolarHBondContact O-CG 3.32Å; V38-R40 PolarHBondContact O-N 2.97Å; R40-T42 PolarHBondContact O-N 3.01Å; R40-T42 VanDerWaalsContact O-N 3.15Å
41	P	55.4	Low	60.9	Low	107 Å²	107	103.2 Å²	103.2	70%	0.695	57%	0.574	S	S	*	*			trans	-49.8	128.5	173.1	-21	30	0	0	0	108.1	S39 N43	S39-P41 WeakPolarHBondContact O-CD 3.29Å; P41-N43 PolarHBondContact O-N 3.3Å
42	T	64.4	Low	62.2	Low	86 Å²	86	97 Å²	97	53%	0.528	55%	0.547	S	S	.	.			trans	-66.9	108.6	174.6	44	0	0	0	0	107.6	R40 W44	R40-T42 PolarHBondContact O-N 3.01Å; R40-T42 VanDerWaalsContact O-N 3.15Å; T42-W44 PolarHBondContact O-N 3.29Å; T42-W44 VanDerWaalsContact O-N 3.11Å
43	N	75.9	Confident	63.1	Low	65 Å²	65	98.7 Å²	98.7	35%	0.348	56%	0.558	S	S	.	*			trans	-74.2	7.9	179	71.3	-13	0	0	0	113.9	P41 L45 Y83	P41-N43 PolarHBondContact O-N 3.3Å; N43-L45 PolarHBondContact O-N 2.56Å; N43-L45 PolarHBondContact OD1-N 3.49Å; N43-Y83 WeakPolarHBondContact O-CB 3.37Å; N43-Y83 PolarHBondContact O-N 2.94Å
44	W	84.9	Confident	64.3	Low	105 Å²	105	99.4 Å²	99.4	40%	0.398	55%	0.554	S	S	.	*	S	Bend	trans	63.9	0.6	176.8	-129.6	-114.3	0	0	0	117.5	T42 R46 Q47 C48 F84	T42-W44 PolarHBondContact O-N 3.29Å; T42-W44 VanDerWaalsContact O-N 3.11Å; W44-R46 VanDerWaalsContact C-N 3.33Å; W44-R46 PolarHBondContact O-N 2.8Å; W44-Q47 VanDerWaalsContact CA-OE1 3.28Å; W44-Q47 HydrophobicContact CD2-CB 4.1Å; W44-Q47 HydrophobicContact CD2-CG 3.88Å; W44-Q47 HydrophobicContact CE3-CG 4.32Å; W44-Q47 HydrophobicContact CG-CB 3.95Å; W44-Q47 HydrophobicContact CG-CG 4.24Å; W44-Q47 HydrophobicContact CZ2-CG 4.11Å; W44-Q47 WeakPolarHBondContact O-CB 3.17Å; W44-Q47 PolarHBondContact O-N 2.92Å; W44-Q47 VanDerWaalsContact O-N 3.1Å; W44-Q47 PolarHBondContact O-OE1 2.88Å; W44-C48 PolarHBondContact O-N 2.86Å; W44-C48 PolarHBondContact O-SG 2.94Å; W44-F84 HydrophobicContact CB-CD1 3.68Å; W44-F84 HydrophobicContact CB-CE1 3.98Å; W44-F84 HydrophobicContact CD2-CD1 4.08Å; W44-F84 HydrophobicContact CD2-CE1 4.22Å; W44-F84 HydrophobicContact CE3-CD1 4.38Å; W44-F84 HydrophobicContact CE3-CE1 4.06Å; W44-F84 AromaticContact CG-CD1 3.78Å; W44-F84 HydrophobicContact CG-CD1 3.78Å; W44-F84 HydrophobicContact CG-CE1 4.22Å
45	L	87.3	Confident	65.9	Low	26 Å²	26	100.3 Å²	100.3	14%	0.136	56%	0.561	C	S	.	*	H	α-helix	trans	-61.1	-39	-176.6	177.5	60.4	0	0	0	113.2	N43 Q47 C48 R49 A58 Y83 L95	N43-L45 PolarHBondContact O-N 2.56Å; N43-L45 PolarHBondContact OD1-N 3.49Å; L45-Q47 VanDerWaalsContact C-N 3.31Å; L45-Q47 PolarHBondContact O-N 3.12Å; L45-C48 PolarHBondContact O-N 3.49Å; L45-R49 WeakPolarHBondContact O-CG 3.31Å; L45-R49 PolarHBondContact O-N 2.81Å; L45-A58 HydrophobicContact CD1-CB 3.89Å; L45-A58 HydrophobicContact CD2-CB 4.05Å; L45-Y83 HydrophobicContact CB-CD2 3.96Å; L45-Y83 HydrophobicContact CB-CE2 4.37Å; L45-Y83 HydrophobicContact CB-CG 4.14Å; L45-Y83 HydrophobicContact CD1-CD1 3.79Å; L45-Y83 HydrophobicContact CD1-CD2 4.41Å; L45-Y83 HydrophobicContact CD1-CE1 3.81Å; L45-Y83 HydrophobicContact CD1-CE2 4.46Å; L45-Y83 HydrophobicContact CD1-CG 4.09Å; L45-Y83 HydrophobicContact CD2-CE2 4.49Å; L45-L95 HydrophobicContact CD1-CB 4.48Å; L45-L95 HydrophobicContact CD1-CD1 4.09Å
46	R	86.3	Confident	67.8	Low	213 Å²	213	96.1 Å²	96.1	80%	0.804	53%	0.53	S	S	*	.	H	α-helix	trans	-66.2	-37.3	178.1	-72.1	-174.3	178	-177.3	-1.4	111.5	W44 R49 A50	W44-R46 VanDerWaalsContact C-N 3.33Å; W44-R46 PolarHBondContact O-N 2.8Å; R46-R49 PolarHBondContact O-N 2.95Å; R46-A50 WeakPolarHBondContact O-CB 3.49Å; R46-A50 PolarHBondContact O-N 2.81Å
47	Q	87.7	Confident	70.3	Confident	69 Å²	69	97.9 Å²	97.9	32%	0.322	53%	0.532	S	S	.	.	H	α-helix	trans	-65.9	-44.7	177.1	-67.7	81	-15.8	0	0	110.3	W44 L45 R49 A50 S51	W44-Q47 VanDerWaalsContact CA-OE1 3.28Å; W44-Q47 HydrophobicContact CD2-CB 4.1Å; W44-Q47 HydrophobicContact CD2-CG 3.88Å; W44-Q47 HydrophobicContact CE3-CG 4.32Å; W44-Q47 HydrophobicContact CG-CB 3.95Å; W44-Q47 HydrophobicContact CG-CG 4.24Å; W44-Q47 HydrophobicContact CZ2-CG 4.11Å; W44-Q47 WeakPolarHBondContact O-CB 3.17Å; W44-Q47 PolarHBondContact O-N 2.92Å; W44-Q47 VanDerWaalsContact O-N 3.1Å; W44-Q47 PolarHBondContact O-OE1 2.88Å; L45-Q47 VanDerWaalsContact C-N 3.31Å; L45-Q47 PolarHBondContact O-N 3.12Å; Q47-R49 PolarHBondContact O-N 2.94Å; Q47-A50 PolarHBondContact O-N 2.93Å; Q47-A50 VanDerWaalsContact O-N 3.16Å; Q47-S51 WeakPolarHBondContact O-CB 3.07Å; Q47-S51 PolarHBondContact O-N 2.77Å; Q47-S51 PolarHBondContact O-OG 3.1Å
48	C	87.9	Confident	72.9	Confident	0 Å²	0	92.8 Å²	92.8	0%	0	50%	0.501	C	S	.	.	H	α-helix	trans	-58.9	-48	174.7	-65	0	0	0	0	112.2	W44 L45 A50 S51 T52 Y83 C86 L95	W44-C48 PolarHBondContact O-N 2.86Å; W44-C48 PolarHBondContact O-SG 2.94Å; L45-C48 PolarHBondContact O-N 3.49Å; C48-A50 PolarHBondContact O-N 2.87Å; C48-S51 WeakPolarHBondContact CA-OG 3.32Å; C48-S51 PolarHBondContact O-N 2.84Å; C48-S51 PolarHBondContact O-OG 3.3Å; C48-T52 PolarHBondContact O-N 2.71Å; C48-T52 PolarHBondContact O-OG1 2.99Å; C48-T52 VanDerWaalsContact O-OG1 3.12Å; C48-Y83 PolarHBondContact SG-O 2.88Å; C48-C86 WeakPolarHBondContact CA-SG 3.44Å; C48-C86 HydrophobicContact CB-CB 3.69Å; C48-C86 WeakPolarHBondContact CB-SG 3.19Å; C48-C86 WeakPolarHBondContact SG-CA 3.5Å; C48-C86 WeakPolarHBondContact SG-CB 3.34Å; C48-C86 CovalentContact SG-SG 2.04Å; C48-C86 PolarHBondContact SG-SG 3.43Å; C48-L95 HydrophobicContact CB-CD1 4.25Å; C48-L95 HydrophobicContact CB-CD2 4.3Å
49	R	87.1	Confident	75.5	Confident	119 Å²	119	88 Å²	88	45%	0.449	47%	0.471	S	S	.	.	H	α-helix	trans	-59.2	-34.3	176.2	-73.4	179.6	179.3	175.6	1.6	113.5	L45 R46 Q47 T52 L95	L45-R49 WeakPolarHBondContact O-CG 3.31Å; L45-R49 PolarHBondContact O-N 2.81Å; R46-R49 PolarHBondContact O-N 2.95Å; Q47-R49 PolarHBondContact O-N 2.94Å; R49-T52 PolarHBondContact O-OG1 3.24Å; R49-L95 HydrophobicContact CG-CD1 3.78Å
50	A	83.7	Confident	77.9	Confident	86 Å²	86	89.1 Å²	89.1	71%	0.711	46%	0.464	S	S	*	.	H	α-helix	trans	-76.8	-28.7	177	0	0	0	0	0	112.6	R46 Q47 C48	R46-A50 WeakPolarHBondContact O-CB 3.49Å; R46-A50 PolarHBondContact O-N 2.81Å; Q47-A50 PolarHBondContact O-N 2.93Å; Q47-A50 VanDerWaalsContact O-N 3.16Å; C48-A50 PolarHBondContact O-N 2.87Å
51	S	77.4	Confident	80.1	Confident	78 Å²	78	79.8 Å²	79.8	55%	0.545	43%	0.43	S	S	.	.	H	α-helix	trans	-82	-27.8	-179.5	69.1	0	0	0	0	113.7	Q47 C48	Q47-S51 WeakPolarHBondContact O-CB 3.07Å; Q47-S51 PolarHBondContact O-N 2.77Å; Q47-S51 PolarHBondContact O-OG 3.1Å; C48-S51 WeakPolarHBondContact CA-OG 3.32Å; C48-S51 PolarHBondContact O-N 2.84Å; C48-S51 PolarHBondContact O-OG 3.3Å
52	T	67.5	Low	82	Confident	37 Å²	37	76.4 Å²	76.4	23%	0.227	41%	0.406	C	S	.	.			trans	-82.1	116.7	176.5	51.2	0	0	0	0	109.5	C48 R49 I54 L56	C48-T52 PolarHBondContact O-N 2.71Å; C48-T52 PolarHBondContact O-OG1 2.99Å; C48-T52 VanDerWaalsContact O-OG1 3.12Å; R49-T52 PolarHBondContact O-OG1 3.24Å; T52-I54 PolarHBondContact O-N 3.04Å; T52-I54 PolarHBondContact OG1-O 3.45Å; T52-L56 HydrophobicContact CG2-CD1 4.41Å
53	N	61.3	Low	83.6	Confident	175 Å²	175	72.4 Å²	72.4	94%	0.936	38%	0.381	S	S	*	.	S	Bend	trans	-61.3	-6.7	174.4	-77	-28.2	0	0	0	113.9
54	I	63.3	Low	84.5	Confident	116 Å²	116	69.4 Å²	69.4	60%	0.595	37%	0.366	S	S	*	.	S	Bend	trans	-108.7	132.5	175.4	-57.9	169.7	0	0	0	106.6	T52 L56	T52-I54 PolarHBondContact O-N 3.04Å; T52-I54 PolarHBondContact OG1-O 3.45Å; I54-L56 HydrophobicContact CB-CD2 4.46Å; I54-L56 HydrophobicContact CB-CG 4.17Å; I54-L56 HydrophobicContact CG2-CD2 3.71Å; I54-L56 HydrophobicContact CG2-CG 3.9Å; I54-L56 PolarHBondContact O-N 3.14Å
55	S	71	Confident	85.1	Confident	119 Å²	119	65.1 Å²	65.1	83%	0.832	35%	0.354	S	S	*	.			trans	-72.6	63	177.7	70.9	0	0	0	0	111.6	T57	S55-T57 PolarHBondContact O-N 3.12Å
56	L	81.3	Confident	85.6	Confident	26 Å²	26	63.9 Å²	63.9	14%	0.136	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-66.3	131.1	179.7	-66.3	176.2	0	0	0	110	T52 I54 T88 G92 L95	T52-L56 HydrophobicContact CG2-CD1 4.41Å; I54-L56 HydrophobicContact CB-CD2 4.46Å; I54-L56 HydrophobicContact CB-CG 4.17Å; I54-L56 HydrophobicContact CG2-CD2 3.71Å; I54-L56 HydrophobicContact CG2-CG 3.9Å; I54-L56 PolarHBondContact O-N 3.14Å; L56-T88 HydrophobicContact CD1-CG2 3.89Å; L56-G92 WeakPolarHBondContact CD2-O 3.39Å; L56-L95 HydrophobicContact CB-CD1 4.41Å; L56-L95 HydrophobicContact CB-CG 4.15Å
57	T	88.1	Confident	86.1	Confident	81 Å²	81	53.9 Å²	53.9	50%	0.497	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	153.4	172.8	50.7	0	0	0	0	109.3	S55 Y94 L95	S55-T57 PolarHBondContact O-N 3.12Å; T57-Y94 CarbonylContact O-C 3.47Å; T57-Y94 VanDerWaalsContact O-CA 3.29Å; T57-Y94 WeakPolarHBondContact O-CA 3.46Å; T57-Y94 WeakPolarHBondContact OG1-CD1 3.33Å; T57-L95 PolarHBondContact O-N 3.03Å
58	A	90.8	Very high	86.6	Confident	20 Å²	20	50.7 Å²	50.7	17%	0.165	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	141.7	170.6	0	0	0	0	0	108.2	L45 E60	L45-A58 HydrophobicContact CD1-CB 3.89Å; L45-A58 HydrophobicContact CD2-CB 4.05Å; A58-E60 PolarHBondContact O-N 3.01Å
59	L	93.3	Very high	87.1	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.016	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-64.9	119.5	171.5	-172.2	61.8	0	0	0	108.6	L62 Y94 L95 I96 V102 V175 L316	L59-L62 HydrophobicContact CB-CD2 4.47Å; L59-L62 WeakPolarHBondContact O-CG 3.29Å; L59-Y94 HydrophobicContact CB-CG 4.26Å; L59-Y94 HydrophobicContact CD1-CD1 4.23Å; L59-Y94 HydrophobicContact CD1-CD2 4.33Å; L59-Y94 HydrophobicContact CD1-CG 4.13Å; L59-L95 PolarHBondContact N-O 3.46Å; L59-I96 HydrophobicContact CB-CG2 4.22Å; L59-I96 HydrophobicContact CD2-CG2 4.19Å; L59-V102 HydrophobicContact CD2-CG2 4.19Å; L59-V175 HydrophobicContact CD2-CG1 4.22Å; L59-V175 HydrophobicContact CD2-CG2 3.64Å; L59-L316 HydrophobicContact CD1-CD1 4.08Å
60	E	91.6	Very high	87.5	Confident	135 Å²	135	45 Å²	45	63%	0.631	27%	0.274	S	S	*	.			trans	-83.2	-18.3	-176.9	64.5	-174.4	169.7	0	0	113.3	A58 L62	A58-E60 PolarHBondContact O-N 3.01Å; E60-L62 PolarHBondContact O-N 3.27Å
61	V	95.1	Very high	88.2	Confident	9 Å²	9	43.1 Å²	43.1	6%	0.055	25%	0.248	C	C	.	.			trans	-91.3	95	-179.3	-171.6	0	0	0	0	109.4	I225 A227 L316 A318	V61-I225 HydrophobicContact CG1-CB 4.08Å; V61-I225 HydrophobicContact CG1-CD1 4.39Å; V61-I225 HydrophobicContact CG1-CG2 3.28Å; V61-A227 HydrophobicContact CB-CB 3.88Å; V61-A227 HydrophobicContact CG1-CB 3.76Å; V61-A227 HydrophobicContact CG2-CB 4.13Å; V61-L316 HydrophobicContact CG2-CB 4.11Å; V61-L316 WeakPolarHBondContact CG2-O 3.29Å; V61-A318 HydrophobicContact CG1-CB 4.08Å
62	L	96.3	Very high	89.1	Confident	36 Å²	36	40.3 Å²	40.3	19%	0.188	23%	0.227	C	C	.	.			trans	-125.2	137.5	-171.9	-61.1	176.1	0	0	0	112.5	L59 E60 L81 P97 I225	L59-L62 HydrophobicContact CB-CD2 4.47Å; L59-L62 WeakPolarHBondContact O-CG 3.29Å; E60-L62 PolarHBondContact O-N 3.27Å; L62-L81 HydrophobicContact CD1-CD1 4.01Å; L62-P97 HydrophobicContact CD1-CG 3.84Å; L62-P97 HydrophobicContact CD2-CG 3.76Å; L62-P97 HydrophobicContact CG-CG 4.41Å; L62-I225 VanDerWaalsContact C-CD1 3.42Å; L62-I225 WeakPolarHBondContact O-CD1 3.25Å
63	P	97	Very high	90.5	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.013	24%	0.237	C	C	.	.	S	Bend	trans	-74.3	-178.6	172.1	32.4	-34.3	0	0	0	111.3	M79 V100 V175 A177 I225	P63-M79 HydrophobicContact CG-CE 4.32Å; P63-M79 WeakPolarHBondContact O-CE 3.47Å; P63-V100 HydrophobicContact CG-CG2 4.15Å; P63-V175 HydrophobicContact CG-CG1 4.27Å; P63-A177 HydrophobicContact CB-CB 4.38Å; P63-A177 HydrophobicContact CG-CB 4.1Å; P63-I225 HydrophobicContact CB-CG1 4.37Å
64	G	95.4	Very high	92.2	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.021	22%	0.216	C	C	.	.			trans	88.9	1.9	176.4	0	0	0	0	0	114.8	V78 M79 I222	G64-V78 PolarHBondContact O-N 2.97Å; G64-M79 VanDerWaalsContact CA-CB 3.46Å; G64-M79 PolarHBondContact O-N 2.84Å; G64-I222 WeakPolarHBondContact CA-O 3.46Å; G64-I222 PolarHBondContact N-O 3.05Å
65	G	96.9	Very high	93.8	Very high	16 Å²	16	35.1 Å²	35.1	17%	0.165	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	147.6	167.3	0	0	0	0	0	112	I222	G65-I222 PolarHBondContact O-N 3.39Å
66	G	98	Very high	95	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	156.4	165.1	0	0	0	0	0	111.6	M75 G76 Y217 H220	G66-M75 PolarHBondContact O-N 2.9Å; G66-G76 WeakPolarHBondContact CA-O 3.36Å; G66-G76 PolarHBondContact N-O 3.42Å; G66-Y217 CarbonylContact C-O 3.54Å; G66-Y217 WeakPolarHBondContact CA-O 3.34Å; G66-H220 CarbonylContact C-O 3.55Å; G66-H220 WeakPolarHBondContact CA-O 3.31Å
67	W	98.1	Very high	95.6	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.011	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	130.1	-174.1	179.5	-104.5	0	0	0	112.4	N69 N72 L73 D74 I131 Y217 T219 H220 I222 R321	W67-N69 PolarHBondContact NE1-OD1 2.83Å; W67-N72 HydrophobicContact CH2-CB 3.83Å; W67-N72 WeakPolarHBondContact CH2-O 3.36Å; W67-N72 HydrophobicContact CZ2-CB 3.53Å; W67-L73 VanDerWaalsContact CE3-O 3.3Å; W67-L73 VanDerWaalsContact CZ3-C 3.47Å; W67-D74 WeakPolarHBondContact CZ3-OD1 3.45Å; W67-I131 HydrophobicContact CB-CD1 4.26Å; W67-I131 VanDerWaalsContact CD1-CD1 3.46Å; W67-I131 HydrophobicContact CG-CD1 3.89Å; W67-I131 HydrophobicContact CZ2-CG2 4.33Å; W67-Y217 PolarHBondContact N-O 3.37Å; W67-T219 PolarHBondContact O-N 3.15Å; W67-T219 PolarHBondContact O-OG1 3.3Å; W67-H220 HydrophobicContact CB-CB 4.27Å; W67-H220 PolarHBondContact N-O 3.18Å; W67-H220 PolarHBondContact O-N 3.18Å; W67-I222 HydrophobicContact CB-CD1 4.13Å; W67-I222 HydrophobicContact CB-CG1 3.88Å; W67-I222 HydrophobicContact CD2-CD1 4.32Å; W67-I222 HydrophobicContact CE3-CD1 3.88Å; W67-I222 HydrophobicContact CG-CD1 4.48Å; W67-I222 HydrophobicContact CG-CG1 4.38Å; W67-R321 VanDerWaalsContact CZ3-NE 3.3Å
68	D	98.1	Very high	96	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	107.3	168	-171.5	-38.3	0	0	0	110.4	L70 R71 N72 L73 M75 Y357	D68-L70 VanDerWaalsContact C-N 3.3Å; D68-L70 PolarHBondContact O-N 3.32Å; D68-L70 WeakPolarHBondContact OD1-CB 3.41Å; D68-L70 PolarHBondContact OD1-N 3.39Å; D68-R71 HydrophobicContact CB-CB 4.5Å; D68-R71 PolarHBondContact O-N 3Å; D68-R71 PolarHBondContact OD1-N 3.14Å; D68-R71 IonicContact OD2-CZ 3.53Å; D68-R71 IonicContact OD2-NE 3.96Å; D68-R71 PolarHBondContact OD2-NE 3.32Å; D68-R71 IonicContact OD2-NH2 3.55Å; D68-R71 PolarHBondContact OD2-NH2 3.09Å; D68-N72 VanDerWaalsContact O-CA 3.3Å; D68-N72 WeakPolarHBondContact O-CA 3.5Å; D68-N72 PolarHBondContact O-N 3.07Å; D68-L73 PolarHBondContact N-O 3.14Å; D68-L73 PolarHBondContact O-N 3.45Å; D68-M75 HydrophobicContact CB-CE 3.69Å; D68-M75 HydrophobicContact CB-CG 4.16Å; D68-M75 HydrophobicContact CB-SD 4.18Å; D68-Y357 PolarHBondContact OD1-OH 2.92Å; D68-Y357 PolarHBondContact OD2-OH 3.47Å
69	N	97.3	Very high	96.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-11.7	-174.4	-142.3	25.6	0	0	0	114	W67 N72 I131 N132 N142 A143 T219	W67-N69 PolarHBondContact NE1-OD1 2.83Å; N69-N72 PolarHBondContact O-OD1 3.32Å; N69-I131 PolarHBondContact ND2-O 2.95Å; N69-N132 PolarHBondContact OD1-OD1 2.76Å; N69-N132 VanDerWaalsContact OD1-OD1 3.08Å; N69-N142 PolarHBondContact ND2-ND2 3.2Å; N69-N142 PolarHBondContact ND2-OD1 2.98Å; N69-N142 WeakPolarHBondContact O-CA 3.43Å; N69-A143 PolarHBondContact O-N 3.16Å; N69-T219 PolarHBondContact N-OG1 3.38Å
70	L	97.1	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-39.8	174.2	-63.2	-169.5	0	0	0	111	D68 L141 A143 F145 S146 Y357 Y358 N361 I603	D68-L70 VanDerWaalsContact C-N 3.3Å; D68-L70 PolarHBondContact O-N 3.32Å; D68-L70 WeakPolarHBondContact OD1-CB 3.41Å; D68-L70 PolarHBondContact OD1-N 3.39Å; L70-L141 HydrophobicContact CD1-CD2 4.04Å; L70-L141 HydrophobicContact CD2-CB 3.91Å; L70-L141 HydrophobicContact CD2-CD2 3.74Å; L70-L141 HydrophobicContact CD2-CG 3.67Å; L70-L141 WeakPolarHBondContact CD2-O 3.31Å; L70-A143 CarbonylContact O-C 3.59Å; L70-F145 HydrophobicContact CB-CD2 4.16Å; L70-F145 CarbonylContact O-C 3.53Å; L70-F145 WeakPolarHBondContact O-CA 3.42Å; L70-F145 WeakPolarHBondContact O-CB 3.42Å; L70-F145 PolarHBondContact O-N 2.9Å; L70-S146 PolarHBondContact O-N 2.5Å; L70-Y357 HydrophobicContact CB-CE1 4.45Å; L70-Y357 HydrophobicContact CD1-CD1 4Å; L70-Y357 HydrophobicContact CD1-CD2 4.44Å; L70-Y357 HydrophobicContact CD1-CE1 3.69Å; L70-Y357 HydrophobicContact CD1-CE2 4.17Å; L70-Y357 HydrophobicContact CD1-CG 4.4Å; L70-Y357 HydrophobicContact CG-CE1 4.05Å; L70-Y358 HydrophobicContact CD2-CD1 3.77Å; L70-Y358 HydrophobicContact CD2-CE1 3.39Å; L70-Y358 HydrophobicContact CD2-CE2 4.29Å; L70-Y358 HydrophobicContact CD2-CG 4.36Å; L70-Y358 HydrophobicContact CG-CE1 4.31Å; L70-Y358 HydrophobicContact CG-CE2 4.37Å; L70-N361 HydrophobicContact CD1-CB 4.13Å; L70-I603 HydrophobicContact CB-CD1 3.76Å; L70-I603 HydrophobicContact CD1-CD1 4.05Å
71	R	97.1	Very high	96.2	Very high	46 Å²	46	28.7 Å²	28.7	17%	0.174	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-16.9	-176.9	-63.3	-177.1	-75.5	170.2	-2	114.1	D68 L73 F145 S146 I603	D68-R71 HydrophobicContact CB-CB 4.5Å; D68-R71 PolarHBondContact O-N 3Å; D68-R71 PolarHBondContact OD1-N 3.14Å; D68-R71 IonicContact OD2-CZ 3.53Å; D68-R71 IonicContact OD2-NE 3.96Å; D68-R71 PolarHBondContact OD2-NE 3.32Å; D68-R71 IonicContact OD2-NH2 3.55Å; D68-R71 PolarHBondContact OD2-NH2 3.09Å; R71-L73 HydrophobicContact CB-CB 4.36Å; R71-L73 HydrophobicContact CB-CD1 3.8Å; R71-L73 HydrophobicContact CB-CG 3.87Å; R71-F145 HydrophobicContact CG-CB 4.28Å; R71-S146 WeakPolarHBondContact O-CA 3.33Å; R71-I603 HydrophobicContact CG-CD1 3.64Å; R71-I603 HydrophobicContact CG-CG2 4.13Å
72	N	97	Very high	96.1	Very high	19 Å²	19	28.8 Å²	28.8	10%	0.102	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	57.7	-167.5	-66.3	3	0	0	0	112.5	W67 D68 N69 S125 S128 N132	W67-N72 HydrophobicContact CH2-CB 3.83Å; W67-N72 WeakPolarHBondContact CH2-O 3.36Å; W67-N72 HydrophobicContact CZ2-CB 3.53Å; D68-N72 VanDerWaalsContact O-CA 3.3Å; D68-N72 WeakPolarHBondContact O-CA 3.5Å; D68-N72 PolarHBondContact O-N 3.07Å; N69-N72 PolarHBondContact O-OD1 3.32Å; N72-S125 PolarHBondContact ND2-OG 3.41Å; N72-S128 PolarHBondContact ND2-OG 3.21Å; N72-N132 PolarHBondContact ND2-ND2 2.85Å; N72-N132 PolarHBondContact OD1-ND2 3.46Å; N72-N132 PolarHBondContact OD1-OD1 3.45Å
73	L	96.8	Very high	96	Very high	83 Å²	83	27.5 Å²	27.5	44%	0.435	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.4	-178.1	-67.7	177.1	0	0	0	111.6	W67 D68 R71 M75	W67-L73 VanDerWaalsContact CE3-O 3.3Å; W67-L73 VanDerWaalsContact CZ3-C 3.47Å; D68-L73 PolarHBondContact N-O 3.14Å; D68-L73 PolarHBondContact O-N 3.45Å; R71-L73 HydrophobicContact CB-CB 4.36Å; R71-L73 HydrophobicContact CB-CD1 3.8Å; R71-L73 HydrophobicContact CB-CG 3.87Å; L73-M75 HydrophobicContact CB-CE 3.24Å; L73-M75 HydrophobicContact CD1-CE 4.37Å; L73-M75 HydrophobicContact CG-CE 4.45Å; L73-M75 VanDerWaalsContact O-CE 3.25Å; L73-M75 WeakPolarHBondContact O-CE 3.3Å
74	D	96.8	Very high	95.7	Very high	93 Å²	93	33 Å²	33	50%	0.497	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	133.2	171.7	-63.9	-62.3	0	0	0	110.3	W67 I222 R321	W67-D74 WeakPolarHBondContact CZ3-OD1 3.45Å; D74-I222 VanDerWaalsContact OD1-CD1 3.29Å; D74-I222 WeakPolarHBondContact OD1-CD1 3.34Å; D74-R321 IonicContact OD1-NE 2.77Å; D74-R321 PolarHBondContact OD1-NE 3.32Å; D74-R321 IonicContact OD1-NH2 2.77Å; D74-R321 IonicContact OD2-CZ 3.63Å; D74-R321 IonicContact OD2-NE 3.51Å; D74-R321 IonicContact OD2-NH2 3.33Å; D74-R321 PolarHBondContact OD2-NH2 3.35Å
75	M	97.3	Very high	95.5	Very high	43 Å²	43	39.4 Å²	39.4	21%	0.212	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	-160.5	-175.1	-59.2	-70.6	124.7	0	0	111.2	G66 D68 L73 Y217	G66-M75 PolarHBondContact O-N 2.9Å; D68-M75 HydrophobicContact CB-CE 3.69Å; D68-M75 HydrophobicContact CB-CG 4.16Å; D68-M75 HydrophobicContact CB-SD 4.18Å; L73-M75 HydrophobicContact CB-CE 3.24Å; L73-M75 HydrophobicContact CD1-CE 4.37Å; L73-M75 HydrophobicContact CG-CE 4.45Å; L73-M75 VanDerWaalsContact O-CE 3.25Å; L73-M75 WeakPolarHBondContact O-CE 3.3Å; M75-Y217 VanDerWaalsContact CB-C 3.44Å
76	G	95.3	Very high	95.2	Very high	25 Å²	25	40.3 Å²	40.3	26%	0.258	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	155.9	176	0	0	0	0	0	113.8	G66 D216	G66-G76 WeakPolarHBondContact CA-O 3.36Å; G66-G76 PolarHBondContact N-O 3.42Å; G76-D216 WeakPolarHBondContact CA-O 3.39Å; G76-D216 PolarHBondContact N-O 3.11Å
77	R	94.9	Very high	95	Very high	142 Å²	142	42.6 Å²	42.6	54%	0.536	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	128.6	179.8	-64.3	-168.5	-57.9	-161.7	5.4	111.9	Y217	R77-Y217 VanDerWaalsContact O-CE1 3.23Å; R77-Y217 WeakPolarHBondContact O-CE1 3.48Å
78	V	96.5	Very high	94.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.226	C	C	.	.			trans	-100.6	-34.2	177.7	178.3	0	0	0	0	111.4	G64 L183 D184 F187 Y217 V221 I326	G64-V78 PolarHBondContact O-N 2.97Å; V78-L183 HydrophobicContact CG1-CD2 4.18Å; V78-L183 CarbonylContact O-C 3.55Å; V78-L183 WeakPolarHBondContact O-CA 3.29Å; V78-D184 PolarHBondContact O-N 2.98Å; V78-F187 HydrophobicContact CB-CD2 4.46Å; V78-F187 HydrophobicContact CG1-CD1 3.92Å; V78-F187 HydrophobicContact CG1-CD2 4.08Å; V78-F187 HydrophobicContact CG1-CE1 3.92Å; V78-F187 HydrophobicContact CG1-CE2 4.09Å; V78-F187 HydrophobicContact CG1-CG 3.99Å; V78-F187 HydrophobicContact CG1-CZ 4.01Å; V78-F187 HydrophobicContact CG2-CD2 3.97Å; V78-F187 HydrophobicContact CG2-CE2 4.16Å; V78-Y217 HydrophobicContact CG2-CD1 3.72Å; V78-Y217 HydrophobicContact CG2-CG 4.3Å; V78-V221 HydrophobicContact CB-CG1 4.03Å; V78-V221 HydrophobicContact CB-CG2 4.11Å; V78-V221 HydrophobicContact CG1-CG1 4.27Å; V78-V221 HydrophobicContact CG1-CG2 3.95Å; V78-V221 HydrophobicContact CG2-CG2 3.96Å; V78-I326 HydrophobicContact CG2-CD1 4.31Å
79	M	95.4	Very high	94.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-89.8	143.2	174.5	-174.3	165.2	84.1	0	0	111.5	P63 G64 L81 E99 V100 A177 F181	P63-M79 HydrophobicContact CG-CE 4.32Å; P63-M79 WeakPolarHBondContact O-CE 3.47Å; G64-M79 VanDerWaalsContact CA-CB 3.46Å; G64-M79 PolarHBondContact O-N 2.84Å; M79-L81 HydrophobicContact CE-CD2 3.36Å; M79-E99 HydrophobicContact SD-CB 4.49Å; M79-V100 HydrophobicContact CE-CG2 3.71Å; M79-A177 HydrophobicContact CE-CB 4.1Å; M79-A177 HydrophobicContact SD-CB 3.56Å; M79-A177 VanDerWaalsContact SD-CB 3.56Å; M79-F181 HydrophobicContact CB-CD2 3.68Å; M79-F181 HydrophobicContact CB-CE2 3.68Å; M79-F181 HydrophobicContact CB-CG 4.4Å; M79-F181 HydrophobicContact CB-CZ 4.45Å; M79-F181 HydrophobicContact CG-CB 3.93Å; M79-F181 HydrophobicContact CG-CD2 3.36Å; M79-F181 HydrophobicContact CG-CE2 3.92Å; M79-F181 HydrophobicContact CG-CG 3.74Å; M79-F181 HydrophobicContact SD-CB 3.57Å; M79-F181 VanDerWaalsContact SD-CB 3.57Å; M79-F181 HydrophobicContact SD-CD1 3.87Å; M79-F181 HydrophobicContact SD-CD2 3.75Å; M79-F181 HydrophobicContact SD-CE1 4.49Å; M79-F181 HydrophobicContact SD-CE2 4.34Å; M79-F181 HydrophobicContact SD-CG 3.48Å; M79-F181 WeakPolarHBondContact SD-CG 3.39Å
80	N	93.1	Very high	94.2	Very high	59 Å²	59	53.8 Å²	53.8	32%	0.316	27%	0.266	S	S	.	.			trans	-78.6	130.1	169.4	-177.6	29.6	0	0	0	110.2	T182	N80-T182 WeakPolarHBondContact CB-O 3.36Å; N80-T182 PolarHBondContact N-O 3.41Å
81	L	92.1	Very high	93.9	Very high	24 Å²	24	56.5 Å²	56.5	13%	0.126	28%	0.28	C	S	.	.			trans	-111.9	99.7	-179.1	-64.7	176.5	0	0	0	110	L62 M79 P97	L62-L81 HydrophobicContact CD1-CD1 4.01Å; M79-L81 HydrophobicContact CE-CD2 3.36Å; L81-P97 HydrophobicContact CD2-CB 4.06Å; L81-P97 HydrophobicContact CD2-CG 3.9Å
82	S	92.8	Very high	93.5	Very high	10 Å²	10	55.8 Å²	55.8	7%	0.07	29%	0.287	C	S	.	.			trans	-108.9	155.9	173.7	60.2	0	0	0	0	112.3	F84 P97 D98	S82-F84 VanDerWaalsContact CB-CD2 3.46Å; S82-F84 VanDerWaalsContact CB-CE2 3.41Å; S82-P97 CarbonylContact O-C 3.56Å; S82-P97 WeakPolarHBondContact O-CA 3.5Å; S82-P97 WeakPolarHBondContact O-CB 3.48Å; S82-D98 VanDerWaalsContact C-OD2 3.24Å; S82-D98 WeakPolarHBondContact CB-OD2 3.49Å; S82-D98 PolarHBondContact O-N 3.47Å; S82-D98 PolarHBondContact OG-OD2 2.92Å
83	Y	92.9	Very high	93.1	Very high	10 Å²	10	58.5 Å²	58.5	4%	0.039	30%	0.302	C	S	.	.			trans	-127.9	37	176.8	-66.5	-102.7	0	0	0	110.6	N43 L45 C48 Q85 C86 L95 I96 P97 D98	N43-Y83 WeakPolarHBondContact O-CB 3.37Å; N43-Y83 PolarHBondContact O-N 2.94Å; L45-Y83 HydrophobicContact CB-CD2 3.96Å; L45-Y83 HydrophobicContact CB-CE2 4.37Å; L45-Y83 HydrophobicContact CB-CG 4.14Å; L45-Y83 HydrophobicContact CD1-CD1 3.79Å; L45-Y83 HydrophobicContact CD1-CD2 4.41Å; L45-Y83 HydrophobicContact CD1-CE1 3.81Å; L45-Y83 HydrophobicContact CD1-CE2 4.46Å; L45-Y83 HydrophobicContact CD1-CG 4.09Å; L45-Y83 HydrophobicContact CD2-CE2 4.49Å; C48-Y83 PolarHBondContact SG-O 2.88Å; Y83-Q85 PolarHBondContact O-N 2.81Å; Y83-C86 PolarHBondContact O-N 2.7Å; Y83-L95 HydrophobicContact CE1-CB 4.43Å; Y83-I96 WeakPolarHBondContact CD1-O 3.2Å; Y83-P97 HydrophobicContact CE1-CG 4.14Å; Y83-P97 HydrophobicContact CE2-CB 4.41Å; Y83-P97 HydrophobicContact CE2-CG 4.13Å; Y83-D98 PolarHBondContact N-OD2 3.5Å
84	F	91.4	Very high	92.9	Very high	118 Å²	118	55.4 Å²	55.4	52%	0.518	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-26.8	-175.6	-63.6	-61.8	0	0	0	112.9	W44 S82 D98	W44-F84 HydrophobicContact CB-CD1 3.68Å; W44-F84 HydrophobicContact CB-CE1 3.98Å; W44-F84 HydrophobicContact CD2-CD1 4.08Å; W44-F84 HydrophobicContact CD2-CE1 4.22Å; W44-F84 HydrophobicContact CE3-CD1 4.38Å; W44-F84 HydrophobicContact CE3-CE1 4.06Å; W44-F84 AromaticContact CG-CD1 3.78Å; W44-F84 HydrophobicContact CG-CD1 3.78Å; W44-F84 HydrophobicContact CG-CE1 4.22Å; S82-F84 VanDerWaalsContact CB-CD2 3.46Å; S82-F84 VanDerWaalsContact CB-CE2 3.41Å; F84-D98 PolarHBondContact N-OD1 3.05Å; F84-D98 VanDerWaalsContact N-OD1 3.11Å; F84-D98 PolarHBondContact N-OD2 3.45Å
85	Q	90.9	Very high	92.8	Very high	135 Å²	135	51 Å²	51	63%	0.631	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-4	-178.5	-58.7	180	8.4	0	0	112.9	Y83 Q87 D98	Y83-Q85 PolarHBondContact O-N 2.81Å; Q85-Q87 HydrophobicContact CB-CG 3.89Å; Q85-Q87 PolarHBondContact O-N 2.94Å; Q85-Q87 VanDerWaalsContact O-N 3.14Å; Q85-D98 VanDerWaalsContact CB-OD1 3.31Å; Q85-D98 WeakPolarHBondContact CB-OD1 3.37Å; Q85-D98 PolarHBondContact N-OD1 3.41Å
86	C	91.3	Very high	92.6	Very high	36 Å²	36	49.2 Å²	49.2	24%	0.243	25%	0.252	C	S	.	.			trans	48.3	38.8	-177.3	-55.8	0	0	0	0	113.5	C48 Y83	C48-C86 WeakPolarHBondContact CA-SG 3.44Å; C48-C86 HydrophobicContact CB-CB 3.69Å; C48-C86 WeakPolarHBondContact CB-SG 3.19Å; C48-C86 WeakPolarHBondContact SG-CA 3.5Å; C48-C86 WeakPolarHBondContact SG-CB 3.34Å; C48-C86 CovalentContact SG-SG 2.04Å; C48-C86 PolarHBondContact SG-SG 3.43Å; Y83-C86 PolarHBondContact O-N 2.7Å
87	Q	92.1	Very high	92.6	Very high	47 Å²	47	48 Å²	48	22%	0.22	24%	0.24	C	C	.	.			trans	-60.4	149.6	-179.9	-65.2	-176.3	36.4	0	0	111	Q85 L95 I96 D98	Q85-Q87 HydrophobicContact CB-CG 3.89Å; Q85-Q87 PolarHBondContact O-N 2.94Å; Q85-Q87 VanDerWaalsContact O-N 3.14Å; Q87-L95 WeakPolarHBondContact O-CA 3.46Å; Q87-I96 HydrophobicContact CB-CD1 4.33Å; Q87-I96 HydrophobicContact CB-CG1 3.73Å; Q87-I96 PolarHBondContact O-N 2.95Å; Q87-D98 PolarHBondContact NE2-O 3.05Å
88	T	93.1	Very high	92.6	Very high	60 Å²	60	41.9 Å²	41.9	37%	0.368	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-122.6	164.4	173.6	61.8	0	0	0	0	110.9	L56 Y94 L95	L56-T88 HydrophobicContact CD1-CG2 3.89Å; T88-Y94 CarbonylContact C-O 3.59Å; T88-Y94 WeakPolarHBondContact CA-O 3.46Å; T88-Y94 WeakPolarHBondContact CB-O 3.42Å; T88-L95 HydrophobicContact CG2-CD2 3.94Å
89	T	92.9	Very high	92.4	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.025	23%	0.227	C	C	.	.			trans	-57.6	155	161	55.6	0	0	0	0	110.4	D91 G92 L93 Y94 I96 V102	T89-D91 WeakPolarHBondContact CB-OD1 3.33Å; T89-D91 PolarHBondContact O-N 3.48Å; T89-D91 PolarHBondContact OG1-OD1 3.28Å; T89-G92 WeakPolarHBondContact O-CA 3.35Å; T89-G92 PolarHBondContact O-N 3.27Å; T89-L93 PolarHBondContact OG1-N 3.44Å; T89-Y94 HydrophobicContact CG2-CD2 4.11Å; T89-Y94 PolarHBondContact N-O 3.16Å; T89-Y94 PolarHBondContact OG1-N 2.76Å; T89-I96 HydrophobicContact CG2-CG2 3.86Å; T89-V102 HydrophobicContact CG2-CB 4.26Å; T89-V102 HydrophobicContact CG2-CG1 4.22Å; T89-V102 HydrophobicContact CG2-CG2 4.14Å
90	E	91.4	Very high	92.5	Very high	175 Å²	175	43.9 Å²	43.9	82%	0.818	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.1	-179	-65	-175.2	160	0	0	113	G92	E90-G92 VanDerWaalsContact C-N 3.27Å
91	D	90	Very high	92.6	Very high	57 Å²	57	44.1 Å²	44.1	31%	0.305	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	2.6	174.5	60.3	5.5	0	0	0	114	T89 L93 K106 Y173	T89-D91 WeakPolarHBondContact CB-OD1 3.33Å; T89-D91 PolarHBondContact O-N 3.48Å; T89-D91 PolarHBondContact OG1-OD1 3.28Å; D91-L93 VanDerWaalsContact C-N 3.28Å; D91-L93 HydrophobicContact CB-CG 4.45Å; D91-L93 PolarHBondContact O-N 3.35Å; D91-L93 PolarHBondContact OD1-N 2.98Å; D91-K106 IonicContact OD2-NZ 3.98Å; D91-Y173 PolarHBondContact OD2-OH 3.1Å
92	G	89.7	Confident	92.9	Very high	31 Å²	31	43.9 Å²	43.9	32%	0.32	23%	0.225	S	C	.	.	S	Bend	trans	68.8	20.3	173.6	0	0	0	0	0	114.6	L56 T89 E90	L56-G92 WeakPolarHBondContact CD2-O 3.39Å; T89-G92 WeakPolarHBondContact O-CA 3.35Å; T89-G92 PolarHBondContact O-N 3.27Å; E90-G92 VanDerWaalsContact C-N 3.27Å
93	L	89.1	Confident	93	Very high	76 Å²	76	46.2 Å²	46.2	40%	0.398	24%	0.236	S	C	.	.	S	Bend	trans	-88.7	-33.4	-176.1	-66.7	-179.2	0	0	0	113.9	T89 D91	T89-L93 PolarHBondContact OG1-N 3.44Å; D91-L93 VanDerWaalsContact C-N 3.28Å; D91-L93 HydrophobicContact CB-CG 4.45Å; D91-L93 PolarHBondContact O-N 3.35Å; D91-L93 PolarHBondContact OD1-N 2.98Å
94	Y	92.3	Very high	93.1	Very high	18 Å²	18	48.5 Å²	48.5	7%	0.071	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.2	-177.3	-50.5	-89.8	0	0	0	112.5	T57 L59 T88 T89 Y173 K313 L316	T57-Y94 CarbonylContact O-C 3.47Å; T57-Y94 VanDerWaalsContact O-CA 3.29Å; T57-Y94 WeakPolarHBondContact O-CA 3.46Å; T57-Y94 WeakPolarHBondContact OG1-CD1 3.33Å; L59-Y94 HydrophobicContact CB-CG 4.26Å; L59-Y94 HydrophobicContact CD1-CD1 4.23Å; L59-Y94 HydrophobicContact CD1-CD2 4.33Å; L59-Y94 HydrophobicContact CD1-CG 4.13Å; T88-Y94 CarbonylContact C-O 3.59Å; T88-Y94 WeakPolarHBondContact CA-O 3.46Å; T88-Y94 WeakPolarHBondContact CB-O 3.42Å; T89-Y94 HydrophobicContact CG2-CD2 4.11Å; T89-Y94 PolarHBondContact N-O 3.16Å; T89-Y94 PolarHBondContact OG1-N 2.76Å; Y94-Y173 HydrophobicContact CD2-CE2 4.16Å; Y94-Y173 AromaticContact CE2-CE2 3.63Å; Y94-Y173 HydrophobicContact CE2-CE2 3.63Å; Y94-K313 PolarHBondContact OH-O 2.8Å; Y94-L316 HydrophobicContact CE2-CD1 4.27Å
95	L	93.4	Very high	93.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	136.4	161.8	-68.9	164.6	0	0	0	109.9	L45 C48 R49 L56 T57 L59 Y83 Q87 T88	L45-L95 HydrophobicContact CD1-CB 4.48Å; L45-L95 HydrophobicContact CD1-CD1 4.09Å; C48-L95 HydrophobicContact CB-CD1 4.25Å; C48-L95 HydrophobicContact CB-CD2 4.3Å; R49-L95 HydrophobicContact CG-CD1 3.78Å; L56-L95 HydrophobicContact CB-CD1 4.41Å; L56-L95 HydrophobicContact CB-CG 4.15Å; T57-L95 PolarHBondContact O-N 3.03Å; L59-L95 PolarHBondContact N-O 3.46Å; Y83-L95 HydrophobicContact CE1-CB 4.43Å; Q87-L95 WeakPolarHBondContact O-CA 3.46Å; T88-L95 HydrophobicContact CG2-CD2 3.94Å
96	I	94.8	Very high	93.1	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.031	24%	0.239	C	C	.	.			trans	-124.7	151.4	178.5	63.2	176.6	0	0	0	110.9	L59 Y83 Q87 T89 V102	L59-I96 HydrophobicContact CB-CG2 4.22Å; L59-I96 HydrophobicContact CD2-CG2 4.19Å; Y83-I96 WeakPolarHBondContact CD1-O 3.2Å; Q87-I96 HydrophobicContact CB-CD1 4.33Å; Q87-I96 HydrophobicContact CB-CG1 3.73Å; Q87-I96 PolarHBondContact O-N 2.95Å; T89-I96 HydrophobicContact CG2-CG2 3.86Å; I96-V102 HydrophobicContact CD1-CG2 4.17Å; I96-V102 HydrophobicContact CG2-CG2 3.91Å
97	P	95.4	Very high	92.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.			trans	-63	157	174.6	-18.2	28.4	0	0	0	113	L62 L81 S82 Y83 E99 V100	L62-P97 HydrophobicContact CD1-CG 3.84Å; L62-P97 HydrophobicContact CD2-CG 3.76Å; L62-P97 HydrophobicContact CG-CG 4.41Å; L81-P97 HydrophobicContact CD2-CB 4.06Å; L81-P97 HydrophobicContact CD2-CG 3.9Å; S82-P97 CarbonylContact O-C 3.56Å; S82-P97 WeakPolarHBondContact O-CA 3.5Å; S82-P97 WeakPolarHBondContact O-CB 3.48Å; Y83-P97 HydrophobicContact CE1-CG 4.14Å; Y83-P97 HydrophobicContact CE2-CB 4.41Å; Y83-P97 HydrophobicContact CE2-CG 4.13Å; P97-E99 VanDerWaalsContact C-N 3.27Å; P97-E99 PolarHBondContact O-N 2.8Å; P97-V100 HydrophobicContact CB-CB 4.29Å; P97-V100 HydrophobicContact CB-CG2 4.02Å; P97-V100 HydrophobicContact CG-CB 4.35Å; P97-V100 HydrophobicContact CG-CG2 4.01Å; P97-V100 PolarHBondContact O-N 3.44Å
98	D	93.3	Very high	92.4	Very high	14 Å²	14	51.3 Å²	51.3	8%	0.075	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-34	-176.8	-51.4	-41.1	0	0	0	112.8	S82 Y83 F84 Q85 Q87 V100	S82-D98 VanDerWaalsContact C-OD2 3.24Å; S82-D98 WeakPolarHBondContact CB-OD2 3.49Å; S82-D98 PolarHBondContact O-N 3.47Å; S82-D98 PolarHBondContact OG-OD2 2.92Å; Y83-D98 PolarHBondContact N-OD2 3.5Å; F84-D98 PolarHBondContact N-OD1 3.05Å; F84-D98 VanDerWaalsContact N-OD1 3.11Å; F84-D98 PolarHBondContact N-OD2 3.45Å; Q85-D98 VanDerWaalsContact CB-OD1 3.31Å; Q85-D98 WeakPolarHBondContact CB-OD1 3.37Å; Q85-D98 PolarHBondContact N-OD1 3.41Å; Q87-D98 PolarHBondContact NE2-O 3.05Å; D98-V100 VanDerWaalsContact C-N 3.29Å; D98-V100 PolarHBondContact O-N 3.03Å
99	E	93.9	Very high	91.7	Very high	41 Å²	41	50.1 Å²	50.1	19%	0.192	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	16.7	-176.3	-58.6	-70.7	-173.6	0	0	113.1	M79 P97 Y178 F181	M79-E99 HydrophobicContact SD-CB 4.49Å; P97-E99 VanDerWaalsContact C-N 3.27Å; P97-E99 PolarHBondContact O-N 2.8Å; E99-Y178 WeakPolarHBondContact O-CD2 3.46Å; E99-Y178 PolarHBondContact O-N 3.24Å; E99-F181 HydrophobicContact CB-CB 4.25Å
100	V	96.4	Very high	90.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.1	-174.5	172	0	0	0	0	110.2	P63 M79 P97 D98 V175 K176	P63-V100 HydrophobicContact CG-CG2 4.15Å; M79-V100 HydrophobicContact CE-CG2 3.71Å; P97-V100 HydrophobicContact CB-CB 4.29Å; P97-V100 HydrophobicContact CB-CG2 4.02Å; P97-V100 HydrophobicContact CG-CB 4.35Å; P97-V100 HydrophobicContact CG-CG2 4.01Å; P97-V100 PolarHBondContact O-N 3.44Å; D98-V100 VanDerWaalsContact C-N 3.29Å; D98-V100 PolarHBondContact O-N 3.03Å; V100-V175 HydrophobicContact CG1-CG1 3.39Å; V100-K176 WeakPolarHBondContact CA-O 3.32Å
101	F	96.1	Very high	89.6	Confident	64 Å²	64	49.4 Å²	49.4	28%	0.281	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	155.2	168	69.6	-82.8	0	0	0	110.8	I103 K176 Y178	F101-I103 HydrophobicContact CD2-CG1 4.3Å; F101-I103 HydrophobicContact CE2-CD1 4.08Å; F101-I103 HydrophobicContact CE2-CG1 4.14Å; F101-K176 HydrophobicContact CD1-CB 4.09Å; F101-K176 HydrophobicContact CD2-CB 4.46Å; F101-K176 HydrophobicContact CE1-CB 3.51Å; F101-K176 HydrophobicContact CE2-CB 3.95Å; F101-K176 HydrophobicContact CE2-CD 4.06Å; F101-K176 HydrophobicContact CE2-CG 4.41Å; F101-K176 HydrophobicContact CZ-CB 3.44Å; F101-K176 VanDerWaalsContact CZ-CB 3.44Å; F101-K176 HydrophobicContact CZ-CD 3.72Å; F101-K176 HydrophobicContact CZ-CG 4.13Å; F101-K176 PolarHBondContact N-O 3.39Å; F101-K176 PolarHBondContact O-N 3.02Å; F101-Y178 HydrophobicContact CB-CE2 4.39Å; F101-Y178 HydrophobicContact CD1-CD1 4Å; F101-Y178 AromaticContact CD1-CE1 3.81Å; F101-Y178 HydrophobicContact CD1-CE1 3.81Å; F101-Y178 HydrophobicContact CD1-CE2 4.33Å; F101-Y178 HydrophobicContact CD1-CG 4.34Å; F101-Y178 AromaticContact CD1-CZ 3.99Å; F101-Y178 HydrophobicContact CE1-CD1 4.31Å; F101-Y178 HydrophobicContact CE1-CE1 4.41Å; F101-Y178 HydrophobicContact CG-CE1 4.43Å
102	V	96.8	Very high	88.3	Confident	19 Å²	19	50.6 Å²	50.6	12%	0.115	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.7	-173.2	-178.2	0	0	0	0	109.8	L59 T89 I96 Y173 T174 V175	L59-V102 HydrophobicContact CD2-CG2 4.19Å; T89-V102 HydrophobicContact CG2-CB 4.26Å; T89-V102 HydrophobicContact CG2-CG1 4.22Å; T89-V102 HydrophobicContact CG2-CG2 4.14Å; I96-V102 HydrophobicContact CD1-CG2 4.17Å; I96-V102 HydrophobicContact CG2-CG2 3.91Å; V102-Y173 HydrophobicContact CG1-CD1 3.56Å; V102-Y173 HydrophobicContact CG1-CE1 4.42Å; V102-Y173 HydrophobicContact CG1-CG 3.74Å; V102-T174 WeakPolarHBondContact CA-O 3.35Å; V102-V175 HydrophobicContact CG2-CG1 4.22Å; V102-V175 HydrophobicContact CG2-CG2 4.41Å
103	I	96.4	Very high	87	Confident	59 Å²	59	54.3 Å²	54.3	30%	0.303	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.2	174.6	-56.3	169.6	0	0	0	108.1	F101 Q105 Y173 T174 K176	F101-I103 HydrophobicContact CD2-CG1 4.3Å; F101-I103 HydrophobicContact CE2-CD1 4.08Å; F101-I103 HydrophobicContact CE2-CG1 4.14Å; I103-Q105 PolarHBondContact O-N 3.07Å; I103-Y173 WeakPolarHBondContact O-CA 3.19Å; I103-T174 PolarHBondContact N-O 3.44Å; I103-T174 PolarHBondContact O-N 3.5Å; I103-K176 HydrophobicContact CD1-CD 4.32Å
104	P	94.7	Very high	86.7	Confident	58 Å²	58	51 Å²	51	38%	0.377	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	119.2	176.5	29.6	-32.3	0	0	0	110.9	Y173	P104-Y173 HydrophobicContact CB-CD1 4.44Å; P104-Y173 HydrophobicContact CB-CE1 4.44Å
105	Q	93.5	Very high	86.6	Confident	69 Å²	69	53.6 Å²	53.6	32%	0.322	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-50.8	177.8	-59.2	-71.8	2.8	0	0	110.3	I103 E107 F171 I172 T174	I103-Q105 PolarHBondContact O-N 3.07Å; Q105-E107 HydrophobicContact CB-CG 4.34Å; Q105-E107 PolarHBondContact O-N 3.34Å; Q105-F171 HydrophobicContact CB-CD1 4Å; Q105-F171 HydrophobicContact CB-CD2 4.48Å; Q105-F171 HydrophobicContact CB-CE1 3.92Å; Q105-F171 HydrophobicContact CB-CE2 4.38Å; Q105-F171 HydrophobicContact CB-CG 4.32Å; Q105-F171 HydrophobicContact CB-CZ 4.17Å; Q105-F171 HydrophobicContact CG-CD1 4.22Å; Q105-F171 HydrophobicContact CG-CE1 3.63Å; Q105-F171 HydrophobicContact CG-CE2 3.93Å; Q105-F171 HydrophobicContact CG-CZ 3.51Å; Q105-I172 PolarHBondContact N-O 3.01Å; Q105-T174 PolarHBondContact NE2-OG1 3.09Å
106	K	88.6	Confident	86.5	Confident	128 Å²	128	55.4 Å²	55.4	56%	0.557	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.3	37.5	178.1	-57.7	176.4	179.5	173.8	0	112.8	D91 F171 I172	D91-K106 IonicContact OD2-NZ 3.98Å; K106-F171 PolarHBondContact N-O 3.15Å; K106-I172 PolarHBondContact N-O 3.33Å
107	E	87.2	Confident	86.5	Confident	110 Å²	110	55.6 Å²	55.6	51%	0.514	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138.5	179.1	-62.9	-175	169.4	0	0	110.9	Q105 F171	Q105-E107 HydrophobicContact CB-CG 4.34Å; Q105-E107 PolarHBondContact O-N 3.34Å; E107-F171 HydrophobicContact CB-CB 4.31Å; E107-F171 HydrophobicContact CB-CD1 4.32Å; E107-F171 PolarHBondContact N-O 3.19Å; E107-F171 CarbonylContact O-C 3.53Å; E107-F171 PolarHBondContact O-N 3.21Å; E107-F171 VanDerWaalsContact O-O 3.11Å
108	T	81.9	Confident	86.2	Confident	89 Å²	89	59.1 Å²	59.1	55%	0.546	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	114.7	177.1	-41.9	0	0	0	0	108.2	N170	T108-N170 WeakPolarHBondContact CG2-OD1 3.18Å
109	G	76.9	Confident	86.2	Confident	34 Å²	34	59.8 Å²	59.8	35%	0.351	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.4	-178.6	0	0	0	0	0	111.2	R169	G109-R169 PolarHBondContact N-O 3.27Å; G109-R169 PolarHBondContact O-N 3.23Å
110	V	74.3	Confident	86.1	Confident	60 Å²	60	58 Å²	58	36%	0.364	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	103.7	170.9	178.8	0	0	0	0	107.1	T112 V168 F261 L305	V110-T112 HydrophobicContact CG1-CG2 4.15Å; V110-T112 PolarHBondContact O-N 3.38Å; V110-V168 HydrophobicContact CG1-CG2 4.23Å; V110-V168 HydrophobicContact CG2-CG1 3.98Å; V110-F261 HydrophobicContact CG1-CE1 3.94Å; V110-F261 HydrophobicContact CG1-CZ 3.49Å; V110-F261 VanDerWaalsContact CG1-CZ 3.49Å; V110-L305 HydrophobicContact CG2-CD2 4.35Å
111	E	67.8	Low	85.9	Confident	104 Å²	104	60.5 Å²	60.5	49%	0.486	33%	0.33	S	S	.	.			trans	-81.8	105	173.9	-69.9	-177.7	168.2	0	0	108.6	Q167	E111-Q167 HydrophobicContact CB-CG 4.46Å; E111-Q167 PolarHBondContact N-O 2.9Å; E111-Q167 WeakPolarHBondContact OE2-CG 3.45Å; E111-Q167 PolarHBondContact OE2-NE2 2.89Å
112	T	62.7	Low	85.7	Confident	83 Å²	83	63.6 Å²	63.6	51%	0.509	35%	0.346	S	S	.	.			trans	-80.3	-20	-180	52.4	0	0	0	0	113.2	V110 G257 F261	V110-T112 HydrophobicContact CG1-CG2 4.15Å; V110-T112 PolarHBondContact O-N 3.38Å; T112-G257 WeakPolarHBondContact O-CA 3.32Å; T112-F261 HydrophobicContact CG2-CE2 3.98Å; T112-F261 HydrophobicContact CG2-CZ 4.17Å
113	N	62.4	Low	85.4	Confident	109 Å²	109	63.2 Å²	63.2	58%	0.583	34%	0.343	S	S	*	.	S	Bend	trans	-100.4	130.7	176.8	-68.9	-20.1	0	0	0	109.8
114	S	81.4	Confident	85.2	Confident	5 Å²	5	66.5 Å²	66.5	4%	0.035	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-74.4	155.8	177.8	91	0	0	0	0	112.2	R165 V166 K253 A256	S114-R165 CarbonylContact C-O 3.55Å; S114-R165 WeakPolarHBondContact CA-O 3.38Å; S114-R165 WeakPolarHBondContact CB-O 2.96Å; S114-V166 VanDerWaalsContact CB-CG2 3.41Å; S114-K253 PolarHBondContact N-O 3.11Å; S114-K253 WeakPolarHBondContact O-CD 3.43Å; S114-K253 WeakPolarHBondContact O-CE 3.44Å; S114-K253 WeakPolarHBondContact O-CG 3.14Å; S114-K253 VanDerWaalsContact OG-CA 3.32Å; S114-K253 WeakPolarHBondContact OG-CA 3.31Å; S114-A256 WeakPolarHBondContact OG-CB 3.47Å
115	E	90.4	Very high	85.2	Confident	73 Å²	73	64.1 Å²	64.1	34%	0.341	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	151.4	159	62.9	177.6	-179.8	0	0	110.1	I117 A164 R165	E115-I117 HydrophobicContact CG-CD1 4.4Å; E115-I117 HydrophobicContact CG-CG1 4.28Å; E115-A164 CarbonylContact O-C 3.57Å; E115-A164 VanDerWaalsContact O-CA 3.32Å; E115-A164 WeakPolarHBondContact O-CA 3.47Å; E115-R165 HydrophobicContact CG-CB 3.73Å; E115-R165 PolarHBondContact N-O 2.87Å; E115-R165 PolarHBondContact O-N 3.36Å; E115-R165 VanDerWaalsContact OE1-CD 3.27Å; E115-R165 WeakPolarHBondContact OE1-CD 3.11Å; E115-R165 IonicContact OE1-CZ 3.62Å; E115-R165 IonicContact OE1-NE 3.85Å; E115-R165 IonicContact OE1-NH1 3.78Å; E115-R165 PolarHBondContact OE1-NH1 3.42Å
116	I	91.9	Very high	85.2	Confident	39 Å²	39	61.2 Å²	61.2	20%	0.2	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.4	171.5	-59.4	-62.6	0	0	0	106.5	T162 T163 A164 V242 T249 I252 K253	I116-T162 HydrophobicContact CG2-CG2 3.6Å; I116-T163 CarbonylContact C-O 3.42Å; I116-T163 WeakPolarHBondContact CA-O 3.16Å; I116-A164 HydrophobicContact CD1-CB 3.65Å; I116-V242 HydrophobicContact CG2-CG1 4.4Å; I116-T249 HydrophobicContact CG1-CG2 4.16Å; I116-I252 HydrophobicContact CD1-CG2 4.05Å; I116-K253 HydrophobicContact CD1-CG 4.22Å; I116-K253 HydrophobicContact CG1-CD 4.4Å; I116-K253 HydrophobicContact CG1-CG 3.75Å
117	I	93.8	Very high	85.5	Confident	9 Å²	9	56 Å²	56	5%	0.046	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	99.8	-179.5	-54	168.1	0	0	0	106.8	E115 S119 M152 Q156 T163	E115-I117 HydrophobicContact CG-CD1 4.4Å; E115-I117 HydrophobicContact CG-CG1 4.28Å; I117-S119 VanDerWaalsContact C-N 3.33Å; I117-S119 WeakPolarHBondContact CG2-O 2.92Å; I117-M152 HydrophobicContact CB-SD 4.43Å; I117-M152 HydrophobicContact CD1-CE 3.8Å; I117-M152 HydrophobicContact CD1-SD 4.41Å; I117-M152 HydrophobicContact CG2-SD 3.78Å; I117-Q156 PolarHBondContact O-NE2 3.36Å; I117-T163 PolarHBondContact N-O 3.02Å; I117-T163 PolarHBondContact O-N 3.18Å; I117-T163 VanDerWaalsContact O-N 3.17Å
118	S	90.1	Very high	86	Confident	74 Å²	74	50.7 Å²	50.7	52%	0.517	28%	0.281	S	S	.	.			trans	-72.8	-27	-179.6	53.3	0	0	0	0	112.8
119	S	92.3	Very high	86.6	Confident	29 Å²	29	49.5 Å²	49.5	20%	0.203	27%	0.271	C	S	.	.			trans	-137.6	132.9	-176.8	-179	0	0	0	0	112.3	I117 L121 E122	I117-S119 VanDerWaalsContact C-N 3.33Å; I117-S119 WeakPolarHBondContact CG2-O 2.92Å; S119-L121 PolarHBondContact O-N 2.57Å; S119-L121 VanDerWaalsContact O-N 3.08Å; S119-L121 WeakPolarHBondContact OG-CB 3.39Å; S119-L121 PolarHBondContact OG-N 2.96Å; S119-E122 PolarHBondContact O-N 3.46Å
120	W	92.9	Very high	87.5	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.008	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.7	171.4	62.5	-89.1	0	0	0	113.2	E122 K144 N149 M152 K153 V367 A378 N379	W120-E122 VanDerWaalsContact C-N 3.31Å; W120-K144 HydrophobicContact CZ3-CD 4.49Å; W120-K144 PolarHBondContact O-NZ 3.31Å; W120-N149 PolarHBondContact O-ND2 2.75Å; W120-M152 HydrophobicContact CB-CG 4.26Å; W120-K153 HydrophobicContact CB-CB 3.85Å; W120-K153 HydrophobicContact CB-CG 4.46Å; W120-K153 HydrophobicContact CD2-CB 3.95Å; W120-K153 HydrophobicContact CD2-CD 3.59Å; W120-K153 HydrophobicContact CD2-CG 3.72Å; W120-K153 HydrophobicContact CE3-CB 4.37Å; W120-K153 HydrophobicContact CE3-CD 3.72Å; W120-K153 HydrophobicContact CE3-CG 4.28Å; W120-K153 HydrophobicContact CG-CB 3.68Å; W120-K153 HydrophobicContact CG-CD 4.18Å; W120-K153 HydrophobicContact CG-CG 3.75Å; W120-K153 HydrophobicContact CH2-CD 4.17Å; W120-K153 HydrophobicContact CZ2-CD 4Å; W120-K153 HydrophobicContact CZ3-CD 4Å; W120-V367 HydrophobicContact CH2-CG1 4.32Å; W120-V367 HydrophobicContact CZ2-CB 4.35Å; W120-V367 HydrophobicContact CZ2-CG1 4.21Å; W120-A378 WeakPolarHBondContact CH2-O 3.49Å; W120-N379 HydrophobicContact CZ3-CB 4.49Å
121	L	92.1	Very high	88.6	Confident	53 Å²	53	47.3 Å²	47.3	28%	0.277	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-29.1	171.4	-70.1	169.4	0	0	0	112.7	S119 K144 V367	S119-L121 PolarHBondContact O-N 2.57Å; S119-L121 VanDerWaalsContact O-N 3.08Å; S119-L121 WeakPolarHBondContact OG-CB 3.39Å; S119-L121 PolarHBondContact OG-N 2.96Å; L121-K144 PolarHBondContact O-NZ 3.46Å; L121-V367 HydrophobicContact CD1-CB 3.89Å; L121-V367 HydrophobicContact CD1-CG1 4.29Å; L121-V367 HydrophobicContact CD1-CG2 3.64Å
122	E	91.5	Very high	89.9	Confident	130 Å²	130	43.3 Å²	43.3	61%	0.607	23%	0.234	S	C	*	.	S	Bend	trans	-94.4	-1.7	-177.9	-61.5	177.5	-177.4	0	0	112.7	S119 W120 K124	S119-E122 PolarHBondContact O-N 3.46Å; W120-E122 VanDerWaalsContact C-N 3.31Å; E122-K124 PolarHBondContact O-N 3.28Å
123	Q	91.1	Very high	91.4	Very high	11 Å²	11	42.7 Å²	42.7	5%	0.051	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-59.8	125.6	-178	-176.7	-94.5	-30.6	0	0	111.6	E148 N149 M152	Q123-E148 PolarHBondContact NE2-OE2 3.48Å; Q123-N149 PolarHBondContact OE1-ND2 2.85Å; Q123-M152 HydrophobicContact CB-CE 4.29Å; Q123-M152 HydrophobicContact CB-SD 3.68Å; Q123-M152 HydrophobicContact CG-CE 3.58Å; Q123-M152 HydrophobicContact CG-SD 3.63Å
124	K	92.6	Very high	92.6	Very high	127 Å²	127	39.3 Å²	39.3	55%	0.552	22%	0.22	S	C	*	.	P	Polyproline II helix	trans	-97.8	135.2	169.4	-63.4	178.6	-175.4	174.7	0	109.6	E122 R165	E122-K124 PolarHBondContact O-N 3.28Å; K124-R165 PolarHBondContact O-NH1 3.04Å
125	S	94.4	Very high	92.7	Very high	8 Å²	8	45 Å²	45	6%	0.056	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-71.6	141.5	176.6	-175.7	0	0	0	0	110.5	N72 T127 S128 N129 E148	N72-S125 PolarHBondContact ND2-OG 3.41Å; S125-T127 VanDerWaalsContact C-N 3.33Å; S125-S128 WeakPolarHBondContact CB-OG 3.42Å; S125-S128 PolarHBondContact OG-OG 2.96Å; S125-N129 WeakPolarHBondContact O-CB 3.33Å; S125-E148 WeakPolarHBondContact CA-OE2 3.49Å; S125-E148 WeakPolarHBondContact CB-OE2 3.21Å; S125-E148 PolarHBondContact OG-OE2 3.36Å
126	T	92.8	Very high	92.4	Very high	8 Å²	8	43 Å²	43	5%	0.049	25%	0.248	C	C	.	.	S	Bend	trans	-79.4	-18.7	-178.8	55.8	0	0	0	0	112.8	E148 R169 V232 I319	T126-E148 PolarHBondContact N-OE2 3.29Å; T126-E148 PolarHBondContact OG1-OE1 2.85Å; T126-R169 PolarHBondContact O-NH1 3.42Å; T126-V232 HydrophobicContact CG2-CG1 4.22Å; T126-V232 HydrophobicContact CG2-CG2 4.21Å; T126-I319 VanDerWaalsContact O-O 3.05Å
127	T	95	Very high	92.3	Very high	18 Å²	18	43.6 Å²	43.6	11%	0.11	25%	0.249	C	C	.	.	S	Bend	trans	-119.9	-3.9	-172.9	58.2	0	0	0	0	114.8	S125 I319 D320 R321	S125-T127 VanDerWaalsContact C-N 3.33Å; T127-I319 CarbonylContact C-O 3.5Å; T127-I319 VanDerWaalsContact CA-O 3.27Å; T127-I319 WeakPolarHBondContact CA-O 3.39Å; T127-D320 WeakPolarHBondContact O-CA 3.36Å; T127-R321 PolarHBondContact O-NH1 3.16Å
128	S	96.9	Very high	92.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.265	C	S	.	.			trans	-153.9	32	-173.4	48.8	0	0	0	0	112.7	N72 S125 S130 N132 D320	N72-S128 PolarHBondContact ND2-OG 3.21Å; S125-S128 WeakPolarHBondContact CB-OG 3.42Å; S125-S128 PolarHBondContact OG-OG 2.96Å; S128-S130 VanDerWaalsContact C-N 3.34Å; S128-S130 PolarHBondContact O-N 2.85Å; S128-N132 WeakPolarHBondContact O-CB 3.32Å; S128-N132 PolarHBondContact O-N 2.84Å; S128-N132 PolarHBondContact O-OD1 3.01Å; S128-D320 VanDerWaalsContact C-OD1 3.3Å; S128-D320 WeakPolarHBondContact CA-OD1 3.35Å
129	N	95.4	Very high	92.1	Very high	63 Å²	63	46.6 Å²	46.6	34%	0.337	26%	0.256	S	S	.	.	H	α-helix	trans	-59.4	-43.9	-177.8	-178.3	62	0	0	0	112.3	S125 N132 A133 D320	S125-N129 WeakPolarHBondContact O-CB 3.33Å; N129-N132 PolarHBondContact O-N 2.8Å; N129-A133 WeakPolarHBondContact O-CB 3.27Å; N129-A133 PolarHBondContact O-N 3.19Å; N129-D320 PolarHBondContact N-OD1 2.96Å
130	S	96.6	Very high	92	Very high	47 Å²	47	48.8 Å²	48.8	33%	0.329	27%	0.268	S	S	.	.	H	α-helix	trans	-69.8	-43.8	-171.6	-66.1	0	0	0	0	112.9	S128 N132 A133 D320 R321 S322	S128-S130 VanDerWaalsContact C-N 3.34Å; S128-S130 PolarHBondContact O-N 2.85Å; S130-N132 VanDerWaalsContact C-N 3.28Å; S130-N132 PolarHBondContact O-N 3.03Å; S130-A133 PolarHBondContact O-N 3.37Å; S130-D320 VanDerWaalsContact CB-OD2 3.24Å; S130-D320 WeakPolarHBondContact CB-OD2 3.36Å; S130-D320 PolarHBondContact N-OD1 3.39Å; S130-D320 VanDerWaalsContact N-OD1 3.08Å; S130-D320 PolarHBondContact N-OD2 3.45Å; S130-D320 PolarHBondContact OG-OD2 3.08Å; S130-R321 WeakPolarHBondContact CB-O 3.44Å; S130-S322 VanDerWaalsContact CB-OG 3.3Å; S130-S322 WeakPolarHBondContact CB-OG 3.29Å
131	I	96.5	Very high	92.1	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-68.8	-26.7	176.4	-165	161.6	0	0	0	112.5	W67 N69 D134 H220 I222 R321	W67-I131 HydrophobicContact CB-CD1 4.26Å; W67-I131 VanDerWaalsContact CD1-CD1 3.46Å; W67-I131 HydrophobicContact CG-CD1 3.89Å; W67-I131 HydrophobicContact CZ2-CG2 4.33Å; N69-I131 PolarHBondContact ND2-O 2.95Å; I131-D134 WeakPolarHBondContact O-CB 3.48Å; I131-H220 HydrophobicContact CD1-CB 4.08Å; I131-I222 HydrophobicContact CD1-CG1 4.22Å; I131-R321 HydrophobicContact CB-CB 4.41Å; I131-R321 WeakPolarHBondContact CB-O 3.49Å; I131-R321 HydrophobicContact CG2-CB 4.02Å; I131-R321 PolarHBondContact N-O 2.78Å
132	N	96.1	Very high	92.3	Very high	20 Å²	20	46.5 Å²	46.5	11%	0.107	26%	0.257	C	S	.	.	H	α-helix	trans	-78.6	-25.6	176	-72.4	50.2	0	0	0	112.8	N69 N72 S128 N129 S130 D134 N142 A143	N69-N132 PolarHBondContact OD1-OD1 2.76Å; N69-N132 VanDerWaalsContact OD1-OD1 3.08Å; N72-N132 PolarHBondContact ND2-ND2 2.85Å; N72-N132 PolarHBondContact OD1-ND2 3.46Å; N72-N132 PolarHBondContact OD1-OD1 3.45Å; S128-N132 WeakPolarHBondContact O-CB 3.32Å; S128-N132 PolarHBondContact O-N 2.84Å; S128-N132 PolarHBondContact O-OD1 3.01Å; N129-N132 PolarHBondContact O-N 2.8Å; S130-N132 VanDerWaalsContact C-N 3.28Å; S130-N132 PolarHBondContact O-N 3.03Å; N132-D134 PolarHBondContact O-N 3.2Å; N132-N142 HydrophobicContact CB-CB 4.15Å; N132-N142 PolarHBondContact O-ND2 2.91Å; N132-A143 WeakPolarHBondContact ND2-CA 3.39Å; N132-A143 WeakPolarHBondContact ND2-CB 3.33Å; N132-A143 PolarHBondContact ND2-N 2.84Å; N132-A143 VanDerWaalsContact ND2-N 3.13Å
133	A	92.6	Very high	92.4	Very high	70 Å²	70	40.5 Å²	40.5	58%	0.579	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-8.1	174.8	0	0	0	0	0	113.4	N129 S130	N129-A133 WeakPolarHBondContact O-CB 3.27Å; N129-A133 PolarHBondContact O-N 3.19Å; S130-A133 PolarHBondContact O-N 3.37Å
134	D	88	Confident	92.6	Very high	38 Å²	38	41 Å²	41	20%	0.203	23%	0.231	C	C	.	.			trans	-57.6	138.7	173.8	-177.7	65.2	0	0	0	111.5	I131 N132 S136 S139 N142 H220	I131-D134 WeakPolarHBondContact O-CB 3.48Å; N132-D134 PolarHBondContact O-N 3.2Å; D134-S136 VanDerWaalsContact C-N 3.31Å; D134-S136 PolarHBondContact O-N 3.08Å; D134-S136 WeakPolarHBondContact OD2-CA 3.21Å; D134-S136 WeakPolarHBondContact OD2-CB 3.24Å; D134-S136 PolarHBondContact OD2-N 3.18Å; D134-S136 PolarHBondContact OD2-OG 3.03Å; D134-S139 VanDerWaalsContact O-CB 3.3Å; D134-S139 WeakPolarHBondContact O-CB 3.37Å; D134-N142 PolarHBondContact O-ND2 3.46Å; D134-H220 IonicContact OD2-NE2 2.7Å
135	V	84.4	Confident	92.8	Very high	125 Å²	125	36.2 Å²	36.2	76%	0.758	21%	0.211	S	C	*	.			trans	-90.6	11.4	-174.3	-65.9	0	0	0	0	113.3
136	S	83.4	Confident	92.9	Very high	30 Å²	30	36 Å²	36	21%	0.21	21%	0.209	C	C	.	.	S	Bend	trans	-73	148.7	176.3	-55.1	0	0	0	0	112.2	D134 P325	D134-S136 VanDerWaalsContact C-N 3.31Å; D134-S136 PolarHBondContact O-N 3.08Å; D134-S136 WeakPolarHBondContact OD2-CA 3.21Å; D134-S136 WeakPolarHBondContact OD2-CB 3.24Å; D134-S136 PolarHBondContact OD2-N 3.18Å; D134-S136 PolarHBondContact OD2-OG 3.03Å; S136-P325 WeakPolarHBondContact OG-CG 3.24Å
137	F	89.6	Confident	93	Very high	52 Å²	52	39.8 Å²	39.8	23%	0.228	24%	0.236	C	C	.	.	S	Bend	trans	53.4	-138.4	179.9	-50.1	-77	0	0	0	111.9	S139 P325 I354 D355 Y358	F137-S139 PolarHBondContact O-N 2.8Å; F137-P325 HydrophobicContact CE2-CB 3.84Å; F137-P325 HydrophobicContact CE2-CG 3.97Å; F137-P325 HydrophobicContact CZ-CB 4.19Å; F137-I354 HydrophobicContact CD1-CB 4.41Å; F137-I354 HydrophobicContact CD1-CG2 3.88Å; F137-I354 HydrophobicContact CD2-CG2 3.81Å; F137-I354 HydrophobicContact CE1-CB 3.71Å; F137-I354 HydrophobicContact CE1-CG2 3.53Å; F137-I354 HydrophobicContact CE2-CB 4.29Å; F137-I354 HydrophobicContact CE2-CD1 4.37Å; F137-I354 HydrophobicContact CE2-CG2 3.45Å; F137-I354 VanDerWaalsContact CE2-CG2 3.45Å; F137-I354 HydrophobicContact CG-CG2 4Å; F137-I354 HydrophobicContact CZ-CB 3.63Å; F137-I354 HydrophobicContact CZ-CD1 3.81Å; F137-I354 HydrophobicContact CZ-CG1 4.32Å; F137-I354 HydrophobicContact CZ-CG2 3.29Å; F137-D355 HydrophobicContact CD1-CB 4.34Å; F137-Y358 HydrophobicContact CB-CD1 4.21Å; F137-Y358 HydrophobicContact CB-CD2 4.17Å; F137-Y358 HydrophobicContact CB-CE1 4.22Å; F137-Y358 HydrophobicContact CB-CE2 4.19Å; F137-Y358 HydrophobicContact CB-CG 4.18Å; F137-Y358 HydrophobicContact CD2-CE2 4.21Å; F137-Y358 HydrophobicContact CG-CD2 4.42Å; F137-Y358 HydrophobicContact CG-CE2 4.31Å
138	Y	89.8	Confident	93	Very high	99 Å²	99	39.6 Å²	39.6	39%	0.388	23%	0.234	S	C	.	.	S	Bend	trans	-98.4	78.1	178.4	-164.8	-130.5	0	0	0	110.4	V140 L141 T362 V380	Y138-V140 HydrophobicContact CE1-CB 4.46Å; Y138-V140 HydrophobicContact CE2-CG2 4.49Å; Y138-V140 PolarHBondContact O-N 2.92Å; Y138-V140 VanDerWaalsContact O-N 3.09Å; Y138-L141 HydrophobicContact CD1-CB 4.28Å; Y138-L141 VanDerWaalsContact O-CB 3.31Å; Y138-L141 WeakPolarHBondContact O-CB 3.05Å; Y138-L141 PolarHBondContact O-N 3.13Å; Y138-T362 HydrophobicContact CD1-CG2 4.26Å; Y138-T362 HydrophobicContact CE1-CG2 3.92Å; Y138-V380 HydrophobicContact CE1-CG1 4.21Å; Y138-V380 HydrophobicContact CE1-CG2 3.7Å; Y138-V380 VanDerWaalsContact OH-CG1 3.26Å; Y138-V380 WeakPolarHBondContact OH-CG1 3.42Å
139	S	89.3	Confident	92.9	Very high	47 Å²	47	39.6 Å²	39.6	33%	0.329	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-56.5	-27.7	-169.6	59.1	0	0	0	0	114.9	D134 F137 L141 N142	D134-S139 VanDerWaalsContact O-CB 3.3Å; D134-S139 WeakPolarHBondContact O-CB 3.37Å; F137-S139 PolarHBondContact O-N 2.8Å; S139-L141 PolarHBondContact O-N 3.07Å; S139-N142 VanDerWaalsContact O-CB 3.32Å; S139-N142 WeakPolarHBondContact O-CB 3.19Å; S139-N142 VanDerWaalsContact O-CG 3.31Å; S139-N142 PolarHBondContact O-N 2.91Å; S139-N142 PolarHBondContact O-ND2 3.4Å
140	V	91.9	Very high	92.9	Very high	75 Å²	75	38.6 Å²	38.6	46%	0.455	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-55.7	-26.4	174.5	-179.8	0	0	0	0	112.2	Y138 K144	Y138-V140 HydrophobicContact CE1-CB 4.46Å; Y138-V140 HydrophobicContact CE2-CG2 4.49Å; Y138-V140 PolarHBondContact O-N 2.92Å; Y138-V140 VanDerWaalsContact O-N 3.09Å; V140-K144 VanDerWaalsContact O-CE 3.25Å; V140-K144 WeakPolarHBondContact O-CE 3.28Å
141	L	94.3	Very high	92.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-85.4	-13.4	-178.7	-158.5	66.1	0	0	0	113.9	L70 Y138 S139 K144 F145 Y358 N361 N379 V380	L70-L141 HydrophobicContact CD1-CD2 4.04Å; L70-L141 HydrophobicContact CD2-CB 3.91Å; L70-L141 HydrophobicContact CD2-CD2 3.74Å; L70-L141 HydrophobicContact CD2-CG 3.67Å; L70-L141 WeakPolarHBondContact CD2-O 3.31Å; Y138-L141 HydrophobicContact CD1-CB 4.28Å; Y138-L141 VanDerWaalsContact O-CB 3.31Å; Y138-L141 WeakPolarHBondContact O-CB 3.05Å; Y138-L141 PolarHBondContact O-N 3.13Å; S139-L141 PolarHBondContact O-N 3.07Å; L141-K144 HydrophobicContact CD1-CB 4.42Å; L141-K144 WeakPolarHBondContact O-CB 3.32Å; L141-K144 WeakPolarHBondContact O-CG 3.32Å; L141-K144 PolarHBondContact O-N 3.37Å; L141-K144 VanDerWaalsContact O-N 3.13Å; L141-F145 HydrophobicContact CD1-CE2 4.07Å; L141-F145 HydrophobicContact CD2-CE2 4.47Å; L141-F145 HydrophobicContact CG-CE2 4.25Å; L141-Y358 HydrophobicContact CB-CD1 4.09Å; L141-Y358 HydrophobicContact CB-CE1 4.33Å; L141-Y358 HydrophobicContact CD2-CD1 3.98Å; L141-Y358 HydrophobicContact CD2-CG 4.48Å; L141-Y358 WeakPolarHBondContact CD2-O 3.31Å; L141-N361 HydrophobicContact CD2-CB 4.29Å; L141-N379 HydrophobicContact CD1-CB 4.23Å; L141-N379 VanDerWaalsContact CD1-CG 3.41Å; L141-N379 VanDerWaalsContact CD1-ND2 3.26Å; L141-N379 WeakPolarHBondContact CD1-ND2 3.29Å; L141-V380 HydrophobicContact CD1-CG2 4.38Å
142	N	95.4	Very high	92.8	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.043	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	141.6	-179.2	-65.3	-19.7	0	0	0	110.2	N69 N132 D134 S139 K144 Y358	N69-N142 PolarHBondContact ND2-ND2 3.2Å; N69-N142 PolarHBondContact ND2-OD1 2.98Å; N69-N142 WeakPolarHBondContact O-CA 3.43Å; N132-N142 HydrophobicContact CB-CB 4.15Å; N132-N142 PolarHBondContact O-ND2 2.91Å; D134-N142 PolarHBondContact O-ND2 3.46Å; S139-N142 VanDerWaalsContact O-CB 3.32Å; S139-N142 WeakPolarHBondContact O-CB 3.19Å; S139-N142 VanDerWaalsContact O-CG 3.31Å; S139-N142 PolarHBondContact O-N 2.91Å; S139-N142 PolarHBondContact O-ND2 3.4Å; N142-K144 PolarHBondContact O-N 3.39Å; N142-Y358 WeakPolarHBondContact OD1-CE1 3.46Å; N142-Y358 PolarHBondContact OD1-OH 3.46Å
143	A	95.4	Very high	92.8	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.033	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	-7.5	-173.3	0	0	0	0	0	117.7	N69 L70 N132 F145 S146 N149	N69-A143 PolarHBondContact O-N 3.16Å; L70-A143 CarbonylContact O-C 3.59Å; N132-A143 WeakPolarHBondContact ND2-CA 3.39Å; N132-A143 WeakPolarHBondContact ND2-CB 3.33Å; N132-A143 PolarHBondContact ND2-N 2.84Å; N132-A143 VanDerWaalsContact ND2-N 3.13Å; A143-F145 PolarHBondContact O-N 3.18Å; A143-S146 VanDerWaalsContact O-CB 3.27Å; A143-S146 WeakPolarHBondContact O-CB 3.14Å; A143-S146 PolarHBondContact O-N 3.24Å; A143-S146 PolarHBondContact O-OG 3.09Å; A143-N149 WeakPolarHBondContact O-CB 3.09Å
144	K	95.4	Very high	92.9	Very high	21 Å²	21	35.7 Å²	35.7	9%	0.091	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-10.6	-170.6	-60.3	-50	-177.9	-163.5	0	114.4	W120 L121 V140 L141 N142 N379	W120-K144 HydrophobicContact CZ3-CD 4.49Å; W120-K144 PolarHBondContact O-NZ 3.31Å; L121-K144 PolarHBondContact O-NZ 3.46Å; V140-K144 VanDerWaalsContact O-CE 3.25Å; V140-K144 WeakPolarHBondContact O-CE 3.28Å; L141-K144 HydrophobicContact CD1-CB 4.42Å; L141-K144 WeakPolarHBondContact O-CB 3.32Å; L141-K144 WeakPolarHBondContact O-CG 3.32Å; L141-K144 PolarHBondContact O-N 3.37Å; L141-K144 VanDerWaalsContact O-N 3.13Å; N142-K144 PolarHBondContact O-N 3.39Å; K144-N379 HydrophobicContact CB-CB 4.27Å
145	F	96	Very high	93.2	Very high	27 Å²	27	35.8 Å²	35.8	12%	0.118	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	8.9	173.2	-62.9	-89.3	0	0	0	113.3	L70 R71 L141 A143 N361 N379 I603	L70-F145 HydrophobicContact CB-CD2 4.16Å; L70-F145 CarbonylContact O-C 3.53Å; L70-F145 WeakPolarHBondContact O-CA 3.42Å; L70-F145 WeakPolarHBondContact O-CB 3.42Å; L70-F145 PolarHBondContact O-N 2.9Å; R71-F145 HydrophobicContact CG-CB 4.28Å; L141-F145 HydrophobicContact CD1-CE2 4.07Å; L141-F145 HydrophobicContact CD2-CE2 4.47Å; L141-F145 HydrophobicContact CG-CE2 4.25Å; A143-F145 PolarHBondContact O-N 3.18Å; F145-N361 HydrophobicContact CE2-CB 3.85Å; F145-N361 HydrophobicContact CZ-CB 3.88Å; F145-N361 VanDerWaalsContact CZ-O 3.28Å; F145-N361 WeakPolarHBondContact CZ-O 3.22Å; F145-N379 WeakPolarHBondContact CE2-ND2 3.12Å; F145-N379 VanDerWaalsContact CZ-ND2 3.29Å; F145-N379 WeakPolarHBondContact CZ-ND2 3.26Å; F145-I603 HydrophobicContact CB-CB 4.3Å; F145-I603 HydrophobicContact CB-CD1 3.94Å; F145-I603 HydrophobicContact CB-CG1 4.49Å; F145-I603 HydrophobicContact CD1-CB 3.65Å; F145-I603 HydrophobicContact CD1-CD1 4.32Å; F145-I603 HydrophobicContact CD1-CG1 4Å; F145-I603 HydrophobicContact CD2-CD1 3.92Å; F145-I603 HydrophobicContact CD2-CG1 4.25Å; F145-I603 HydrophobicContact CE1-CB 4.09Å; F145-I603 HydrophobicContact CE1-CG1 4.23Å; F145-I603 HydrophobicContact CE2-CD1 4.5Å; F145-I603 HydrophobicContact CE2-CG1 4.47Å; F145-I603 HydrophobicContact CG-CB 3.99Å; F145-I603 HydrophobicContact CG-CD1 3.8Å; F145-I603 HydrophobicContact CG-CG1 3.99Å; F145-I603 HydrophobicContact CZ-CG1 4.45Å
146	S	96.5	Very high	93.6	Very high	3 Å²	3	30 Å²	30	2%	0.021	16%	0.164	C	C	.	.	S	Bend	trans	-68.3	155.7	173.4	68.7	0	0	0	0	111.6	L70 R71 A143 E148 N149 T150	L70-S146 PolarHBondContact O-N 2.5Å; R71-S146 WeakPolarHBondContact O-CA 3.33Å; A143-S146 VanDerWaalsContact O-CB 3.27Å; A143-S146 WeakPolarHBondContact O-CB 3.14Å; A143-S146 PolarHBondContact O-N 3.24Å; A143-S146 PolarHBondContact O-OG 3.09Å; S146-E148 VanDerWaalsContact C-N 3.26Å; S146-E148 PolarHBondContact O-N 3.27Å; S146-N149 PolarHBondContact O-N 3.05Å; S146-N149 WeakPolarHBondContact OG-CB 3.43Å; S146-N149 PolarHBondContact OG-N 3.42Å; S146-N149 VanDerWaalsContact OG-N 3.15Å; S146-T150 WeakPolarHBondContact O-CB 3.37Å; S146-T150 VanDerWaalsContact O-CG2 3.31Å; S146-T150 WeakPolarHBondContact O-CG2 3.41Å; S146-T150 PolarHBondContact O-N 2.85Å; S146-T150 PolarHBondContact O-OG1 2.62Å
147	S	94.6	Very high	94	Very high	88 Å²	88	29.9 Å²	29.9	62%	0.615	16%	0.161	S	C	*	.	H	α-helix	trans	-60.1	-37.8	174.7	53.8	0	0	0	0	112	T150 R151	S147-T150 WeakPolarHBondContact CA-OG1 3.46Å; S147-T150 PolarHBondContact O-OG1 2.85Å; S147-R151 WeakPolarHBondContact O-CB 3.39Å; S147-R151 PolarHBondContact O-N 2.9Å
148	E	94.8	Very high	94.1	Very high	13 Å²	13	32.5 Å²	32.5	6%	0.061	17%	0.173	C	C	.	.	H	α-helix	trans	-60.2	-51.9	175.5	-67.8	173.7	-174.3	0	0	111.3	Q123 S125 T126 S146 M152	Q123-E148 PolarHBondContact NE2-OE2 3.48Å; S125-E148 WeakPolarHBondContact CA-OE2 3.49Å; S125-E148 WeakPolarHBondContact CB-OE2 3.21Å; S125-E148 PolarHBondContact OG-OE2 3.36Å; T126-E148 PolarHBondContact N-OE2 3.29Å; T126-E148 PolarHBondContact OG1-OE1 2.85Å; S146-E148 VanDerWaalsContact C-N 3.26Å; S146-E148 PolarHBondContact O-N 3.27Å; E148-M152 WeakPolarHBondContact O-CB 3.42Å; E148-M152 PolarHBondContact O-N 2.92Å
149	N	95.6	Very high	94.2	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-68.7	-44	-176.8	-164.3	-90.3	0	0	0	112.2	W120 Q123 A143 S146 M152 K153	W120-N149 PolarHBondContact O-ND2 2.75Å; Q123-N149 PolarHBondContact OE1-ND2 2.85Å; A143-N149 WeakPolarHBondContact O-CB 3.09Å; S146-N149 PolarHBondContact O-N 3.05Å; S146-N149 WeakPolarHBondContact OG-CB 3.43Å; S146-N149 PolarHBondContact OG-N 3.42Å; S146-N149 VanDerWaalsContact OG-N 3.15Å; N149-M152 PolarHBondContact O-N 3.23Å; N149-K153 WeakPolarHBondContact O-CB 3.34Å; N149-K153 PolarHBondContact O-N 2.74Å
150	T	95.1	Very high	94.4	Very high	42 Å²	42	32 Å²	32	26%	0.258	18%	0.179	S	C	.	.	H	α-helix	trans	-66.6	-38.2	-179.5	53.1	0	0	0	0	112.5	S146 S147 S154 L600	S146-T150 WeakPolarHBondContact O-CB 3.37Å; S146-T150 VanDerWaalsContact O-CG2 3.31Å; S146-T150 WeakPolarHBondContact O-CG2 3.41Å; S146-T150 PolarHBondContact O-N 2.85Å; S146-T150 PolarHBondContact O-OG1 2.62Å; S147-T150 WeakPolarHBondContact CA-OG1 3.46Å; S147-T150 PolarHBondContact O-OG1 2.85Å; T150-S154 WeakPolarHBondContact O-CB 3.29Å; T150-S154 PolarHBondContact O-N 3.2Å; T150-S154 PolarHBondContact O-OG 3.44Å; T150-L600 HydrophobicContact CG2-CD1 4.02Å
151	R	95.3	Very high	94.5	Very high	43 Å²	43	28.6 Å²	28.6	16%	0.162	16%	0.158	C	C	.	.	H	α-helix	trans	-61.9	-50.5	170.5	178.3	-179.7	68	-145.3	4.2	110.8	S147 K153 S154 H155 E234	S147-R151 WeakPolarHBondContact O-CB 3.39Å; S147-R151 PolarHBondContact O-N 2.9Å; R151-K153 PolarHBondContact O-N 3.39Å; R151-S154 PolarHBondContact O-N 2.86Å; R151-H155 PolarHBondContact O-CD2 3.29Å; R151-H155 PolarHBondContact O-N 3.23Å; R151-H155 VanDerWaalsContact O-N 3.09Å; R151-E234 IonicContact CZ-OE2 2.63Å; R151-E234 IonicContact NE-OE2 3.38Å; R151-E234 IonicContact NH2-OE1 3.6Å; R151-E234 IonicContact NH2-OE2 3.45Å; R151-E234 PolarHBondContact NH2-OE2 2.82Å
152	M	95.5	Very high	94.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.7	-51.1	-178.1	-177.1	175.2	-65	0	0	111.4	I117 W120 Q123 E148 N149 S154 H155 Q156 T163 Y236	I117-M152 HydrophobicContact CB-SD 4.43Å; I117-M152 HydrophobicContact CD1-CE 3.8Å; I117-M152 HydrophobicContact CD1-SD 4.41Å; I117-M152 HydrophobicContact CG2-SD 3.78Å; W120-M152 HydrophobicContact CB-CG 4.26Å; Q123-M152 HydrophobicContact CB-CE 4.29Å; Q123-M152 HydrophobicContact CB-SD 3.68Å; Q123-M152 HydrophobicContact CG-CE 3.58Å; Q123-M152 HydrophobicContact CG-SD 3.63Å; E148-M152 WeakPolarHBondContact O-CB 3.42Å; E148-M152 PolarHBondContact O-N 2.92Å; N149-M152 PolarHBondContact O-N 3.23Å; M152-S154 VanDerWaalsContact C-N 3.29Å; M152-S154 PolarHBondContact O-N 2.81Å; M152-H155 PolarHBondContact O-N 2.89Å; M152-Q156 HydrophobicContact CG-CG 4.15Å; M152-Q156 WeakPolarHBondContact O-CB 3.44Å; M152-Q156 VanDerWaalsContact O-CG 3.31Å; M152-Q156 WeakPolarHBondContact O-CG 3.3Å; M152-Q156 PolarHBondContact O-N 3.07Å; M152-T163 HydrophobicContact CE-CG2 4.01Å; M152-Y236 HydrophobicContact CB-CE1 4.48Å; M152-Y236 HydrophobicContact CG-CE1 4.3Å
153	K	95.5	Very high	94.5	Very high	7 Å²	7	29 Å²	29	3%	0.03	16%	0.161	C	C	.	.	H	α-helix	trans	-56.9	-42.5	177.2	-178.6	172.5	-176.4	179.9	0	112.4	W120 N149 R151 V157 F376 A378 L600	W120-K153 HydrophobicContact CB-CB 3.85Å; W120-K153 HydrophobicContact CB-CG 4.46Å; W120-K153 HydrophobicContact CD2-CB 3.95Å; W120-K153 HydrophobicContact CD2-CD 3.59Å; W120-K153 HydrophobicContact CD2-CG 3.72Å; W120-K153 HydrophobicContact CE3-CB 4.37Å; W120-K153 HydrophobicContact CE3-CD 3.72Å; W120-K153 HydrophobicContact CE3-CG 4.28Å; W120-K153 HydrophobicContact CG-CB 3.68Å; W120-K153 HydrophobicContact CG-CD 4.18Å; W120-K153 HydrophobicContact CG-CG 3.75Å; W120-K153 HydrophobicContact CH2-CD 4.17Å; W120-K153 HydrophobicContact CZ2-CD 4Å; W120-K153 HydrophobicContact CZ3-CD 4Å; N149-K153 WeakPolarHBondContact O-CB 3.34Å; N149-K153 PolarHBondContact O-N 2.74Å; R151-K153 PolarHBondContact O-N 3.39Å; K153-V157 HydrophobicContact CG-CG2 4.44Å; K153-V157 WeakPolarHBondContact O-CB 3.19Å; K153-V157 VanDerWaalsContact O-CG2 3.26Å; K153-V157 WeakPolarHBondContact O-CG2 3.29Å; K153-V157 PolarHBondContact O-N 2.93Å; K153-V157 VanDerWaalsContact O-N 3.1Å; K153-F376 WeakPolarHBondContact CE-O 3.33Å; K153-F376 HydrophobicContact CG-CE2 4.07Å; K153-F376 PolarHBondContact NZ-O 3.4Å; K153-A378 PolarHBondContact NZ-O 3.45Å; K153-L600 HydrophobicContact CB-CD1 4.31Å; K153-L600 HydrophobicContact CD-CD1 3.98Å; K153-L600 HydrophobicContact CD-CD2 3.91Å; K153-L600 HydrophobicContact CG-CD1 4.3Å
154	S	94.2	Very high	94.5	Very high	26 Å²	26	28.8 Å²	28.8	18%	0.182	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-48.4	-179.8	-63.2	0	0	0	0	111.7	T150 R151 M152 K158	T150-S154 WeakPolarHBondContact O-CB 3.29Å; T150-S154 PolarHBondContact O-N 3.2Å; T150-S154 PolarHBondContact O-OG 3.44Å; R151-S154 PolarHBondContact O-N 2.86Å; M152-S154 VanDerWaalsContact C-N 3.29Å; M152-S154 PolarHBondContact O-N 2.81Å; S154-K158 WeakPolarHBondContact O-CB 3.34Å; S154-K158 VanDerWaalsContact O-CG 3.29Å; S154-K158 WeakPolarHBondContact O-CG 3.43Å; S154-K158 PolarHBondContact O-N 3.42Å
155	H	94.6	Very high	94.4	Very high	41 Å²	41	28.1 Å²	28.1	19%	0.19	16%	0.157	C	C	.	.	H	α-helix	trans	-71.9	-38.9	179.6	-75.3	-67.9	0	0	0	113	R151 M152 V157 D159 S161 Y236 Y288	R151-H155 PolarHBondContact O-CD2 3.29Å; R151-H155 PolarHBondContact O-N 3.23Å; R151-H155 VanDerWaalsContact O-N 3.09Å; M152-H155 PolarHBondContact O-N 2.89Å; H155-V157 VanDerWaalsContact C-N 3.29Å; H155-V157 PolarHBondContact O-N 2.95Å; H155-D159 IonicContact CE1-OD2 2.69Å; H155-D159 IonicContact CG-OD2 3.31Å; H155-D159 IonicContact ND1-OD2 3.13Å; H155-D159 PolarHBondContact ND1-OD2 3.08Å; H155-D159 WeakPolarHBondContact O-CB 3.26Å; H155-D159 PolarHBondContact O-N 3.05Å; H155-D159 VanDerWaalsContact O-N 3.07Å; H155-S161 PolarHBondContact O-OG 3.44Å; H155-Y236 HydrophobicContact CB-CD1 3.32Å; H155-Y236 HydrophobicContact CB-CE1 3.5Å; H155-Y236 HydrophobicContact CB-CG 4.07Å; H155-Y288 AromaticContact CD2-CD1 3.8Å; H155-Y288 AromaticContact CE1-CD1 3.8Å; H155-Y288 AromaticContact CE1-CD2 3.87Å; H155-Y288 AromaticContact CE1-CG 3.61Å; H155-Y288 AromaticContact NE2-CD1 3.56Å; H155-Y288 AromaticContact NE2-CE1 3.64Å; H155-Y288 AromaticContact NE2-CG 3.84Å; H155-Y288 AromaticContact NE2-CZ 3.96Å
156	Q	94.2	Very high	94.3	Very high	4 Å²	4	27 Å²	27	2%	0.019	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-40.7	178	-73	-169.7	-8.9	0	0	111.8	I117 M152 S160 S161 T163	I117-Q156 PolarHBondContact O-NE2 3.36Å; M152-Q156 HydrophobicContact CG-CG 4.15Å; M152-Q156 WeakPolarHBondContact O-CB 3.44Å; M152-Q156 VanDerWaalsContact O-CG 3.31Å; M152-Q156 WeakPolarHBondContact O-CG 3.3Å; M152-Q156 PolarHBondContact O-N 3.07Å; Q156-S160 VanDerWaalsContact O-CA 3.29Å; Q156-S160 WeakPolarHBondContact O-CA 3.27Å; Q156-S160 PolarHBondContact O-N 3.26Å; Q156-S161 WeakPolarHBondContact CA-O 3.32Å; Q156-S161 VanDerWaalsContact CA-OG 3.31Å; Q156-S161 WeakPolarHBondContact CA-OG 3.46Å; Q156-S161 WeakPolarHBondContact CB-O 3.32Å; Q156-S161 WeakPolarHBondContact CG-O 3.27Å; Q156-S161 PolarHBondContact N-OG 2.98Å; Q156-S161 PolarHBondContact O-N 2.78Å; Q156-S161 VanDerWaalsContact O-N 3.09Å; Q156-T163 PolarHBondContact NE2-OG1 3.3Å; Q156-T163 VanDerWaalsContact NE2-OG1 3.13Å
157	V	92.2	Very high	94	Very high	26 Å²	26	28.5 Å²	28.5	16%	0.158	16%	0.159	C	C	.	.	H	α-helix	trans	-82	-53.3	-179.5	177.9	0	0	0	0	112.1	K153 H155 I369 F374 F376	K153-V157 HydrophobicContact CG-CG2 4.44Å; K153-V157 WeakPolarHBondContact O-CB 3.19Å; K153-V157 VanDerWaalsContact O-CG2 3.26Å; K153-V157 WeakPolarHBondContact O-CG2 3.29Å; K153-V157 PolarHBondContact O-N 2.93Å; K153-V157 VanDerWaalsContact O-N 3.1Å; H155-V157 VanDerWaalsContact C-N 3.29Å; H155-V157 PolarHBondContact O-N 2.95Å; V157-I369 HydrophobicContact CG2-CD1 4.07Å; V157-I369 HydrophobicContact CG2-CG1 4.22Å; V157-F374 HydrophobicContact CG1-CE1 3.62Å; V157-F374 HydrophobicContact CG1-CZ 4.07Å; V157-F374 HydrophobicContact CG2-CE1 4.22Å; V157-F374 HydrophobicContact CG2-CZ 3.78Å; V157-F376 HydrophobicContact CB-CD2 3.9Å; V157-F376 HydrophobicContact CB-CE2 3.78Å; V157-F376 HydrophobicContact CG1-CD2 3.65Å; V157-F376 HydrophobicContact CG1-CE2 3.97Å; V157-F376 HydrophobicContact CG2-CD2 3.9Å; V157-F376 HydrophobicContact CG2-CE2 3.95Å
158	K	90.9	Very high	93.9	Very high	108 Å²	108	24.3 Å²	24.3	47%	0.47	13%	0.129	S	C	.	.	H	α-helix	trans	-69.9	-38.5	-171.8	-66.6	179.1	176.8	179.9	0	112	S154 D599	S154-K158 WeakPolarHBondContact O-CB 3.34Å; S154-K158 VanDerWaalsContact O-CG 3.29Å; S154-K158 WeakPolarHBondContact O-CG 3.43Å; S154-K158 PolarHBondContact O-N 3.42Å; K158-D599 IonicContact NZ-OD1 3.25Å; K158-D599 PolarHBondContact NZ-OD1 3.02Å
159	D	91.7	Very high	93.7	Very high	61 Å²	61	26.4 Å²	26.4	33%	0.326	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-4.2	-176.5	-50.6	-37.3	0	0	0	112.2	H155 Q287	H155-D159 IonicContact CE1-OD2 2.69Å; H155-D159 IonicContact CG-OD2 3.31Å; H155-D159 IonicContact ND1-OD2 3.13Å; H155-D159 PolarHBondContact ND1-OD2 3.08Å; H155-D159 WeakPolarHBondContact O-CB 3.26Å; H155-D159 PolarHBondContact O-N 3.05Å; H155-D159 VanDerWaalsContact O-N 3.07Å; D159-Q287 VanDerWaalsContact CB-OE1 3.28Å; D159-Q287 VanDerWaalsContact O-CD 3.29Å; D159-Q287 PolarHBondContact O-NE2 3.11Å; D159-Q287 PolarHBondContact O-OE1 3.15Å
160	S	92.8	Very high	93.6	Very high	75 Å²	75	26.6 Å²	26.6	52%	0.524	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	56	-171.2	-56.8	0	0	0	0	111.1	Q156 S239	Q156-S160 VanDerWaalsContact O-CA 3.29Å; Q156-S160 WeakPolarHBondContact O-CA 3.27Å; Q156-S160 PolarHBondContact O-N 3.26Å; S160-S239 VanDerWaalsContact O-CB 3.25Å; S160-S239 WeakPolarHBondContact O-CB 3.35Å; S160-S239 PolarHBondContact O-N 3.05Å; S160-S239 PolarHBondContact O-OG 2.81Å
161	S	94.7	Very high	93.5	Very high	3 Å²	3	26 Å²	26	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	158	-175	64.8	0	0	0	0	114.2	H155 Q156 L237 S239 Q287	H155-S161 PolarHBondContact O-OG 3.44Å; Q156-S161 WeakPolarHBondContact CA-O 3.32Å; Q156-S161 VanDerWaalsContact CA-OG 3.31Å; Q156-S161 WeakPolarHBondContact CA-OG 3.46Å; Q156-S161 WeakPolarHBondContact CB-O 3.32Å; Q156-S161 WeakPolarHBondContact CG-O 3.27Å; Q156-S161 PolarHBondContact N-OG 2.98Å; Q156-S161 PolarHBondContact O-N 2.78Å; Q156-S161 VanDerWaalsContact O-N 3.09Å; S161-L237 CarbonylContact C-O 3.58Å; S161-L237 WeakPolarHBondContact CA-O 3.27Å; S161-L237 VanDerWaalsContact CB-O 3.27Å; S161-L237 WeakPolarHBondContact CB-O 3.22Å; S161-S239 WeakPolarHBondContact CA-OG 3.38Å; S161-S239 PolarHBondContact N-OG 3.43Å; S161-S239 PolarHBondContact O-OG 2.91Å; S161-Q287 VanDerWaalsContact CB-OE1 3.28Å
162	T	94.7	Very high	93.4	Very high	15 Å²	15	25.1 Å²	25.1	9%	0.092	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.3	167.5	-64.8	0	0	0	0	108.3	I116 L237 S239 V242	I116-T162 HydrophobicContact CG2-CG2 3.6Å; T162-L237 PolarHBondContact N-O 3.08Å; T162-L237 PolarHBondContact O-N 3.23Å; T162-S239 PolarHBondContact OG1-OG 2.74Å; T162-V242 HydrophobicContact CG2-CB 4.48Å; T162-V242 HydrophobicContact CG2-CG1 4.13Å; T162-V242 HydrophobicContact CG2-CG2 4.28Å
163	T	95.5	Very high	93.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132	-173.8	-51.1	0	0	0	0	111.4	I116 I117 M152 Q156 E234 D235 Y236	I116-T163 CarbonylContact C-O 3.42Å; I116-T163 WeakPolarHBondContact CA-O 3.16Å; I117-T163 PolarHBondContact N-O 3.02Å; I117-T163 PolarHBondContact O-N 3.18Å; I117-T163 VanDerWaalsContact O-N 3.17Å; M152-T163 HydrophobicContact CE-CG2 4.01Å; Q156-T163 PolarHBondContact NE2-OG1 3.3Å; Q156-T163 VanDerWaalsContact NE2-OG1 3.13Å; T163-E234 HydrophobicContact CG2-CB 4.28Å; T163-D235 CarbonylContact C-O 3.58Å; T163-D235 WeakPolarHBondContact CA-O 3.48Å; T163-Y236 HydrophobicContact CG2-CE1 4.27Å; T163-Y236 HydrophobicContact CG2-CE2 4.37Å; T163-Y236 WeakPolarHBondContact OG1-CD1 3.23Å; T163-Y236 VanDerWaalsContact OG1-CE1 3.31Å; T163-Y236 WeakPolarHBondContact OG1-CE1 3.31Å
164	A	94.4	Very high	93.6	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.008	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128	166	0	0	0	0	0	109.2	E115 I116 E234 D235 L237 A256	E115-A164 CarbonylContact O-C 3.57Å; E115-A164 VanDerWaalsContact O-CA 3.32Å; E115-A164 WeakPolarHBondContact O-CA 3.47Å; I116-A164 HydrophobicContact CD1-CB 3.65Å; A164-E234 WeakPolarHBondContact O-CA 3.43Å; A164-D235 PolarHBondContact N-O 3.11Å; A164-D235 PolarHBondContact O-N 3.15Å; A164-L237 HydrophobicContact CB-CD1 3.92Å; A164-A256 HydrophobicContact CB-CB 4.19Å
165	R	94.3	Very high	93.7	Very high	7 Å²	7	24.2 Å²	24.2	3%	0.026	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.4	179.6	-175.9	-172.8	-62.5	153.4	-13.3	111.5	S114 E115 K124 V232 Q233 E234	S114-R165 CarbonylContact C-O 3.55Å; S114-R165 WeakPolarHBondContact CA-O 3.38Å; S114-R165 WeakPolarHBondContact CB-O 2.96Å; E115-R165 HydrophobicContact CG-CB 3.73Å; E115-R165 PolarHBondContact N-O 2.87Å; E115-R165 PolarHBondContact O-N 3.36Å; E115-R165 VanDerWaalsContact OE1-CD 3.27Å; E115-R165 WeakPolarHBondContact OE1-CD 3.11Å; E115-R165 IonicContact OE1-CZ 3.62Å; E115-R165 IonicContact OE1-NE 3.85Å; E115-R165 IonicContact OE1-NH1 3.78Å; E115-R165 PolarHBondContact OE1-NH1 3.42Å; K124-R165 PolarHBondContact O-NH1 3.04Å; R165-V232 HydrophobicContact CG-CG1 3.66Å; R165-Q233 VanDerWaalsContact CA-O 3.29Å; R165-Q233 WeakPolarHBondContact CA-O 3.36Å; R165-E234 HydrophobicContact CB-CG 4.47Å; R165-E234 HydrophobicContact CG-CG 4.15Å; R165-E234 IonicContact CZ-OE1 3.7Å; R165-E234 IonicContact NE-OE1 3.51Å; R165-E234 PolarHBondContact NE-OE1 3.2Å; R165-E234 IonicContact NH2-OE1 3.62Å; R165-E234 PolarHBondContact NH2-OE1 3.19Å
166	V	92.8	Very high	93.9	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.024	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.9	171.9	-178.9	0	0	0	0	108.2	S114 V232 Q233 A256 F260	S114-V166 VanDerWaalsContact CB-CG2 3.41Å; V166-V232 CarbonylContact O-C 3.5Å; V166-V232 WeakPolarHBondContact O-CA 3.41Å; V166-Q233 PolarHBondContact N-O 3.17Å; V166-Q233 PolarHBondContact O-N 3.46Å; V166-A256 HydrophobicContact CG2-CB 4.04Å; V166-F260 HydrophobicContact CB-CB 4.21Å; V166-F260 HydrophobicContact CB-CG 4.25Å; V166-F260 HydrophobicContact CG1-CB 3.97Å; V166-F260 HydrophobicContact CG1-CD1 3.58Å; V166-F260 HydrophobicContact CG1-CE1 4.17Å; V166-F260 HydrophobicContact CG1-CG 3.78Å; V166-F260 HydrophobicContact CG2-CB 4.41Å
167	Q	90.9	Very high	94	Very high	34 Å²	34	26.3 Å²	26.3	16%	0.159	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147	179.6	62.5	178.8	11.1	0	0	113.3	E111 L231 V232	E111-Q167 HydrophobicContact CB-CG 4.46Å; E111-Q167 PolarHBondContact N-O 2.9Å; E111-Q167 WeakPolarHBondContact OE2-CG 3.45Å; E111-Q167 PolarHBondContact OE2-NE2 2.89Å; Q167-L231 CarbonylContact C-O 3.38Å; Q167-L231 WeakPolarHBondContact CA-O 3.35Å; Q167-V232 HydrophobicContact CB-CG2 4.04Å
168	V	91.5	Very high	94.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.1	163.5	-178.5	0	0	0	0	107.9	V110 S230 L231 F260 L305 W308	V110-V168 HydrophobicContact CG1-CG2 4.23Å; V110-V168 HydrophobicContact CG2-CG1 3.98Å; V168-S230 CarbonylContact O-C 3.56Å; V168-S230 WeakPolarHBondContact O-CA 3.43Å; V168-L231 HydrophobicContact CB-CB 4.49Å; V168-L231 PolarHBondContact N-O 3.34Å; V168-L231 PolarHBondContact O-N 3.48Å; V168-F260 HydrophobicContact CG2-CE1 3.61Å; V168-F260 HydrophobicContact CG2-CZ 3.87Å; V168-L305 HydrophobicContact CG1-CD1 4.13Å; V168-L305 HydrophobicContact CG2-CD1 4.27Å; V168-W308 HydrophobicContact CB-CZ3 4.47Å; V168-W308 HydrophobicContact CG1-CZ3 4Å
169	R	91.6	Very high	93.9	Very high	56 Å²	56	30.2 Å²	30.2	21%	0.211	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	123	-173	-164.9	176.3	169.2	95.4	2.5	110.6	G109 T126 I319	G109-R169 PolarHBondContact N-O 3.27Å; G109-R169 PolarHBondContact O-N 3.23Å; T126-R169 PolarHBondContact O-NH1 3.42Å; R169-I319 HydrophobicContact CG-CD1 3.99Å; R169-I319 VanDerWaalsContact CZ-O 3.23Å; R169-I319 PolarHBondContact NH1-O 3.09Å; R169-I319 PolarHBondContact NH2-O 3.24Å
170	N	92.8	Very high	93.7	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.027	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	109.1	174.5	-61.9	-4.1	0	0	0	107.7	T108 I172 G228 A229 T312 I319	T108-N170 WeakPolarHBondContact CG2-OD1 3.18Å; N170-I172 HydrophobicContact CB-CD1 4.37Å; N170-G228 CarbonylContact O-C 3.46Å; N170-G228 WeakPolarHBondContact O-CA 3.46Å; N170-A229 PolarHBondContact N-O 2.79Å; N170-A229 PolarHBondContact O-N 2.91Å; N170-T312 HydrophobicContact CB-CG2 4.01Å; N170-T312 PolarHBondContact ND2-OG1 2.89Å; N170-I319 WeakPolarHBondContact O-CD1 3.32Å
171	F	93.3	Very high	93.6	Very high	30 Å²	30	30.6 Å²	30.6	13%	0.132	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	105	-177.2	174.3	-149.2	0	0	0	110.4	Q105 K106 E107 Y173 T174 D226 I319	Q105-F171 HydrophobicContact CB-CD1 4Å; Q105-F171 HydrophobicContact CB-CD2 4.48Å; Q105-F171 HydrophobicContact CB-CE1 3.92Å; Q105-F171 HydrophobicContact CB-CE2 4.38Å; Q105-F171 HydrophobicContact CB-CG 4.32Å; Q105-F171 HydrophobicContact CB-CZ 4.17Å; Q105-F171 HydrophobicContact CG-CD1 4.22Å; Q105-F171 HydrophobicContact CG-CE1 3.63Å; Q105-F171 HydrophobicContact CG-CE2 3.93Å; Q105-F171 HydrophobicContact CG-CZ 3.51Å; K106-F171 PolarHBondContact N-O 3.15Å; E107-F171 HydrophobicContact CB-CB 4.31Å; E107-F171 HydrophobicContact CB-CD1 4.32Å; E107-F171 PolarHBondContact N-O 3.19Å; E107-F171 CarbonylContact O-C 3.53Å; E107-F171 PolarHBondContact O-N 3.21Å; E107-F171 VanDerWaalsContact O-O 3.11Å; F171-Y173 VanDerWaalsContact CE2-O 3.31Å; F171-Y173 WeakPolarHBondContact CE2-O 3.34Å; F171-T174 WeakPolarHBondContact CZ-OG1 3.48Å; F171-D226 HydrophobicContact CD2-CB 3.89Å; F171-D226 HydrophobicContact CE2-CB 3.35Å; F171-D226 VanDerWaalsContact CE2-OD1 3.29Å; F171-D226 WeakPolarHBondContact CE2-OD1 3.45Å; F171-D226 HydrophobicContact CZ-CB 4Å; F171-D226 VanDerWaalsContact CZ-OD1 3.24Å; F171-D226 WeakPolarHBondContact CZ-OD1 3.32Å; F171-I319 HydrophobicContact CB-CD1 4.07Å; F171-I319 HydrophobicContact CD2-CD1 4.27Å
172	I	94.1	Very high	93.5	Very high	24 Å²	24	33.4 Å²	33.4	12%	0.123	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-49.3	-167.3	-51.8	-55.3	0	0	0	111.3	Q105 K106 N170 A227 T312 L316	Q105-I172 PolarHBondContact N-O 3.01Å; K106-I172 PolarHBondContact N-O 3.33Å; N170-I172 HydrophobicContact CB-CD1 4.37Å; I172-A227 PolarHBondContact N-O 3.2Å; I172-T312 HydrophobicContact CD1-CG2 4.36Å; I172-T312 HydrophobicContact CG1-CG2 4.09Å; I172-L316 HydrophobicContact CB-CD2 4.14Å; I172-L316 HydrophobicContact CG1-CD2 3.74Å
173	Y	95.9	Very high	93.6	Very high	6 Å²	6	33.9 Å²	33.9	2%	0.024	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	147.9	-176.7	-56.7	-67.1	0	0	0	112.2	D91 Y94 V102 I103 P104 F171 A227 L316	D91-Y173 PolarHBondContact OD2-OH 3.1Å; Y94-Y173 HydrophobicContact CD2-CE2 4.16Å; Y94-Y173 AromaticContact CE2-CE2 3.63Å; Y94-Y173 HydrophobicContact CE2-CE2 3.63Å; V102-Y173 HydrophobicContact CG1-CD1 3.56Å; V102-Y173 HydrophobicContact CG1-CE1 4.42Å; V102-Y173 HydrophobicContact CG1-CG 3.74Å; I103-Y173 WeakPolarHBondContact O-CA 3.19Å; P104-Y173 HydrophobicContact CB-CD1 4.44Å; P104-Y173 HydrophobicContact CB-CE1 4.44Å; F171-Y173 VanDerWaalsContact CE2-O 3.31Å; F171-Y173 WeakPolarHBondContact CE2-O 3.34Å; Y173-A227 PolarHBondContact N-O 3.27Å; Y173-A227 VanDerWaalsContact N-O 3.14Å; Y173-A227 PolarHBondContact O-N 2.87Å; Y173-L316 HydrophobicContact CD2-CD1 3.78Å; Y173-L316 HydrophobicContact CE2-CD1 3.73Å
174	T	97.8	Very high	93.5	Very high	8 Å²	8	34.5 Å²	34.5	5%	0.049	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.4	156.3	-54.1	0	0	0	0	108.7	V102 I103 Q105 F171 K176 S224 I225 D226	V102-T174 WeakPolarHBondContact CA-O 3.35Å; I103-T174 PolarHBondContact N-O 3.44Å; I103-T174 PolarHBondContact O-N 3.5Å; Q105-T174 PolarHBondContact NE2-OG1 3.09Å; F171-T174 WeakPolarHBondContact CZ-OG1 3.48Å; T174-K176 HydrophobicContact CG2-CD 4.43Å; T174-K176 HydrophobicContact CG2-CG 4.03Å; T174-S224 WeakPolarHBondContact CG2-OG 3.43Å; T174-I225 WeakPolarHBondContact CA-O 3.41Å; T174-D226 PolarHBondContact OG1-OD1 3.06Å
175	V	97.9	Very high	93.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120	-179	-170.5	0	0	0	0	108.5	L59 P63 V100 V102 S224 I225 A227	L59-V175 HydrophobicContact CD2-CG1 4.22Å; L59-V175 HydrophobicContact CD2-CG2 3.64Å; P63-V175 HydrophobicContact CG-CG1 4.27Å; V100-V175 HydrophobicContact CG1-CG1 3.39Å; V102-V175 HydrophobicContact CG2-CG1 4.22Å; V102-V175 HydrophobicContact CG2-CG2 4.41Å; V175-S224 CarbonylContact O-C 3.42Å; V175-S224 VanDerWaalsContact O-CA 3.32Å; V175-S224 WeakPolarHBondContact O-CA 3.16Å; V175-I225 PolarHBondContact N-O 3.21Å; V175-I225 PolarHBondContact O-N 2.89Å; V175-A227 HydrophobicContact CG2-CB 4.14Å
176	K	98	Very high	93.3	Very high	77 Å²	77	45.3 Å²	45.3	34%	0.335	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144.1	-174.7	-67.4	-169.6	176.6	-175.9	0	112.1	V100 F101 I103 T174 T223 S224	V100-K176 WeakPolarHBondContact CA-O 3.32Å; F101-K176 HydrophobicContact CD1-CB 4.09Å; F101-K176 HydrophobicContact CD2-CB 4.46Å; F101-K176 HydrophobicContact CE1-CB 3.51Å; F101-K176 HydrophobicContact CE2-CB 3.95Å; F101-K176 HydrophobicContact CE2-CD 4.06Å; F101-K176 HydrophobicContact CE2-CG 4.41Å; F101-K176 HydrophobicContact CZ-CB 3.44Å; F101-K176 VanDerWaalsContact CZ-CB 3.44Å; F101-K176 HydrophobicContact CZ-CD 3.72Å; F101-K176 HydrophobicContact CZ-CG 4.13Å; F101-K176 PolarHBondContact N-O 3.39Å; F101-K176 PolarHBondContact O-N 3.02Å; I103-K176 HydrophobicContact CD1-CD 4.32Å; T174-K176 HydrophobicContact CG2-CD 4.43Å; T174-K176 HydrophobicContact CG2-CG 4.03Å; K176-T223 WeakPolarHBondContact CA-O 3.35Å; K176-S224 WeakPolarHBondContact CE-OG 2.91Å; K176-S224 WeakPolarHBondContact CG-OG 3.31Å
177	A	96.8	Very high	93.5	Very high	12 Å²	12	45.1 Å²	45.1	10%	0.099	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	146.2	167.4	0	0	0	0	0	110.5	P63 M79 F181 T223	P63-A177 HydrophobicContact CB-CB 4.38Å; P63-A177 HydrophobicContact CG-CB 4.1Å; M79-A177 HydrophobicContact CE-CB 4.1Å; M79-A177 HydrophobicContact SD-CB 3.56Å; M79-A177 VanDerWaalsContact SD-CB 3.56Å; A177-F181 HydrophobicContact CB-CD1 3.91Å; A177-F181 HydrophobicContact CB-CE1 4.42Å; A177-T223 PolarHBondContact N-O 3.27Å
178	Y	93.9	Very high	93.7	Very high	89 Å²	89	44.9 Å²	44.9	35%	0.349	23%	0.231	S	C	.	.			trans	-65.6	143.4	168.5	-75.2	-73.1	0	0	0	111	E99 F101 D180 F181	E99-Y178 WeakPolarHBondContact O-CD2 3.46Å; E99-Y178 PolarHBondContact O-N 3.24Å; F101-Y178 HydrophobicContact CB-CE2 4.39Å; F101-Y178 HydrophobicContact CD1-CD1 4Å; F101-Y178 AromaticContact CD1-CE1 3.81Å; F101-Y178 HydrophobicContact CD1-CE1 3.81Å; F101-Y178 HydrophobicContact CD1-CE2 4.33Å; F101-Y178 HydrophobicContact CD1-CG 4.34Å; F101-Y178 AromaticContact CD1-CZ 3.99Å; F101-Y178 HydrophobicContact CE1-CD1 4.31Å; F101-Y178 HydrophobicContact CE1-CE1 4.41Å; F101-Y178 HydrophobicContact CG-CE1 4.43Å; Y178-D180 PolarHBondContact O-N 2.93Å; Y178-D180 VanDerWaalsContact O-N 3.11Å; Y178-F181 WeakPolarHBondContact O-CB 3.31Å; Y178-F181 WeakPolarHBondContact O-CD1 3.49Å; Y178-F181 PolarHBondContact O-N 2.77Å; Y178-F181 VanDerWaalsContact O-N 3.16Å
179	P	86.3	Confident	93.7	Very high	128 Å²	128	49.7 Å²	49.7	83%	0.831	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.3	-176.3	-26	35.4	0	0	0	115.4
180	D	86.9	Confident	93.9	Very high	133 Å²	133	47.8 Å²	47.8	71%	0.711	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	22.4	-177.8	59.9	-29.8	0	0	0	113.4	Y178	Y178-D180 PolarHBondContact O-N 2.93Å; Y178-D180 VanDerWaalsContact O-N 3.11Å
181	F	92.6	Very high	94	Very high	11 Å²	11	47.6 Å²	47.6	5%	0.048	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-52.4	147.2	-179.3	69.2	-106.9	0	0	0	113.3	M79 E99 A177 Y178 L183 V221 F329	M79-F181 HydrophobicContact CB-CD2 3.68Å; M79-F181 HydrophobicContact CB-CE2 3.68Å; M79-F181 HydrophobicContact CB-CG 4.4Å; M79-F181 HydrophobicContact CB-CZ 4.45Å; M79-F181 HydrophobicContact CG-CB 3.93Å; M79-F181 HydrophobicContact CG-CD2 3.36Å; M79-F181 HydrophobicContact CG-CE2 3.92Å; M79-F181 HydrophobicContact CG-CG 3.74Å; M79-F181 HydrophobicContact SD-CB 3.57Å; M79-F181 VanDerWaalsContact SD-CB 3.57Å; M79-F181 HydrophobicContact SD-CD1 3.87Å; M79-F181 HydrophobicContact SD-CD2 3.75Å; M79-F181 HydrophobicContact SD-CE1 4.49Å; M79-F181 HydrophobicContact SD-CE2 4.34Å; M79-F181 HydrophobicContact SD-CG 3.48Å; M79-F181 WeakPolarHBondContact SD-CG 3.39Å; E99-F181 HydrophobicContact CB-CB 4.25Å; A177-F181 HydrophobicContact CB-CD1 3.91Å; A177-F181 HydrophobicContact CB-CE1 4.42Å; Y178-F181 WeakPolarHBondContact O-CB 3.31Å; Y178-F181 WeakPolarHBondContact O-CD1 3.49Å; Y178-F181 PolarHBondContact O-N 2.77Å; Y178-F181 VanDerWaalsContact O-N 3.16Å; F181-L183 HydrophobicContact CD2-CD2 4.19Å; F181-L183 HydrophobicContact CE2-CD2 3.56Å; F181-L183 HydrophobicContact CZ-CD2 4.37Å; F181-V221 HydrophobicContact CZ-CG1 4.5Å; F181-F329 AromaticContact CE1-CD1 3.88Å; F181-F329 HydrophobicContact CE1-CD1 3.88Å; F181-F329 AromaticContact CE1-CE1 3.55Å; F181-F329 HydrophobicContact CE1-CE1 3.55Å; F181-F329 HydrophobicContact CE2-CD1 4.48Å; F181-F329 AromaticContact CZ-CD1 3.49Å; F181-F329 HydrophobicContact CZ-CD1 3.49Å; F181-F329 VanDerWaalsContact CZ-CD1 3.49Å; F181-F329 AromaticContact CZ-CE1 3.55Å; F181-F329 HydrophobicContact CZ-CE1 3.55Å; F181-F329 HydrophobicContact CZ-CG 4.41Å
182	T	92.6	Very high	93.9	Very high	62 Å²	62	49 Å²	49	38%	0.38	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-75	134.8	177.1	56.1	0	0	0	0	112.2	N80	N80-T182 WeakPolarHBondContact CB-O 3.36Å; N80-T182 PolarHBondContact N-O 3.41Å
183	L	94.8	Very high	93.7	Very high	24 Å²	24	50.9 Å²	50.9	13%	0.126	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-77.2	147.1	179.8	-61.3	-177.6	0	0	0	112.3	V78 F181 F187 V188 T334 F335	V78-L183 HydrophobicContact CG1-CD2 4.18Å; V78-L183 CarbonylContact O-C 3.55Å; V78-L183 WeakPolarHBondContact O-CA 3.29Å; F181-L183 HydrophobicContact CD2-CD2 4.19Å; F181-L183 HydrophobicContact CE2-CD2 3.56Å; F181-L183 HydrophobicContact CZ-CD2 4.37Å; L183-F187 HydrophobicContact CB-CD1 4.48Å; L183-F187 HydrophobicContact CD1-CD1 4.1Å; L183-F187 HydrophobicContact CD1-CE1 4.08Å; L183-F187 HydrophobicContact CD2-CD1 4.48Å; L183-V188 HydrophobicContact CB-CG2 3.58Å; L183-V188 HydrophobicContact CD1-CG2 4.18Å; L183-T334 HydrophobicContact CD1-CG2 4.31Å; L183-F335 HydrophobicContact CD1-CD2 4.44Å; L183-F335 HydrophobicContact CD1-CE2 3.49Å; L183-F335 VanDerWaalsContact CD1-CE2 3.49Å; L183-F335 HydrophobicContact CD1-CZ 3.56Å
184	D	94.4	Very high	93.5	Very high	14 Å²	14	50.6 Å²	50.6	8%	0.075	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-64	137.1	172.4	-175.4	-79	0	0	0	110.6	V78 R186 F187 V188	V78-D184 PolarHBondContact O-N 2.98Å; D184-R186 PolarHBondContact O-N 2.82Å; D184-R186 VanDerWaalsContact OD1-CB 3.29Å; D184-R186 WeakPolarHBondContact OD1-CB 3.43Å; D184-R186 PolarHBondContact OD1-N 3.02Å; D184-F187 HydrophobicContact CB-CB 4.44Å; D184-F187 WeakPolarHBondContact O-CB 3.12Å; D184-F187 PolarHBondContact O-N 3.29Å; D184-F187 VanDerWaalsContact O-N 3.13Å; D184-V188 WeakPolarHBondContact O-CG2 3.37Å; D184-V188 PolarHBondContact O-N 2.86Å
185	S	92.6	Very high	93.1	Very high	82 Å²	82	50.2 Å²	50.2	57%	0.573	26%	0.259	S	S	*	.	H	α-helix	trans	-61.9	-27.9	-174.1	59.2	0	0	0	0	113.7	Q189	S185-Q189 WeakPolarHBondContact O-CB 3.37Å; S185-Q189 PolarHBondContact O-N 2.86Å
186	R	92.9	Very high	92.5	Very high	152 Å²	152	51.4 Å²	51.4	57%	0.574	27%	0.265	S	S	*	.	H	α-helix	trans	-75.6	-39.6	177.7	-59.8	177.4	178.4	-173.6	-1.2	111.5	D184 V188 Q189 Q190	D184-R186 PolarHBondContact O-N 2.82Å; D184-R186 VanDerWaalsContact OD1-CB 3.29Å; D184-R186 WeakPolarHBondContact OD1-CB 3.43Å; D184-R186 PolarHBondContact OD1-N 3.02Å; R186-V188 VanDerWaalsContact C-N 3.34Å; R186-Q189 PolarHBondContact O-N 2.85Å; R186-Q190 PolarHBondContact O-N 3.27Å; R186-Q190 VanDerWaalsContact O-N 3.12Å
187	F	95.7	Very high	91.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.4	-47.8	172.9	179.3	-97.3	0	0	0	109.9	V78 L183 D184 Q189 Q190 V191 M213 Y217 I326 I330 F335	V78-F187 HydrophobicContact CB-CD2 4.46Å; V78-F187 HydrophobicContact CG1-CD1 3.92Å; V78-F187 HydrophobicContact CG1-CD2 4.08Å; V78-F187 HydrophobicContact CG1-CE1 3.92Å; V78-F187 HydrophobicContact CG1-CE2 4.09Å; V78-F187 HydrophobicContact CG1-CG 3.99Å; V78-F187 HydrophobicContact CG1-CZ 4.01Å; V78-F187 HydrophobicContact CG2-CD2 3.97Å; V78-F187 HydrophobicContact CG2-CE2 4.16Å; L183-F187 HydrophobicContact CB-CD1 4.48Å; L183-F187 HydrophobicContact CD1-CD1 4.1Å; L183-F187 HydrophobicContact CD1-CE1 4.08Å; L183-F187 HydrophobicContact CD2-CD1 4.48Å; D184-F187 HydrophobicContact CB-CB 4.44Å; D184-F187 WeakPolarHBondContact O-CB 3.12Å; D184-F187 PolarHBondContact O-N 3.29Å; D184-F187 VanDerWaalsContact O-N 3.13Å; F187-Q189 VanDerWaalsContact C-N 3.32Å; F187-Q189 PolarHBondContact O-N 3.08Å; F187-Q190 PolarHBondContact O-N 3.42Å; F187-V191 HydrophobicContact CD1-CG2 4.39Å; F187-V191 HydrophobicContact CE1-CG2 4Å; F187-V191 HydrophobicContact CZ-CG2 4.2Å; F187-V191 WeakPolarHBondContact O-CG2 3.1Å; F187-V191 PolarHBondContact O-N 2.82Å; F187-V191 VanDerWaalsContact O-N 3.11Å; F187-M213 HydrophobicContact CD2-CE 3.55Å; F187-M213 HydrophobicContact CE1-CE 4.38Å; F187-M213 HydrophobicContact CE2-CE 3.17Å; F187-M213 HydrophobicContact CE2-SD 4.11Å; F187-M213 HydrophobicContact CG-CE 4.28Å; F187-M213 HydrophobicContact CZ-CE 3.66Å; F187-Y217 HydrophobicContact CB-CE1 4.09Å; F187-Y217 AromaticContact CD2-CD1 3.97Å; F187-Y217 HydrophobicContact CD2-CD1 3.97Å; F187-Y217 HydrophobicContact CD2-CD2 4.08Å; F187-Y217 HydrophobicContact CD2-CE1 4.09Å; F187-Y217 HydrophobicContact CD2-CE2 4.22Å; F187-Y217 AromaticContact CD2-CG 3.96Å; F187-Y217 HydrophobicContact CD2-CG 3.96Å; F187-Y217 HydrophobicContact CE2-CG 4.46Å; F187-Y217 PolarHBondContact N-OH 3.34Å; F187-I326 HydrophobicContact CE2-CD1 3.57Å; F187-I326 HydrophobicContact CE2-CG1 3.81Å; F187-I326 HydrophobicContact CZ-CD1 4.24Å; F187-I326 HydrophobicContact CZ-CG1 3.96Å; F187-I330 HydrophobicContact CZ-CD1 4.45Å; F187-I330 HydrophobicContact CZ-CG1 4.25Å; F187-F335 HydrophobicContact CE1-CZ 4.42Å
188	V	94.9	Very high	91.4	Very high	30 Å²	30	48.9 Å²	48.9	18%	0.182	25%	0.254	C	S	.	.	H	α-helix	trans	-56.7	-43.8	175.5	169.8	0	0	0	0	111.9	L183 D184 R186 Q190 V191 K192 F335	L183-V188 HydrophobicContact CB-CG2 3.58Å; L183-V188 HydrophobicContact CD1-CG2 4.18Å; D184-V188 WeakPolarHBondContact O-CG2 3.37Å; D184-V188 PolarHBondContact O-N 2.86Å; R186-V188 VanDerWaalsContact C-N 3.34Å; V188-Q190 PolarHBondContact O-N 3.37Å; V188-V191 PolarHBondContact O-N 3.13Å; V188-K192 HydrophobicContact CG1-CD 4.18Å; V188-K192 WeakPolarHBondContact O-CG 3.44Å; V188-K192 PolarHBondContact O-N 2.84Å; V188-F335 HydrophobicContact CB-CE1 4.19Å; V188-F335 HydrophobicContact CG1-CE1 3.93Å; V188-F335 HydrophobicContact CG2-CE1 4.1Å; V188-F335 HydrophobicContact CG2-CZ 4.24Å
189	Q	92.4	Very high	90.8	Very high	101 Å²	101	45.6 Å²	45.6	47%	0.472	24%	0.244	S	C	.	.	H	α-helix	trans	-62.2	-42.9	178.9	-174.9	58.7	51.2	0	0	112	S185 R186 F187 V191 K192 D193	S185-Q189 WeakPolarHBondContact O-CB 3.37Å; S185-Q189 PolarHBondContact O-N 2.86Å; R186-Q189 PolarHBondContact O-N 2.85Å; F187-Q189 VanDerWaalsContact C-N 3.32Å; F187-Q189 PolarHBondContact O-N 3.08Å; Q189-V191 PolarHBondContact O-N 2.97Å; Q189-K192 WeakPolarHBondContact O-CB 3.43Å; Q189-K192 PolarHBondContact O-N 3.29Å; Q189-K192 VanDerWaalsContact O-N 3.15Å; Q189-D193 PolarHBondContact NE2-OD1 3.21Å; Q189-D193 VanDerWaalsContact O-CG 3.27Å; Q189-D193 PolarHBondContact O-N 3.44Å
190	Q	94.5	Very high	90.3	Very high	16 Å²	16	40.7 Å²	40.7	8%	0.075	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-36.6	179.2	-168.8	169.5	23.4	0	0	112.4	R186 F187 V188 K192 D193 I194 M213	R186-Q190 PolarHBondContact O-N 3.27Å; R186-Q190 VanDerWaalsContact O-N 3.12Å; F187-Q190 PolarHBondContact O-N 3.42Å; V188-Q190 PolarHBondContact O-N 3.37Å; Q190-K192 VanDerWaalsContact C-N 3.32Å; Q190-K192 PolarHBondContact O-N 3.25Å; Q190-D193 PolarHBondContact O-N 3.29Å; Q190-I194 WeakPolarHBondContact O-CG1 3.37Å; Q190-I194 PolarHBondContact O-N 3.38Å; Q190-M213 HydrophobicContact CB-CE 4.16Å; Q190-M213 HydrophobicContact CG-CB 4.35Å; Q190-M213 HydrophobicContact CG-CE 4.32Å
191	V	95.8	Very high	90	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-44.1	171.1	176.5	0	0	0	0	110.7	F187 V188 Q189 D193 I194 A195 M213 I330 F335 V346	F187-V191 HydrophobicContact CD1-CG2 4.39Å; F187-V191 HydrophobicContact CE1-CG2 4Å; F187-V191 HydrophobicContact CZ-CG2 4.2Å; F187-V191 WeakPolarHBondContact O-CG2 3.1Å; F187-V191 PolarHBondContact O-N 2.82Å; F187-V191 VanDerWaalsContact O-N 3.11Å; V188-V191 PolarHBondContact O-N 3.13Å; Q189-V191 PolarHBondContact O-N 2.97Å; V191-D193 VanDerWaalsContact C-N 3.34Å; V191-D193 PolarHBondContact O-N 2.77Å; V191-I194 PolarHBondContact O-N 3Å; V191-A195 WeakPolarHBondContact O-CB 3.44Å; V191-A195 PolarHBondContact O-N 3.44Å; V191-M213 HydrophobicContact CG2-CE 3.36Å; V191-M213 HydrophobicContact CG2-SD 4.45Å; V191-I330 HydrophobicContact CG1-CG2 4.04Å; V191-I330 HydrophobicContact CG2-CD1 4.08Å; V191-I330 HydrophobicContact CG2-CG1 4.23Å; V191-F335 HydrophobicContact CB-CE1 3.65Å; V191-F335 HydrophobicContact CB-CZ 3.68Å; V191-F335 HydrophobicContact CG1-CD1 4.02Å; V191-F335 HydrophobicContact CG1-CD2 4.47Å; V191-F335 HydrophobicContact CG1-CE1 3.55Å; V191-F335 HydrophobicContact CG1-CE2 4.08Å; V191-F335 HydrophobicContact CG1-CG 4.46Å; V191-F335 HydrophobicContact CG1-CZ 3.62Å; V191-F335 HydrophobicContact CG2-CE1 4.13Å; V191-F335 HydrophobicContact CG2-CE2 4.34Å; V191-F335 HydrophobicContact CG2-CZ 3.62Å; V191-V346 HydrophobicContact CG1-CG1 3.89Å
192	K	92.1	Very high	89.3	Confident	59 Å²	59	42.6 Å²	42.6	26%	0.257	22%	0.221	S	C	.	.	H	α-helix	trans	-63	-38.6	176.8	-72.3	179.1	176.5	-175.4	0	111.9	V188 Q189 Q190 A195 D196 D337 L338	V188-K192 HydrophobicContact CG1-CD 4.18Å; V188-K192 WeakPolarHBondContact O-CG 3.44Å; V188-K192 PolarHBondContact O-N 2.84Å; Q189-K192 WeakPolarHBondContact O-CB 3.43Å; Q189-K192 PolarHBondContact O-N 3.29Å; Q189-K192 VanDerWaalsContact O-N 3.15Å; Q190-K192 VanDerWaalsContact C-N 3.32Å; Q190-K192 PolarHBondContact O-N 3.25Å; K192-A195 WeakPolarHBondContact O-CB 3.46Å; K192-A195 PolarHBondContact O-N 2.91Å; K192-D196 WeakPolarHBondContact O-CB 3.5Å; K192-D196 PolarHBondContact O-N 2.78Å; K192-D337 IonicContact NZ-OD2 2.74Å; K192-L338 HydrophobicContact CG-CD1 4.39Å
193	D	88.5	Confident	89	Confident	64 Å²	64	44 Å²	44	34%	0.342	23%	0.229	S	C	.	.	H	α-helix	trans	-65.2	-39.1	176.5	-65.2	-18	0	0	0	112.2	Q189 Q190 V191 D196 A197 L209	Q189-D193 PolarHBondContact NE2-OD1 3.21Å; Q189-D193 VanDerWaalsContact O-CG 3.27Å; Q189-D193 PolarHBondContact O-N 3.44Å; Q190-D193 PolarHBondContact O-N 3.29Å; V191-D193 VanDerWaalsContact C-N 3.34Å; V191-D193 PolarHBondContact O-N 2.77Å; D193-D196 WeakPolarHBondContact O-CB 3.43Å; D193-D196 PolarHBondContact O-N 3.31Å; D193-A197 PolarHBondContact O-N 2.89Å; D193-A197 VanDerWaalsContact O-N 3.08Å; D193-L209 HydrophobicContact CB-CD1 4.33Å
194	I	92.1	Very high	88.3	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.3	-45.1	173.6	-62.3	161.9	0	0	0	110.2	Q190 V191 D196 A197 I198 A206 L209 M213 V346 V350	Q190-I194 WeakPolarHBondContact O-CG1 3.37Å; Q190-I194 PolarHBondContact O-N 3.38Å; V191-I194 PolarHBondContact O-N 3Å; I194-D196 VanDerWaalsContact C-N 3.26Å; I194-D196 PolarHBondContact O-N 3.3Å; I194-A197 PolarHBondContact O-N 3.08Å; I194-A197 VanDerWaalsContact O-N 3.17Å; I194-I198 HydrophobicContact CG2-CD1 3.92Å; I194-I198 HydrophobicContact CG2-CG1 4.44Å; I194-I198 WeakPolarHBondContact O-CG1 3.23Å; I194-I198 PolarHBondContact O-N 3.49Å; I194-A206 HydrophobicContact CG2-CB 4.46Å; I194-L209 HydrophobicContact CG1-CB 3.63Å; I194-M213 HydrophobicContact CD1-CB 4.44Å; I194-M213 HydrophobicContact CD1-SD 4.08Å; I194-V346 HydrophobicContact CB-CG1 4.13Å; I194-V346 HydrophobicContact CG2-CB 4.49Å; I194-V346 HydrophobicContact CG2-CG1 3.89Å; I194-V346 HydrophobicContact CG2-CG2 4.24Å; I194-V350 HydrophobicContact CD1-CG2 4.05Å
195	A	90.4	Very high	87.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57	-42	176.4	0	0	0	0	0	111.6	V191 K192 I198 A199 L338 T342 V346	V191-A195 WeakPolarHBondContact O-CB 3.44Å; V191-A195 PolarHBondContact O-N 3.44Å; K192-A195 WeakPolarHBondContact O-CB 3.46Å; K192-A195 PolarHBondContact O-N 2.91Å; A195-I198 PolarHBondContact O-N 3.16Å; A195-A199 WeakPolarHBondContact O-CB 3.26Å; A195-A199 PolarHBondContact O-N 3.28Å; A195-L338 HydrophobicContact CB-CD1 4.11Å; A195-T342 HydrophobicContact CB-CG2 3.85Å; A195-V346 HydrophobicContact CB-CG2 3.75Å
196	D	84.9	Confident	87.7	Confident	26 Å²	26	43.3 Å²	43.3	14%	0.139	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-43.7	176.5	-85.2	-0.2	0	0	0	112.4	K192 D193 I194 A199 N200 R634	K192-D196 WeakPolarHBondContact O-CB 3.5Å; K192-D196 PolarHBondContact O-N 2.78Å; D193-D196 WeakPolarHBondContact O-CB 3.43Å; D193-D196 PolarHBondContact O-N 3.31Å; I194-D196 VanDerWaalsContact C-N 3.26Å; I194-D196 PolarHBondContact O-N 3.3Å; D196-A199 PolarHBondContact O-N 3.43Å; D196-N200 WeakPolarHBondContact O-CB 3.46Å; D196-N200 VanDerWaalsContact O-CG 3.31Å; D196-N200 PolarHBondContact O-N 3.14Å; D196-N200 VanDerWaalsContact O-N 3.1Å; D196-N200 PolarHBondContact O-ND2 3Å; D196-N200 VanDerWaalsContact O-ND2 3.1Å; D196-R634 IonicContact OD1-CZ 3.04Å; D196-R634 VanDerWaalsContact OD1-CZ 3.25Å; D196-R634 IonicContact OD1-NE 3.5Å; D196-R634 IonicContact OD1-NH1 3.91Å; D196-R634 IonicContact OD1-NH2 2.64Å; D196-R634 PolarHBondContact OD1-NH2 2.96Å; D196-R634 IonicContact OD2-NH2 3.92Å; D196-R634 PolarHBondContact OD2-NH2 3.18Å
197	A	84.9	Confident	87.6	Confident	2 Å²	2	37.8 Å²	37.8	2%	0.017	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-42.3	176.1	0	0	0	0	0	111.7	D193 I194 N200 N201 Q202 N205 A206 L209	D193-A197 PolarHBondContact O-N 2.89Å; D193-A197 VanDerWaalsContact O-N 3.08Å; I194-A197 PolarHBondContact O-N 3.08Å; I194-A197 VanDerWaalsContact O-N 3.17Å; A197-N200 PolarHBondContact O-N 2.82Å; A197-N201 PolarHBondContact O-N 3.06Å; A197-Q202 HydrophobicContact CB-CB 4.39Å; A197-Q202 WeakPolarHBondContact O-CA 2.9Å; A197-Q202 WeakPolarHBondContact O-CB 3.47Å; A197-Q202 PolarHBondContact O-N 2.92Å; A197-N205 HydrophobicContact CB-CB 4.26Å; A197-A206 HydrophobicContact CB-CB 3.95Å; A197-L209 HydrophobicContact CB-CD1 4.17Å
198	I	86.9	Confident	87.3	Confident	34 Å²	34	40.5 Å²	40.5	17%	0.174	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-46.1	176.7	-68.2	172.2	0	0	0	110.9	I194 A195 N200 N201 A206 K345 V346	I194-I198 HydrophobicContact CG2-CD1 3.92Å; I194-I198 HydrophobicContact CG2-CG1 4.44Å; I194-I198 WeakPolarHBondContact O-CG1 3.23Å; I194-I198 PolarHBondContact O-N 3.49Å; A195-I198 PolarHBondContact O-N 3.16Å; I198-N200 VanDerWaalsContact C-N 3.25Å; I198-N200 PolarHBondContact O-N 2.85Å; I198-N201 PolarHBondContact O-N 2.8Å; I198-A206 HydrophobicContact CG1-CB 3.69Å; I198-K345 HydrophobicContact CD1-CB 4.18Å; I198-K345 HydrophobicContact CG2-CB 4.18Å; I198-K345 HydrophobicContact CG2-CD 3.94Å; I198-V346 HydrophobicContact CD1-CB 4.46Å; I198-V346 HydrophobicContact CD1-CG2 3.84Å
199	A	81.1	Confident	87.2	Confident	19 Å²	19	40.4 Å²	40.4	16%	0.157	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-37.3	179.5	0	0	0	0	0	111.8	A195 D196 N201 V622 W641	A195-A199 WeakPolarHBondContact O-CB 3.26Å; A195-A199 PolarHBondContact O-N 3.28Å; D196-A199 PolarHBondContact O-N 3.43Å; A199-N201 PolarHBondContact O-N 3.13Å; A199-V622 HydrophobicContact CB-CG2 4.26Å; A199-V622 VanDerWaalsContact O-CG2 3.26Å; A199-V622 WeakPolarHBondContact O-CG2 3.48Å; A199-W641 HydrophobicContact CB-CH2 4.47Å; A199-W641 HydrophobicContact CB-CZ2 3.95Å
200	N	76.3	Confident	87.4	Confident	25 Å²	25	35.6 Å²	35.6	13%	0.134	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	12.5	178	-67.3	-31.3	0	0	0	114	D196 A197 I198 Q202 T619 R634	D196-N200 WeakPolarHBondContact O-CB 3.46Å; D196-N200 VanDerWaalsContact O-CG 3.31Å; D196-N200 PolarHBondContact O-N 3.14Å; D196-N200 VanDerWaalsContact O-N 3.1Å; D196-N200 PolarHBondContact O-ND2 3Å; D196-N200 VanDerWaalsContact O-ND2 3.1Å; A197-N200 PolarHBondContact O-N 2.82Å; I198-N200 VanDerWaalsContact C-N 3.25Å; I198-N200 PolarHBondContact O-N 2.85Å; N200-Q202 HydrophobicContact CB-CG 3.95Å; N200-Q202 PolarHBondContact O-N 2.96Å; N200-T619 PolarHBondContact OD1-O 3.44Å; N200-R634 PolarHBondContact ND2-NH1 3.16Å; N200-R634 PolarHBondContact OD1-NH1 2.76Å; N200-R634 VanDerWaalsContact OD1-NH1 3.09Å
201	N	79.7	Confident	87.4	Confident	137 Å²	137	34.9 Å²	34.9	73%	0.733	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	31.8	-176.8	-159.9	29.7	0	0	0	113.8	A197 I198 A199 T203	A197-N201 PolarHBondContact O-N 3.06Å; I198-N201 PolarHBondContact O-N 2.8Å; A199-N201 PolarHBondContact O-N 3.13Å; N201-T203 PolarHBondContact O-N 3.17Å
202	Q	78.9	Confident	87.4	Confident	48 Å²	48	39 Å²	39	22%	0.224	20%	0.197	C	C	.	.			trans	-96.4	63.5	179.7	-60.5	179.6	-13.6	0	0	110.8	A197 N200 R204 N205 A206	A197-Q202 HydrophobicContact CB-CB 4.39Å; A197-Q202 WeakPolarHBondContact O-CA 2.9Å; A197-Q202 WeakPolarHBondContact O-CB 3.47Å; A197-Q202 PolarHBondContact O-N 2.92Å; N200-Q202 HydrophobicContact CB-CG 3.95Å; N200-Q202 PolarHBondContact O-N 2.96Å; Q202-R204 VanDerWaalsContact C-N 3.33Å; Q202-R204 PolarHBondContact O-N 3.29Å; Q202-N205 HydrophobicContact CB-CB 3.9Å; Q202-N205 WeakPolarHBondContact O-CB 3.44Å; Q202-N205 PolarHBondContact O-N 3.31Å; Q202-N205 PolarHBondContact OE1-ND2 3.36Å; Q202-A206 PolarHBondContact O-N 2.95Å
203	T	85	Confident	87.6	Confident	91 Å²	91	36.2 Å²	36.2	56%	0.558	19%	0.185	S	C	*	.	H	α-helix	trans	-54.2	-44.1	-172.7	-43.7	0	0	0	0	113.3	N201 N205 A206 D207	N201-T203 PolarHBondContact O-N 3.17Å; T203-N205 VanDerWaalsContact C-N 3.3Å; T203-N205 PolarHBondContact O-N 3.09Å; T203-A206 PolarHBondContact O-N 2.93Å; T203-D207 PolarHBondContact O-N 3.15Å
204	R	81.1	Confident	88.1	Confident	72 Å²	72	33.3 Å²	33.3	27%	0.272	17%	0.169	S	C	.	.	H	α-helix	trans	-64.7	-33.2	178.9	-169.6	173.5	-175.6	174.9	18.3	112.9	Q202 Y208 D582 P612	Q202-R204 VanDerWaalsContact C-N 3.33Å; Q202-R204 PolarHBondContact O-N 3.29Å; R204-Y208 WeakPolarHBondContact O-CB 3.29Å; R204-Y208 PolarHBondContact O-N 3.45Å; R204-Y208 VanDerWaalsContact O-N 3.14Å; R204-D582 IonicContact CZ-OD1 3.4Å; R204-D582 IonicContact NH2-OD1 3.48Å; R204-D582 PolarHBondContact NH2-OD1 3.42Å; R204-D582 IonicContact NH2-OD2 2.7Å; R204-D582 PolarHBondContact NH2-OD2 2.73Å; R204-P612 HydrophobicContact CB-CB 4.44Å; R204-P612 HydrophobicContact CG-CB 4.24Å; R204-P612 HydrophobicContact CG-CG 4.44Å
205	N	83.8	Confident	88.3	Confident	32 Å²	32	36 Å²	36	17%	0.171	18%	0.183	C	C	.	.	H	α-helix	trans	-73.2	-41.2	176.2	-169.4	28.3	0	0	0	110.6	A197 Q202 T203 D207 Y208 L209 P612	A197-N205 HydrophobicContact CB-CB 4.26Å; Q202-N205 HydrophobicContact CB-CB 3.9Å; Q202-N205 WeakPolarHBondContact O-CB 3.44Å; Q202-N205 PolarHBondContact O-N 3.31Å; Q202-N205 PolarHBondContact OE1-ND2 3.36Å; T203-N205 VanDerWaalsContact C-N 3.3Å; T203-N205 PolarHBondContact O-N 3.09Å; N205-D207 VanDerWaalsContact C-N 3.35Å; N205-D207 PolarHBondContact O-N 2.97Å; N205-Y208 PolarHBondContact O-N 3.04Å; N205-L209 WeakPolarHBondContact O-CB 3.39Å; N205-L209 VanDerWaalsContact O-CG 3.28Å; N205-L209 WeakPolarHBondContact O-CG 3.04Å; N205-L209 PolarHBondContact O-N 2.94Å; N205-P612 HydrophobicContact CB-CG 3.84Å
206	A	90.4	Very high	88.6	Confident	2 Å²	2	39.1 Å²	39.1	2%	0.017	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-43.3	175.3	0	0	0	0	0	112	I194 A197 I198 Q202 T203 L209 S210	I194-A206 HydrophobicContact CG2-CB 4.46Å; A197-A206 HydrophobicContact CB-CB 3.95Å; I198-A206 HydrophobicContact CG1-CB 3.69Å; Q202-A206 PolarHBondContact O-N 2.95Å; T203-A206 PolarHBondContact O-N 2.93Å; A206-L209 PolarHBondContact O-N 3.38Å; A206-S210 VanDerWaalsContact O-CB 3.31Å; A206-S210 WeakPolarHBondContact O-CB 3.28Å; A206-S210 PolarHBondContact O-N 3.27Å; A206-S210 PolarHBondContact O-OG 2.8Å
207	D	90.9	Very high	89.3	Confident	35 Å²	35	38.9 Å²	38.9	19%	0.187	20%	0.197	C	C	.	.	H	α-helix	trans	-60.7	-48.6	174.6	-82.4	17.1	0	0	0	111.4	T203 N205 L209 S210 E211 R356	T203-D207 PolarHBondContact O-N 3.15Å; N205-D207 VanDerWaalsContact C-N 3.35Å; N205-D207 PolarHBondContact O-N 2.97Å; D207-L209 PolarHBondContact O-N 3.01Å; D207-S210 PolarHBondContact O-N 2.76Å; D207-E211 WeakPolarHBondContact O-CG 3.39Å; D207-E211 PolarHBondContact O-N 2.79Å; D207-R356 IonicContact OD2-NH1 2.81Å; D207-R356 IonicContact OD2-NH2 3.8Å; D207-R356 PolarHBondContact OD2-NH2 3.28Å
208	Y	89.2	Confident	89.9	Confident	58 Å²	58	38.8 Å²	38.8	23%	0.227	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-46.3	177.9	172.6	-97.4	0	0	0	112.5	R204 N205 S210 E211 K212 P607 T609	R204-Y208 WeakPolarHBondContact O-CB 3.29Å; R204-Y208 PolarHBondContact O-N 3.45Å; R204-Y208 VanDerWaalsContact O-N 3.14Å; N205-Y208 PolarHBondContact O-N 3.04Å; Y208-S210 VanDerWaalsContact C-N 3.32Å; Y208-S210 PolarHBondContact O-N 3.12Å; Y208-E211 PolarHBondContact O-N 2.94Å; Y208-K212 PolarHBondContact O-N 2.79Å; Y208-P607 HydrophobicContact CD2-CB 3.86Å; Y208-P607 HydrophobicContact CD2-CG 4.13Å; Y208-P607 HydrophobicContact CE2-CB 3.87Å; Y208-P607 HydrophobicContact CE2-CG 3.59Å; Y208-T609 WeakPolarHBondContact CD2-O 3.28Å
209	L	92.3	Very high	90.4	Very high	27 Å²	27	37.1 Å²	37.1	14%	0.141	19%	0.188	C	C	.	.	H	α-helix	trans	-66.1	-35.2	178.5	-70.1	171.8	0	0	0	112	D193 I194 A197 N205 A206 D207 K212 M213	D193-L209 HydrophobicContact CB-CD1 4.33Å; I194-L209 HydrophobicContact CG1-CB 3.63Å; A197-L209 HydrophobicContact CB-CD1 4.17Å; N205-L209 WeakPolarHBondContact O-CB 3.39Å; N205-L209 VanDerWaalsContact O-CG 3.28Å; N205-L209 WeakPolarHBondContact O-CG 3.04Å; N205-L209 PolarHBondContact O-N 2.94Å; A206-L209 PolarHBondContact O-N 3.38Å; D207-L209 PolarHBondContact O-N 3.01Å; L209-K212 PolarHBondContact O-N 3.5Å; L209-M213 PolarHBondContact O-N 3.31Å
210	S	96.6	Very high	91.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.2	-42.5	176	-58.5	0	0	0	0	111.5	A206 D207 Y208 K212 M213 V214 T349	A206-S210 VanDerWaalsContact O-CB 3.31Å; A206-S210 WeakPolarHBondContact O-CB 3.28Å; A206-S210 PolarHBondContact O-N 3.27Å; A206-S210 PolarHBondContact O-OG 2.8Å; D207-S210 PolarHBondContact O-N 2.76Å; Y208-S210 VanDerWaalsContact C-N 3.32Å; Y208-S210 PolarHBondContact O-N 3.12Å; S210-K212 VanDerWaalsContact C-N 3.29Å; S210-K212 PolarHBondContact O-N 3.33Å; S210-M213 WeakPolarHBondContact O-CB 3.26Å; S210-M213 PolarHBondContact O-N 2.79Å; S210-M213 VanDerWaalsContact O-N 3.14Å; S210-V214 PolarHBondContact O-N 2.92Å; S210-V214 VanDerWaalsContact O-N 3.12Å; S210-T349 VanDerWaalsContact OG-CG2 3.26Å; S210-T349 WeakPolarHBondContact OG-CG2 3.49Å
211	E	95.7	Very high	92.2	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-39.4	172.2	-74.4	178.5	171.9	0	0	111.7	D207 Y208 M213 V214 L215 A353 R356 P606 P607 F608 T609	D207-E211 WeakPolarHBondContact O-CG 3.39Å; D207-E211 PolarHBondContact O-N 2.79Å; Y208-E211 PolarHBondContact O-N 2.94Å; E211-M213 VanDerWaalsContact C-N 3.33Å; E211-M213 PolarHBondContact O-N 3.01Å; E211-V214 PolarHBondContact O-N 3.36Å; E211-L215 PolarHBondContact O-N 3.02Å; E211-L215 VanDerWaalsContact O-N 3.07Å; E211-A353 HydrophobicContact CG-CB 4.13Å; E211-R356 VanDerWaalsContact OE1-CD 3.24Å; E211-R356 WeakPolarHBondContact OE1-CD 3.38Å; E211-R356 IonicContact OE1-CZ 4Å; E211-R356 IonicContact OE1-NE 2.73Å; E211-R356 IonicContact OE1-NH1 3.91Å; E211-R356 PolarHBondContact OE1-NH1 3.39Å; E211-P606 HydrophobicContact CB-CB 3.92Å; E211-P606 WeakPolarHBondContact O-CB 3.18Å; E211-P607 HydrophobicContact CB-CB 3.91Å; E211-P607 WeakPolarHBondContact OE2-CA 3.29Å; E211-P607 WeakPolarHBondContact OE2-CB 3.03Å; E211-F608 HydrophobicContact CG-CD2 4.46Å; E211-F608 PolarHBondContact OE2-N 3.35Å; E211-T609 PolarHBondContact OE2-N 3.23Å; E211-T609 PolarHBondContact OE2-OG1 3.03Å
212	K	95.3	Very high	93	Very high	87 Å²	87	28.6 Å²	28.6	38%	0.378	14%	0.14	S	C	.	.	H	α-helix	trans	-64.2	-37.1	173.6	-170.9	-176	174.5	-165	0	112.3	Y208 L209 S210 V214 L215 D216	Y208-K212 PolarHBondContact O-N 2.79Å; L209-K212 PolarHBondContact O-N 3.5Å; S210-K212 VanDerWaalsContact C-N 3.29Å; S210-K212 PolarHBondContact O-N 3.33Å; K212-V214 VanDerWaalsContact C-N 3.3Å; K212-V214 PolarHBondContact O-N 3.48Å; K212-L215 WeakPolarHBondContact O-CB 3.45Å; K212-L215 PolarHBondContact O-N 3.19Å; K212-L215 VanDerWaalsContact O-N 3.16Å; K212-D216 WeakPolarHBondContact CE-OD2 3.33Å; K212-D216 PolarHBondContact O-N 3.15Å
213	M	96.5	Very high	93.9	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-40.6	174.7	-175.5	175.4	-122.6	0	0	111.5	F187 Q190 V191 I194 L209 S210 E211 L215 D216 Y217 I330 V350	F187-M213 HydrophobicContact CD2-CE 3.55Å; F187-M213 HydrophobicContact CE1-CE 4.38Å; F187-M213 HydrophobicContact CE2-CE 3.17Å; F187-M213 HydrophobicContact CE2-SD 4.11Å; F187-M213 HydrophobicContact CG-CE 4.28Å; F187-M213 HydrophobicContact CZ-CE 3.66Å; Q190-M213 HydrophobicContact CB-CE 4.16Å; Q190-M213 HydrophobicContact CG-CB 4.35Å; Q190-M213 HydrophobicContact CG-CE 4.32Å; V191-M213 HydrophobicContact CG2-CE 3.36Å; V191-M213 HydrophobicContact CG2-SD 4.45Å; I194-M213 HydrophobicContact CD1-CB 4.44Å; I194-M213 HydrophobicContact CD1-SD 4.08Å; L209-M213 PolarHBondContact O-N 3.31Å; S210-M213 WeakPolarHBondContact O-CB 3.26Å; S210-M213 PolarHBondContact O-N 2.79Å; S210-M213 VanDerWaalsContact O-N 3.14Å; E211-M213 VanDerWaalsContact C-N 3.33Å; E211-M213 PolarHBondContact O-N 3.01Å; M213-L215 VanDerWaalsContact C-N 3.32Å; M213-L215 PolarHBondContact O-N 3.35Å; M213-D216 PolarHBondContact O-N 3.48Å; M213-Y217 HydrophobicContact CG-CD2 4.14Å; M213-Y217 PolarHBondContact O-N 3.13Å; M213-I330 HydrophobicContact SD-CD1 4.39Å; M213-V350 HydrophobicContact SD-CG1 4.28Å; M213-V350 HydrophobicContact SD-CG2 3.86Å
214	V	97.8	Very high	94.5	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-64.2	-36.6	174.3	179.6	0	0	0	0	111.7	S210 E211 K212 G218 T219 A353 I354 Y357 P606	S210-V214 PolarHBondContact O-N 2.92Å; S210-V214 VanDerWaalsContact O-N 3.12Å; E211-V214 PolarHBondContact O-N 3.36Å; K212-V214 VanDerWaalsContact C-N 3.3Å; K212-V214 PolarHBondContact O-N 3.48Å; V214-G218 WeakPolarHBondContact CA-O 3.48Å; V214-G218 WeakPolarHBondContact O-CA 3.48Å; V214-G218 PolarHBondContact O-N 2.98Å; V214-T219 HydrophobicContact CG1-CG2 4.14Å; V214-A353 HydrophobicContact CG2-CB 4.04Å; V214-I354 HydrophobicContact CG1-CG1 4.43Å; V214-I354 HydrophobicContact CG2-CG1 3.54Å; V214-Y357 HydrophobicContact CG1-CD1 3.97Å; V214-Y357 HydrophobicContact CG1-CG 4.31Å; V214-P606 HydrophobicContact CB-CG 4.27Å; V214-P606 HydrophobicContact CG1-CG 4.19Å
215	L	97.1	Very high	95.3	Very high	57 Å²	57	20.8 Å²	20.8	30%	0.298	10%	0.103	S	C	.	.	H	α-helix	trans	-64.3	-45.8	174.5	-177.6	65.7	0	0	0	112.2	E211 K212 M213 L605 P606	E211-L215 PolarHBondContact O-N 3.02Å; E211-L215 VanDerWaalsContact O-N 3.07Å; K212-L215 WeakPolarHBondContact O-CB 3.45Å; K212-L215 PolarHBondContact O-N 3.19Å; K212-L215 VanDerWaalsContact O-N 3.16Å; M213-L215 VanDerWaalsContact C-N 3.32Å; M213-L215 PolarHBondContact O-N 3.35Å; L215-L605 HydrophobicContact CD1-CB 4.08Å; L215-L605 HydrophobicContact CD1-CD1 4.35Å; L215-P606 HydrophobicContact CB-CG 4.12Å
216	D	96.9	Very high	95.9	Very high	65 Å²	65	20.7 Å²	20.7	35%	0.348	10%	0.103	S	C	.	.	H	α-helix	trans	-79.8	-35.2	-170.8	-68.2	-23.9	0	0	0	112.5	G76 K212 M213	G76-D216 WeakPolarHBondContact CA-O 3.39Å; G76-D216 PolarHBondContact N-O 3.11Å; K212-D216 WeakPolarHBondContact CE-OD2 3.33Å; K212-D216 PolarHBondContact O-N 3.15Å; M213-D216 PolarHBondContact O-N 3.48Å
217	Y	98.1	Very high	96.2	Very high	21 Å²	21	20.6 Å²	20.6	8%	0.082	10%	0.102	C	C	.	.	H	α-helix	trans	-120.6	-3.3	-174	-61	-85.1	0	0	0	113.9	G66 W67 M75 R77 V78 F187 M213 I326	G66-Y217 CarbonylContact C-O 3.54Å; G66-Y217 WeakPolarHBondContact CA-O 3.34Å; W67-Y217 PolarHBondContact N-O 3.37Å; M75-Y217 VanDerWaalsContact CB-C 3.44Å; R77-Y217 VanDerWaalsContact O-CE1 3.23Å; R77-Y217 WeakPolarHBondContact O-CE1 3.48Å; V78-Y217 HydrophobicContact CG2-CD1 3.72Å; V78-Y217 HydrophobicContact CG2-CG 4.3Å; F187-Y217 HydrophobicContact CB-CE1 4.09Å; F187-Y217 AromaticContact CD2-CD1 3.97Å; F187-Y217 HydrophobicContact CD2-CD1 3.97Å; F187-Y217 HydrophobicContact CD2-CD2 4.08Å; F187-Y217 HydrophobicContact CD2-CE1 4.09Å; F187-Y217 HydrophobicContact CD2-CE2 4.22Å; F187-Y217 AromaticContact CD2-CG 3.96Å; F187-Y217 HydrophobicContact CD2-CG 3.96Å; F187-Y217 HydrophobicContact CE2-CG 4.46Å; F187-Y217 PolarHBondContact N-OH 3.34Å; M213-Y217 HydrophobicContact CG-CD2 4.14Å; M213-Y217 PolarHBondContact O-N 3.13Å; Y217-I326 HydrophobicContact CG-CD1 4.46Å
218	G	97.6	Very high	96.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	77.1	-154.3	-178.8	0	0	0	0	0	113.5	V214	V214-G218 WeakPolarHBondContact CA-O 3.48Å; V214-G218 WeakPolarHBondContact O-CA 3.48Å; V214-G218 PolarHBondContact O-N 2.98Å
219	T	97.7	Very high	96.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-107.1	-28.1	-170.1	55.6	0	0	0	0	112.7	W67 N69 V214 P325 I326 I354 Y357 Y358	W67-T219 PolarHBondContact O-N 3.15Å; W67-T219 PolarHBondContact O-OG1 3.3Å; N69-T219 PolarHBondContact N-OG1 3.38Å; V214-T219 HydrophobicContact CG1-CG2 4.14Å; T219-P325 WeakPolarHBondContact O-CA 3.28Å; T219-I326 PolarHBondContact O-N 2.76Å; T219-I354 HydrophobicContact CG2-CG2 3.81Å; T219-Y357 HydrophobicContact CG2-CD1 3.64Å; T219-Y357 HydrophobicContact CG2-CE1 3.86Å; T219-Y358 HydrophobicContact CG2-CE2 4.04Å
220	H	97.8	Very high	96.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	163.7	-175.2	-66.8	72.5	0	0	0	110.1	G66 W67 I131 D134 F324	G66-H220 CarbonylContact C-O 3.55Å; G66-H220 WeakPolarHBondContact CA-O 3.31Å; W67-H220 HydrophobicContact CB-CB 4.27Å; W67-H220 PolarHBondContact N-O 3.18Å; W67-H220 PolarHBondContact O-N 3.18Å; I131-H220 HydrophobicContact CD1-CB 4.08Å; D134-H220 IonicContact OD2-NE2 2.7Å; H220-F324 CarbonylContact C-O 3.55Å; H220-F324 VanDerWaalsContact CA-O 3.24Å; H220-F324 WeakPolarHBondContact CA-O 3.33Å
221	V	97.5	Very high	96.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.7	168.2	-174.4	0	0	0	0	107.8	V78 F181 T223 G323 F324 I326 F329	V78-V221 HydrophobicContact CB-CG1 4.03Å; V78-V221 HydrophobicContact CB-CG2 4.11Å; V78-V221 HydrophobicContact CG1-CG1 4.27Å; V78-V221 HydrophobicContact CG1-CG2 3.95Å; V78-V221 HydrophobicContact CG2-CG2 3.96Å; F181-V221 HydrophobicContact CZ-CG1 4.5Å; V221-T223 PolarHBondContact O-N 3.06Å; V221-G323 CarbonylContact O-C 3.5Å; V221-G323 WeakPolarHBondContact O-CA 3.43Å; V221-F324 PolarHBondContact N-O 2.99Å; V221-F324 PolarHBondContact O-N 2.91Å; V221-F324 VanDerWaalsContact O-N 3.07Å; V221-I326 HydrophobicContact CG2-CB 4.26Å; V221-I326 HydrophobicContact CG2-CG1 3.76Å; V221-F329 HydrophobicContact CB-CD2 3.89Å; V221-F329 HydrophobicContact CB-CE2 3.44Å; V221-F329 VanDerWaalsContact CB-CE2 3.44Å; V221-F329 HydrophobicContact CB-CZ 3.91Å; V221-F329 HydrophobicContact CG1-CE2 4.25Å; V221-F329 HydrophobicContact CG1-CZ 4.31Å; V221-F329 HydrophobicContact CG2-CD2 3.51Å; V221-F329 HydrophobicContact CG2-CE2 3.6Å; V221-F329 HydrophobicContact CG2-CG 4.33Å; V221-F329 HydrophobicContact CG2-CZ 4.45Å
222	I	97.9	Very high	96.4	Very high	2 Å²	2	15 Å²	15	1%	0.01	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	119.8	178	-58.9	167.1	0	0	0	108.1	G64 G65 W67 D74 I131 I225 R321	G64-I222 WeakPolarHBondContact CA-O 3.46Å; G64-I222 PolarHBondContact N-O 3.05Å; G65-I222 PolarHBondContact O-N 3.39Å; W67-I222 HydrophobicContact CB-CD1 4.13Å; W67-I222 HydrophobicContact CB-CG1 3.88Å; W67-I222 HydrophobicContact CD2-CD1 4.32Å; W67-I222 HydrophobicContact CE3-CD1 3.88Å; W67-I222 HydrophobicContact CG-CD1 4.48Å; W67-I222 HydrophobicContact CG-CG1 4.38Å; D74-I222 VanDerWaalsContact OD1-CD1 3.29Å; D74-I222 WeakPolarHBondContact OD1-CD1 3.34Å; I131-I222 HydrophobicContact CD1-CG1 4.22Å; I222-I225 HydrophobicContact CG2-CD1 3.76Å; I222-I225 HydrophobicContact CG2-CG1 3.33Å; I222-R321 HydrophobicContact CD1-CG 4.33Å; I222-R321 HydrophobicContact CG2-CB 4.38Å
223	T	97	Very high	96.3	Very high	25 Å²	25	11 Å²	11	15%	0.153	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-20.3	178.8	53.5	0	0	0	0	112.6	K176 A177 V221 S322 F324 F329	K176-T223 WeakPolarHBondContact CA-O 3.35Å; A177-T223 PolarHBondContact N-O 3.27Å; V221-T223 PolarHBondContact O-N 3.06Å; T223-S322 PolarHBondContact N-O 2.71Å; T223-F324 HydrophobicContact CG2-CD2 3.92Å; T223-F324 HydrophobicContact CG2-CE2 4.38Å; T223-F329 HydrophobicContact CG2-CE1 4.07Å; T223-F329 HydrophobicContact CG2-CZ 3.58Å
224	S	97.8	Very high	96.2	Very high	14 Å²	14	11.1 Å²	11.1	10%	0.098	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	137.7	178.4	-175.6	0	0	0	0	110.1	T174 V175 K176 S322	T174-S224 WeakPolarHBondContact CG2-OG 3.43Å; V175-S224 CarbonylContact O-C 3.42Å; V175-S224 VanDerWaalsContact O-CA 3.32Å; V175-S224 WeakPolarHBondContact O-CA 3.16Å; K176-S224 WeakPolarHBondContact CE-OG 2.91Å; K176-S224 WeakPolarHBondContact CG-OG 3.31Å; S224-S322 PolarHBondContact N-O 2.96Å; S224-S322 VanDerWaalsContact N-O 3.12Å; S224-S322 PolarHBondContact O-N 3.17Å
225	I	97.8	Very high	96.1	Very high	7 Å²	7	11.1 Å²	11.1	4%	0.036	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.2	176.1	-57.1	-176.6	0	0	0	109.6	V61 L62 P63 T174 V175 I222 A318 D320	V61-I225 HydrophobicContact CG1-CB 4.08Å; V61-I225 HydrophobicContact CG1-CD1 4.39Å; V61-I225 HydrophobicContact CG1-CG2 3.28Å; L62-I225 VanDerWaalsContact C-CD1 3.42Å; L62-I225 WeakPolarHBondContact O-CD1 3.25Å; P63-I225 HydrophobicContact CB-CG1 4.37Å; T174-I225 WeakPolarHBondContact CA-O 3.41Å; V175-I225 PolarHBondContact N-O 3.21Å; V175-I225 PolarHBondContact O-N 2.89Å; I222-I225 HydrophobicContact CG2-CD1 3.76Å; I222-I225 HydrophobicContact CG2-CG1 3.33Å; I225-A318 HydrophobicContact CG2-CB 3.44Å; I225-A318 VanDerWaalsContact CG2-CB 3.44Å; I225-D320 WeakPolarHBondContact CG2-O 3.35Å
226	D	97	Very high	96.1	Very high	30 Å²	30	8.4 Å²	8.4	16%	0.16	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	113.2	167.8	-69.1	-18.2	0	0	0	108.8	F171 T174 I319 D320	F171-D226 HydrophobicContact CD2-CB 3.89Å; F171-D226 HydrophobicContact CE2-CB 3.35Å; F171-D226 VanDerWaalsContact CE2-OD1 3.29Å; F171-D226 WeakPolarHBondContact CE2-OD1 3.45Å; F171-D226 HydrophobicContact CZ-CB 4Å; F171-D226 VanDerWaalsContact CZ-OD1 3.24Å; F171-D226 WeakPolarHBondContact CZ-OD1 3.32Å; T174-D226 PolarHBondContact OG1-OD1 3.06Å; D226-I319 HydrophobicContact CB-CG1 4.12Å; D226-I319 WeakPolarHBondContact O-CG1 3.38Å; D226-I319 PolarHBondContact O-N 3.22Å; D226-D320 HydrophobicContact CB-CB 3.98Å; D226-D320 PolarHBondContact N-O 2.98Å; D226-D320 PolarHBondContact O-N 3.3Å
227	A	96.4	Very high	96	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.4	-178.9	0	0	0	0	0	110.6	V61 I172 Y173 V175 V317	V61-A227 HydrophobicContact CB-CB 3.88Å; V61-A227 HydrophobicContact CG1-CB 3.76Å; V61-A227 HydrophobicContact CG2-CB 4.13Å; I172-A227 PolarHBondContact N-O 3.2Å; Y173-A227 PolarHBondContact N-O 3.27Å; Y173-A227 VanDerWaalsContact N-O 3.14Å; Y173-A227 PolarHBondContact O-N 2.87Å; V175-A227 HydrophobicContact CG2-CB 4.14Å; A227-V317 WeakPolarHBondContact CA-O 3.31Å
228	G	95	Very high	95.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.6	-155.3	-173.9	0	0	0	0	0	113.5	N170 V317	N170-G228 CarbonylContact O-C 3.46Å; N170-G228 WeakPolarHBondContact O-CA 3.46Å; G228-V317 PolarHBondContact N-O 3.45Å; G228-V317 PolarHBondContact O-N 3.33Å
229	A	94.6	Very high	95.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	149.8	171.1	0	0	0	0	0	110.3	N170 H294 W308 T312	N170-A229 PolarHBondContact N-O 2.79Å; N170-A229 PolarHBondContact O-N 2.91Å; A229-H294 CarbonylContact C-O 3.49Å; A229-H294 WeakPolarHBondContact CA-O 3.35Å; A229-H294 WeakPolarHBondContact CB-O 3.42Å; A229-W308 HydrophobicContact CB-CH2 3.98Å; A229-W308 HydrophobicContact CB-CZ2 3.86Å; A229-T312 HydrophobicContact CB-CG2 3.67Å
230	S	93	Very high	95.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	136.3	175.6	64.8	0	0	0	0	111.5	V168 H294	V168-S230 CarbonylContact O-C 3.56Å; V168-S230 WeakPolarHBondContact O-CA 3.43Å; S230-H294 PolarHBondContact N-O 3.42Å; S230-H294 PolarHBondContact O-N 3.4Å; S230-H294 WeakPolarHBondContact OG-CB 3.34Å; S230-H294 PolarHBondContact OG-CD2 2.56Å
231	L	92.6	Very high	95	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.8	173.4	-175.1	63.4	0	0	0	108.5	Q167 V168 F260 L264 I291 F299 W308	Q167-L231 CarbonylContact C-O 3.38Å; Q167-L231 WeakPolarHBondContact CA-O 3.35Å; V168-L231 HydrophobicContact CB-CB 4.49Å; V168-L231 PolarHBondContact N-O 3.34Å; V168-L231 PolarHBondContact O-N 3.48Å; L231-F260 HydrophobicContact CD2-CE2 4.2Å; L231-F260 HydrophobicContact CD2-CZ 3.92Å; L231-F260 HydrophobicContact CG-CE2 4.13Å; L231-F260 HydrophobicContact CG-CZ 4.06Å; L231-L264 HydrophobicContact CD2-CD2 3.89Å; L231-I291 HydrophobicContact CD1-CG2 3.77Å; L231-I291 HydrophobicContact CG-CG2 4.45Å; L231-F299 HydrophobicContact CD1-CB 4.12Å; L231-F299 HydrophobicContact CD1-CD2 3.78Å; L231-F299 HydrophobicContact CD1-CG 4.07Å; L231-F299 HydrophobicContact CD2-CD2 4.09Å; L231-F299 HydrophobicContact CD2-CE2 4.36Å; L231-W308 HydrophobicContact CB-CD2 4.45Å; L231-W308 HydrophobicContact CB-CH2 3.85Å; L231-W308 HydrophobicContact CB-CZ2 3.66Å; L231-W308 HydrophobicContact CB-CZ3 4.3Å; L231-W308 HydrophobicContact CD2-CD2 4.47Å
232	V	93	Very high	94.6	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.024	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.1	-171.9	-175.4	0	0	0	0	109.7	T126 R165 V166 Q167 E234 I291 Q292	T126-V232 HydrophobicContact CG2-CG1 4.22Å; T126-V232 HydrophobicContact CG2-CG2 4.21Å; R165-V232 HydrophobicContact CG-CG1 3.66Å; V166-V232 CarbonylContact O-C 3.5Å; V166-V232 WeakPolarHBondContact O-CA 3.41Å; Q167-V232 HydrophobicContact CB-CG2 4.04Å; V232-E234 HydrophobicContact CG1-CG 4.34Å; V232-I291 CarbonylContact O-C 3.48Å; V232-I291 VanDerWaalsContact O-CA 3.32Å; V232-I291 WeakPolarHBondContact O-CA 3.48Å; V232-Q292 PolarHBondContact N-O 3.4Å; V232-Q292 PolarHBondContact O-N 3.04Å
233	Q	93.1	Very high	94	Very high	2 Å²	2	21 Å²	21	1%	0.009	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.1	166.5	178.2	169.9	-34.8	0	0	109.9	R165 V166 D235 N259 F260 L290 I291	R165-Q233 VanDerWaalsContact CA-O 3.29Å; R165-Q233 WeakPolarHBondContact CA-O 3.36Å; V166-Q233 PolarHBondContact N-O 3.17Å; V166-Q233 PolarHBondContact O-N 3.46Å; Q233-D235 VanDerWaalsContact NE2-CG 3.25Å; Q233-D235 PolarHBondContact NE2-OD1 3.09Å; Q233-D235 PolarHBondContact NE2-OD2 2.7Å; Q233-N259 PolarHBondContact NE2-ND2 3.03Å; Q233-N259 VanDerWaalsContact NE2-ND2 3.11Å; Q233-F260 HydrophobicContact CB-CD2 3.58Å; Q233-F260 HydrophobicContact CB-CE2 4.13Å; Q233-F260 HydrophobicContact CB-CG 4.45Å; Q233-F260 HydrophobicContact CG-CD2 4.46Å; Q233-L290 CarbonylContact C-O 3.43Å; Q233-L290 WeakPolarHBondContact CA-O 3.32Å; Q233-I291 HydrophobicContact CB-CG1 4.02Å; Q233-I291 HydrophobicContact CG-CG1 3.92Å
234	E	95.1	Very high	93.2	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.019	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.3	169.8	-64.3	-171.3	155.6	0	0	109.3	R151 T163 A164 R165 V232 Y236 S289 L290	R151-E234 IonicContact CZ-OE2 2.63Å; R151-E234 IonicContact NE-OE2 3.38Å; R151-E234 IonicContact NH2-OE1 3.6Å; R151-E234 IonicContact NH2-OE2 3.45Å; R151-E234 PolarHBondContact NH2-OE2 2.82Å; T163-E234 HydrophobicContact CG2-CB 4.28Å; A164-E234 WeakPolarHBondContact O-CA 3.43Å; R165-E234 HydrophobicContact CB-CG 4.47Å; R165-E234 HydrophobicContact CG-CG 4.15Å; R165-E234 IonicContact CZ-OE1 3.7Å; R165-E234 IonicContact NE-OE1 3.51Å; R165-E234 PolarHBondContact NE-OE1 3.2Å; R165-E234 IonicContact NH2-OE1 3.62Å; R165-E234 PolarHBondContact NH2-OE1 3.19Å; V232-E234 HydrophobicContact CG1-CG 4.34Å; E234-Y236 HydrophobicContact CB-CE2 3.93Å; E234-Y236 PolarHBondContact OE2-OH 3.17Å; E234-Y236 VanDerWaalsContact OE2-OH 3.11Å; E234-S289 WeakPolarHBondContact O-CA 3.4Å; E234-L290 PolarHBondContact N-O 3.35Å; E234-L290 PolarHBondContact O-N 3.34Å
235	D	95.6	Very high	91.9	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.011	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.5	171.4	-68.9	-20.4	0	0	0	109.3	T163 A164 Q233 L237 N259 K263 Y282 I286 S289	T163-D235 CarbonylContact C-O 3.58Å; T163-D235 WeakPolarHBondContact CA-O 3.48Å; A164-D235 PolarHBondContact N-O 3.11Å; A164-D235 PolarHBondContact O-N 3.15Å; Q233-D235 VanDerWaalsContact NE2-CG 3.25Å; Q233-D235 PolarHBondContact NE2-OD1 3.09Å; Q233-D235 PolarHBondContact NE2-OD2 2.7Å; D235-L237 HydrophobicContact CB-CD2 4.5Å; D235-N259 PolarHBondContact OD2-ND2 2.93Å; D235-K263 IonicContact OD1-NZ 2.79Å; D235-Y282 WeakPolarHBondContact CB-OH 3.26Å; D235-Y282 WeakPolarHBondContact OD2-CE1 3.44Å; D235-Y282 PolarHBondContact OD2-OH 3.1Å; D235-I286 HydrophobicContact CB-CG1 4.49Å; D235-S289 VanDerWaalsContact OD1-CB 3.32Å; D235-S289 WeakPolarHBondContact OD1-CB 3.43Å; D235-S289 PolarHBondContact OD1-OG 3.44Å
236	Y	96.8	Very high	90.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	102.9	178.9	-67.5	-104.2	0	0	0	107.5	M152 H155 T163 E234 Q287 Y288	M152-Y236 HydrophobicContact CB-CE1 4.48Å; M152-Y236 HydrophobicContact CG-CE1 4.3Å; H155-Y236 HydrophobicContact CB-CD1 3.32Å; H155-Y236 HydrophobicContact CB-CE1 3.5Å; H155-Y236 HydrophobicContact CB-CG 4.07Å; T163-Y236 HydrophobicContact CG2-CE1 4.27Å; T163-Y236 HydrophobicContact CG2-CE2 4.37Å; T163-Y236 WeakPolarHBondContact OG1-CD1 3.23Å; T163-Y236 VanDerWaalsContact OG1-CE1 3.31Å; T163-Y236 WeakPolarHBondContact OG1-CE1 3.31Å; E234-Y236 HydrophobicContact CB-CE2 3.93Å; E234-Y236 PolarHBondContact OE2-OH 3.17Å; E234-Y236 VanDerWaalsContact OE2-OH 3.11Å; Y236-Q287 PolarHBondContact O-N 3.25Å; Y236-Y288 AromaticContact CD2-CD1 3.46Å; Y236-Y288 HydrophobicContact CD2-CD1 3.46Å; Y236-Y288 VanDerWaalsContact CD2-CD1 3.46Å; Y236-Y288 HydrophobicContact CD2-CE1 4.33Å; Y236-Y288 HydrophobicContact CD2-CG 4.32Å; Y236-Y288 AromaticContact CE2-CD1 3.63Å; Y236-Y288 HydrophobicContact CE2-CD1 3.63Å; Y236-Y288 HydrophobicContact CE2-CE1 4.07Å; Y236-Y288 HydrophobicContact CG-CD1 4.18Å; Y236-Y288 PolarHBondContact N-O 3.46Å
237	L	95.6	Very high	88.3	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	145.4	-174.1	-57.4	172.2	0	0	0	109.9	S161 T162 A164 D235 S239 Y241 V242 I252 Y282 N285 I286	S161-L237 CarbonylContact C-O 3.58Å; S161-L237 WeakPolarHBondContact CA-O 3.27Å; S161-L237 VanDerWaalsContact CB-O 3.27Å; S161-L237 WeakPolarHBondContact CB-O 3.22Å; T162-L237 PolarHBondContact N-O 3.08Å; T162-L237 PolarHBondContact O-N 3.23Å; A164-L237 HydrophobicContact CB-CD1 3.92Å; D235-L237 HydrophobicContact CB-CD2 4.5Å; L237-S239 PolarHBondContact O-N 3.13Å; L237-Y241 HydrophobicContact CB-CD1 4.47Å; L237-V242 HydrophobicContact CB-CG2 3.93Å; L237-V242 HydrophobicContact CD1-CG2 4.13Å; L237-I252 HydrophobicContact CD1-CG2 3.72Å; L237-Y282 HydrophobicContact CD1-CD2 4.35Å; L237-Y282 HydrophobicContact CD1-CE2 3.64Å; L237-Y282 HydrophobicContact CD2-CD2 4.16Å; L237-Y282 HydrophobicContact CD2-CE1 4.4Å; L237-Y282 HydrophobicContact CD2-CE2 3.69Å; L237-Y282 HydrophobicContact CG-CE2 4.27Å; L237-N285 WeakPolarHBondContact CA-O 3.07Å; L237-I286 HydrophobicContact CD2-CG1 3.75Å
238	R	95	Very high	87.2	Confident	124 Å²	124	37.6 Å²	37.6	47%	0.468	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51	127.7	170.6	-71.7	-179.5	-178.5	-168.4	-0.1	110.5	S240 Y241 V242 N285 Q287	R238-S240 VanDerWaalsContact C-N 3.26Å; R238-S240 PolarHBondContact O-N 3.44Å; R238-Y241 WeakPolarHBondContact O-CB 3.49Å; R238-Y241 PolarHBondContact O-N 3.34Å; R238-V242 PolarHBondContact O-N 3.4Å; R238-N285 PolarHBondContact N-O 3.3Å; R238-Q287 HydrophobicContact CG-CG 3.78Å
239	S	92	Very high	86.6	Confident	38 Å²	38	39.6 Å²	39.6	27%	0.266	23%	0.231	S	C	.	.	H	α-helix	trans	-61.9	-35.8	-177.9	-61.3	0	0	0	0	112.2	S160 S161 T162 L237 Y241 V242 S243	S160-S239 VanDerWaalsContact O-CB 3.25Å; S160-S239 WeakPolarHBondContact O-CB 3.35Å; S160-S239 PolarHBondContact O-N 3.05Å; S160-S239 PolarHBondContact O-OG 2.81Å; S161-S239 WeakPolarHBondContact CA-OG 3.38Å; S161-S239 PolarHBondContact N-OG 3.43Å; S161-S239 PolarHBondContact O-OG 2.91Å; T162-S239 PolarHBondContact OG1-OG 2.74Å; L237-S239 PolarHBondContact O-N 3.13Å; S239-Y241 VanDerWaalsContact C-N 3.28Å; S239-Y241 PolarHBondContact O-N 3.17Å; S239-V242 PolarHBondContact O-N 3.01Å; S239-S243 PolarHBondContact O-N 3.28Å; S239-S243 PolarHBondContact O-OG 3.5Å
240	S	91.3	Very high	86.1	Confident	68 Å²	68	43.7 Å²	43.7	48%	0.476	26%	0.26	S	S	.	.	H	α-helix	trans	-59.5	-38.7	175.5	61.8	0	0	0	0	112.4	R238 V242 S243 D244	R238-S240 VanDerWaalsContact C-N 3.26Å; R238-S240 PolarHBondContact O-N 3.44Å; S240-V242 PolarHBondContact O-N 3.08Å; S240-S243 WeakPolarHBondContact CA-OG 3.36Å; S240-S243 PolarHBondContact O-OG 3.29Å; S240-S243 VanDerWaalsContact O-OG 3.04Å; S240-D244 VanDerWaalsContact O-CB 3.28Å; S240-D244 WeakPolarHBondContact O-CB 3.36Å; S240-D244 PolarHBondContact O-N 3.35Å
241	Y	91.1	Very high	85.8	Confident	40 Å²	40	46 Å²	46	16%	0.157	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-43.4	177	168.3	-113	0	0	0	111	L237 R238 S239 S245 I252 T281 Y282 N285	L237-Y241 HydrophobicContact CB-CD1 4.47Å; R238-Y241 WeakPolarHBondContact O-CB 3.49Å; R238-Y241 PolarHBondContact O-N 3.34Å; S239-Y241 VanDerWaalsContact C-N 3.28Å; S239-Y241 PolarHBondContact O-N 3.17Å; Y241-S245 WeakPolarHBondContact O-CB 3.37Å; Y241-S245 PolarHBondContact O-N 2.98Å; Y241-S245 PolarHBondContact O-OG 3.5Å; Y241-I252 HydrophobicContact CE1-CD1 4.43Å; Y241-I252 HydrophobicContact CE1-CG1 4.32Å; Y241-I252 HydrophobicContact CE1-CG2 4.43Å; Y241-T281 HydrophobicContact CE2-CG2 3.99Å; Y241-Y282 HydrophobicContact CE1-CD2 4.39Å; Y241-N285 HydrophobicContact CD1-CB 3.75Å; Y241-N285 HydrophobicContact CD2-CB 4.38Å; Y241-N285 HydrophobicContact CE1-CB 4.29Å; Y241-N285 HydrophobicContact CG-CB 3.79Å
242	V	89.3	Confident	85.6	Confident	15 Å²	15	46.1 Å²	46.1	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-72.7	-38.5	-179.8	-176.4	0	0	0	0	112.1	I116 T162 L237 R238 S239 S240 S245 S246 I252	I116-V242 HydrophobicContact CG2-CG1 4.4Å; T162-V242 HydrophobicContact CG2-CB 4.48Å; T162-V242 HydrophobicContact CG2-CG1 4.13Å; T162-V242 HydrophobicContact CG2-CG2 4.28Å; L237-V242 HydrophobicContact CB-CG2 3.93Å; L237-V242 HydrophobicContact CD1-CG2 4.13Å; R238-V242 PolarHBondContact O-N 3.4Å; S239-V242 PolarHBondContact O-N 3.01Å; S240-V242 PolarHBondContact O-N 3.08Å; V242-S245 CarbonylContact O-C 3.54Å; V242-S245 PolarHBondContact O-N 2.64Å; V242-S245 PolarHBondContact O-OG 2.97Å; V242-S246 PolarHBondContact O-N 3.44Å; V242-I252 HydrophobicContact CG1-CD1 4.27Å; V242-I252 HydrophobicContact CG2-CD1 4.44Å
243	S	84.7	Confident	85.5	Confident	68 Å²	68	49.4 Å²	49.4	48%	0.476	29%	0.289	S	S	.	.	H	α-helix	trans	-67.3	-45	178.9	59.1	0	0	0	0	112.5	S239 S240 S245 S246	S239-S243 PolarHBondContact O-N 3.28Å; S239-S243 PolarHBondContact O-OG 3.5Å; S240-S243 WeakPolarHBondContact CA-OG 3.36Å; S240-S243 PolarHBondContact O-OG 3.29Å; S240-S243 VanDerWaalsContact O-OG 3.04Å; S243-S245 PolarHBondContact O-N 2.94Å; S243-S246 WeakPolarHBondContact O-CB 3.34Å; S243-S246 PolarHBondContact O-N 2.91Å; S243-S246 PolarHBondContact O-OG 2.87Å; S243-S246 VanDerWaalsContact O-OG 3.08Å
244	D	79.6	Confident	85.2	Confident	137 Å²	137	51 Å²	51	73%	0.733	30%	0.302	S	S	*	.	H	α-helix	trans	-68	-24.5	-178.4	-65.6	-7.8	0	0	0	111.6	S240	S240-D244 VanDerWaalsContact O-CB 3.28Å; S240-D244 WeakPolarHBondContact O-CB 3.36Å; S240-D244 PolarHBondContact O-N 3.35Å
245	S	70.6	Confident	84.9	Confident	15 Å²	15	51.6 Å²	51.6	11%	0.105	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	23.9	177.6	63.1	0	0	0	0	113	Y241 V242 S243 S247 D248 T249 I252	Y241-S245 WeakPolarHBondContact O-CB 3.37Å; Y241-S245 PolarHBondContact O-N 2.98Å; Y241-S245 PolarHBondContact O-OG 3.5Å; V242-S245 CarbonylContact O-C 3.54Å; V242-S245 PolarHBondContact O-N 2.64Å; V242-S245 PolarHBondContact O-OG 2.97Å; S243-S245 PolarHBondContact O-N 2.94Å; S245-S247 PolarHBondContact O-N 2.75Å; S245-S247 VanDerWaalsContact O-N 3.15Å; S245-D248 CarbonylContact O-C 3.43Å; S245-D248 VanDerWaalsContact O-C 3.31Å; S245-D248 VanDerWaalsContact O-CA 3.29Å; S245-D248 WeakPolarHBondContact O-CA 3.48Å; S245-D248 PolarHBondContact O-N 2.89Å; S245-T249 PolarHBondContact O-N 2.57Å; S245-I252 WeakPolarHBondContact OG-CD1 3.49Å
246	S	62.4	Low	84.7	Confident	82 Å²	82	51.5 Å²	51.5	57%	0.573	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-54.7	-34.5	-179.1	51.3	0	0	0	0	113.4	V242 S243 D248 T249	V242-S246 PolarHBondContact O-N 3.44Å; S243-S246 WeakPolarHBondContact O-CB 3.34Å; S243-S246 PolarHBondContact O-N 2.91Å; S243-S246 PolarHBondContact O-OG 2.87Å; S243-S246 VanDerWaalsContact O-OG 3.08Å; S246-D248 VanDerWaalsContact C-N 3.29Å; S246-D248 PolarHBondContact O-N 3.01Å; S246-T249 PolarHBondContact O-OG1 2.78Å
247	S	56.7	Low	84.3	Confident	104 Å²	104	51.6 Å²	51.6	73%	0.727	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-69.1	-21.2	171.5	55.3	0	0	0	0	114.4	S245	S245-S247 PolarHBondContact O-N 2.75Å; S245-S247 VanDerWaalsContact O-N 3.15Å
248	D	73.2	Confident	83.8	Confident	86 Å²	86	55.6 Å²	55.6	46%	0.46	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-106.5	19.5	-179.3	-69.3	-25.1	0	0	0	112.9	S245 S246 S250 T251 I252	S245-D248 CarbonylContact O-C 3.43Å; S245-D248 VanDerWaalsContact O-C 3.31Å; S245-D248 VanDerWaalsContact O-CA 3.29Å; S245-D248 WeakPolarHBondContact O-CA 3.48Å; S245-D248 PolarHBondContact O-N 2.89Å; S246-D248 VanDerWaalsContact C-N 3.29Å; S246-D248 PolarHBondContact O-N 3.01Å; D248-S250 PolarHBondContact O-N 3.11Å; D248-S250 VanDerWaalsContact O-N 3.07Å; D248-T251 WeakPolarHBondContact O-CA 3.3Å; D248-T251 WeakPolarHBondContact O-CB 3.36Å; D248-T251 PolarHBondContact O-N 3.01Å; D248-I252 PolarHBondContact O-N 3.06Å; D248-I252 VanDerWaalsContact O-N 3.17Å
249	T	83.3	Confident	83.5	Confident	43 Å²	43	49.8 Å²	49.8	26%	0.264	31%	0.305	S	S	.	.	H	α-helix	trans	-52.6	-35.8	-178.6	-59.8	0	0	0	0	112.5	I116 S245 S246 T251 I252 K253	I116-T249 HydrophobicContact CG1-CG2 4.16Å; S245-T249 PolarHBondContact O-N 2.57Å; S246-T249 PolarHBondContact O-OG1 2.78Å; T249-T251 VanDerWaalsContact C-N 3.31Å; T249-T251 PolarHBondContact O-N 2.91Å; T249-I252 PolarHBondContact O-N 2.92Å; T249-K253 HydrophobicContact CG2-CD 4.45Å; T249-K253 WeakPolarHBondContact O-CG 3.44Å; T249-K253 PolarHBondContact O-N 2.97Å
250	S	84.4	Confident	83.3	Confident	85 Å²	85	48 Å²	48	59%	0.594	29%	0.292	S	S	*	.	H	α-helix	trans	-62.3	-36.6	174.3	51.4	0	0	0	0	112.9	D248 K253 A254	D248-S250 PolarHBondContact O-N 3.11Å; D248-S250 VanDerWaalsContact O-N 3.07Å; S250-K253 PolarHBondContact O-N 3.13Å; S250-A254 PolarHBondContact O-N 3.01Å
251	T	86.6	Confident	82.9	Confident	50 Å²	50	46.8 Å²	46.8	31%	0.307	28%	0.278	S	S	.	.	H	α-helix	trans	-66.3	-45.7	176.5	-53.7	0	0	0	0	110.1	D248 T249 K253 A254 Q255 L278	D248-T251 WeakPolarHBondContact O-CA 3.3Å; D248-T251 WeakPolarHBondContact O-CB 3.36Å; D248-T251 PolarHBondContact O-N 3.01Å; T249-T251 VanDerWaalsContact C-N 3.31Å; T249-T251 PolarHBondContact O-N 2.91Å; T251-K253 VanDerWaalsContact C-N 3.32Å; T251-K253 PolarHBondContact O-N 2.73Å; T251-A254 PolarHBondContact O-N 2.89Å; T251-Q255 WeakPolarHBondContact O-CG 3.26Å; T251-Q255 PolarHBondContact O-N 3.15Å; T251-L278 HydrophobicContact CG2-CD1 4.45Å
252	I	88.9	Confident	82.3	Confident	2 Å²	2	47 Å²	47	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-59	-45.5	176.1	-56.6	171	0	0	0	110.5	I116 L237 Y241 V242 S245 D248 T249 A254 Q255 A256 Y282	I116-I252 HydrophobicContact CD1-CG2 4.05Å; L237-I252 HydrophobicContact CD1-CG2 3.72Å; Y241-I252 HydrophobicContact CE1-CD1 4.43Å; Y241-I252 HydrophobicContact CE1-CG1 4.32Å; Y241-I252 HydrophobicContact CE1-CG2 4.43Å; V242-I252 HydrophobicContact CG1-CD1 4.27Å; V242-I252 HydrophobicContact CG2-CD1 4.44Å; S245-I252 WeakPolarHBondContact OG-CD1 3.49Å; D248-I252 PolarHBondContact O-N 3.06Å; D248-I252 VanDerWaalsContact O-N 3.17Å; T249-I252 PolarHBondContact O-N 2.92Å; I252-A254 VanDerWaalsContact C-N 3.31Å; I252-A254 PolarHBondContact O-N 3.12Å; I252-Q255 PolarHBondContact O-N 3.43Å; I252-Q255 VanDerWaalsContact O-N 3.15Å; I252-A256 PolarHBondContact O-N 2.73Å; I252-Y282 HydrophobicContact CG2-CD2 4.19Å; I252-Y282 HydrophobicContact CG2-CE2 4Å
253	K	89.9	Confident	81.8	Confident	73 Å²	73	49 Å²	49	32%	0.317	29%	0.29	S	S	.	.	H	α-helix	trans	-59.6	-41	178.2	-71.8	178.3	171.3	-173.7	0	112.9	S114 I116 T249 S250 T251 G257	S114-K253 PolarHBondContact N-O 3.11Å; S114-K253 WeakPolarHBondContact O-CD 3.43Å; S114-K253 WeakPolarHBondContact O-CE 3.44Å; S114-K253 WeakPolarHBondContact O-CG 3.14Å; S114-K253 VanDerWaalsContact OG-CA 3.32Å; S114-K253 WeakPolarHBondContact OG-CA 3.31Å; I116-K253 HydrophobicContact CD1-CG 4.22Å; I116-K253 HydrophobicContact CG1-CD 4.4Å; I116-K253 HydrophobicContact CG1-CG 3.75Å; T249-K253 HydrophobicContact CG2-CD 4.45Å; T249-K253 WeakPolarHBondContact O-CG 3.44Å; T249-K253 PolarHBondContact O-N 2.97Å; S250-K253 PolarHBondContact O-N 3.13Å; T251-K253 VanDerWaalsContact C-N 3.32Å; T251-K253 PolarHBondContact O-N 2.73Å; K253-G257 PolarHBondContact O-N 2.85Å
254	A	87.6	Confident	81.4	Confident	36 Å²	36	46.1 Å²	46.1	30%	0.298	27%	0.269	S	S	.	.	H	α-helix	trans	-67.7	-41.2	175.1	0	0	0	0	0	111.8	S250 T251 I252 G257 L258	S250-A254 PolarHBondContact O-N 3.01Å; T251-A254 PolarHBondContact O-N 2.89Å; I252-A254 VanDerWaalsContact C-N 3.31Å; I252-A254 PolarHBondContact O-N 3.12Å; A254-G257 PolarHBondContact O-N 2.91Å; A254-L258 WeakPolarHBondContact O-CG 3.06Å; A254-L258 PolarHBondContact O-N 3.19Å
255	Q	88.7	Confident	80.8	Confident	15 Å²	15	47.3 Å²	47.3	7%	0.07	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-37.7	177.1	-65.3	-44.8	-45.8	0	0	112.5	T251 I252 G257 L258 N259 L278 Y282	T251-Q255 WeakPolarHBondContact O-CG 3.26Å; T251-Q255 PolarHBondContact O-N 3.15Å; I252-Q255 PolarHBondContact O-N 3.43Å; I252-Q255 VanDerWaalsContact O-N 3.15Å; Q255-G257 VanDerWaalsContact C-N 3.34Å; Q255-L258 PolarHBondContact O-N 3.36Å; Q255-N259 VanDerWaalsContact O-CB 3.27Å; Q255-N259 WeakPolarHBondContact O-CB 3.34Å; Q255-N259 PolarHBondContact O-N 2.95Å; Q255-L278 HydrophobicContact CG-CB 4.48Å; Q255-Y282 HydrophobicContact CB-CD2 3.79Å; Q255-Y282 HydrophobicContact CB-CE2 4.47Å; Q255-Y282 HydrophobicContact CB-CG 3.81Å
256	A	90.4	Very high	80.2	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-44.8	173.1	0	0	0	0	0	111.4	S114 A164 V166 I252 N259 F260 Y282	S114-A256 WeakPolarHBondContact OG-CB 3.47Å; A164-A256 HydrophobicContact CB-CB 4.19Å; V166-A256 HydrophobicContact CG2-CB 4.04Å; I252-A256 PolarHBondContact O-N 2.73Å; A256-N259 PolarHBondContact O-N 3Å; A256-F260 PolarHBondContact O-N 3.01Å; A256-Y282 WeakPolarHBondContact CA-OH 3.25Å; A256-Y282 HydrophobicContact CB-CE2 3.9Å; A256-Y282 VanDerWaalsContact CB-OH 3.26Å; A256-Y282 WeakPolarHBondContact CB-OH 3.26Å
257	G	88.4	Confident	79.5	Confident	2 Å²	2	51.9 Å²	51.9	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-59.1	-50.5	173.1	0	0	0	0	0	112.5	T112 K253 A254 Q255 N259 F260 F261	T112-G257 WeakPolarHBondContact O-CA 3.32Å; K253-G257 PolarHBondContact O-N 2.85Å; A254-G257 PolarHBondContact O-N 2.91Å; Q255-G257 VanDerWaalsContact C-N 3.34Å; G257-N259 VanDerWaalsContact C-N 3.35Å; G257-N259 PolarHBondContact O-N 3.11Å; G257-F260 WeakPolarHBondContact O-CB 3.37Å; G257-F260 PolarHBondContact O-N 3.48Å; G257-F261 WeakPolarHBondContact O-CD2 3.35Å; G257-F261 PolarHBondContact O-N 2.91Å
258	L	86.3	Confident	78.8	Confident	83 Å²	83	54 Å²	54	44%	0.435	28%	0.283	S	S	.	.	H	α-helix	trans	-58.1	-45.6	176.6	-70.1	173.5	0	0	0	111.8	A254 Q255 F260 F261 D262 L279	A254-L258 WeakPolarHBondContact O-CG 3.06Å; A254-L258 PolarHBondContact O-N 3.19Å; Q255-L258 PolarHBondContact O-N 3.36Å; L258-F260 VanDerWaalsContact C-N 3.29Å; L258-F260 PolarHBondContact O-N 3.38Å; L258-F261 PolarHBondContact O-N 3.47Å; L258-D262 VanDerWaalsContact O-CB 3.31Å; L258-D262 WeakPolarHBondContact O-CB 3.43Å; L258-D262 VanDerWaalsContact O-CG 3.26Å; L258-D262 PolarHBondContact O-N 3.25Å; L258-L279 HydrophobicContact CB-CD1 4.34Å
259	N	87.5	Confident	76.9	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-58.6	-40.1	177.1	-172.3	53	0	0	0	112.1	Q233 D235 Q255 A256 G257 K263 L279 Y282 Q283	Q233-N259 PolarHBondContact NE2-ND2 3.03Å; Q233-N259 VanDerWaalsContact NE2-ND2 3.11Å; D235-N259 PolarHBondContact OD2-ND2 2.93Å; Q255-N259 VanDerWaalsContact O-CB 3.27Å; Q255-N259 WeakPolarHBondContact O-CB 3.34Å; Q255-N259 PolarHBondContact O-N 2.95Å; A256-N259 PolarHBondContact O-N 3Å; G257-N259 VanDerWaalsContact C-N 3.35Å; G257-N259 PolarHBondContact O-N 3.11Å; N259-K263 WeakPolarHBondContact O-CG 3.45Å; N259-K263 PolarHBondContact O-N 3.28Å; N259-L279 HydrophobicContact CB-CD1 3.95Å; N259-Y282 HydrophobicContact CB-CD1 4.18Å; N259-Y282 HydrophobicContact CB-CE1 3.84Å; N259-Q283 PolarHBondContact OD1-NE2 3.04Å
260	F	87.8	Confident	74.7	Confident	1 Å²	1	55.9 Å²	55.9	0%	0.004	30%	0.304	C	S	.	.	H	α-helix	trans	-65.7	-50.1	176.2	171.8	-106.2	0	0	0	112.2	V166 V168 L231 Q233 A256 G257 L258 D262 K263 L264	V166-F260 HydrophobicContact CB-CB 4.21Å; V166-F260 HydrophobicContact CB-CG 4.25Å; V166-F260 HydrophobicContact CG1-CB 3.97Å; V166-F260 HydrophobicContact CG1-CD1 3.58Å; V166-F260 HydrophobicContact CG1-CE1 4.17Å; V166-F260 HydrophobicContact CG1-CG 3.78Å; V166-F260 HydrophobicContact CG2-CB 4.41Å; V168-F260 HydrophobicContact CG2-CE1 3.61Å; V168-F260 HydrophobicContact CG2-CZ 3.87Å; L231-F260 HydrophobicContact CD2-CE2 4.2Å; L231-F260 HydrophobicContact CD2-CZ 3.92Å; L231-F260 HydrophobicContact CG-CE2 4.13Å; L231-F260 HydrophobicContact CG-CZ 4.06Å; Q233-F260 HydrophobicContact CB-CD2 3.58Å; Q233-F260 HydrophobicContact CB-CE2 4.13Å; Q233-F260 HydrophobicContact CB-CG 4.45Å; Q233-F260 HydrophobicContact CG-CD2 4.46Å; A256-F260 PolarHBondContact O-N 3.01Å; G257-F260 WeakPolarHBondContact O-CB 3.37Å; G257-F260 PolarHBondContact O-N 3.48Å; L258-F260 VanDerWaalsContact C-N 3.29Å; L258-F260 PolarHBondContact O-N 3.38Å; F260-D262 VanDerWaalsContact C-N 3.34Å; F260-D262 PolarHBondContact O-N 3.24Å; F260-K263 PolarHBondContact O-N 2.92Å; F260-L264 HydrophobicContact CD1-CD1 4.12Å; F260-L264 HydrophobicContact CE1-CD1 3.58Å; F260-L264 HydrophobicContact CE2-CD1 4.33Å; F260-L264 HydrophobicContact CZ-CD1 3.72Å; F260-L264 HydrophobicContact CZ-CG 4.5Å; F260-L264 PolarHBondContact O-N 3.41Å
261	F	83.2	Confident	72.7	Confident	41 Å²	41	61.2 Å²	61.2	18%	0.18	32%	0.32	C	S	.	.	H	α-helix	trans	-69.9	-29.7	-179.7	-69.9	-68.7	0	0	0	113.4	V110 T112 G257 L258 K263 L264 K265 L305	V110-F261 HydrophobicContact CG1-CE1 3.94Å; V110-F261 HydrophobicContact CG1-CZ 3.49Å; V110-F261 VanDerWaalsContact CG1-CZ 3.49Å; T112-F261 HydrophobicContact CG2-CE2 3.98Å; T112-F261 HydrophobicContact CG2-CZ 4.17Å; G257-F261 WeakPolarHBondContact O-CD2 3.35Å; G257-F261 PolarHBondContact O-N 2.91Å; L258-F261 PolarHBondContact O-N 3.47Å; F261-K263 VanDerWaalsContact C-N 3.32Å; F261-L264 HydrophobicContact CD1-CD1 3.93Å; F261-L264 HydrophobicContact CE1-CD1 4.3Å; F261-L264 PolarHBondContact O-N 3.34Å; F261-K265 WeakPolarHBondContact O-CG 3.47Å; F261-K265 PolarHBondContact O-N 3.38Å; F261-K265 VanDerWaalsContact O-N 3.16Å; F261-L305 HydrophobicContact CE1-CD2 4.27Å
262	D	79.4	Confident	70.8	Confident	44 Å²	44	61.4 Å²	61.4	24%	0.235	32%	0.323	C	S	.	.	H	α-helix	trans	-64.4	-39.1	173.7	-78.1	-1.7	0	0	0	111	L258 F260 L264 K265 F266 L279	L258-D262 VanDerWaalsContact O-CB 3.31Å; L258-D262 WeakPolarHBondContact O-CB 3.43Å; L258-D262 VanDerWaalsContact O-CG 3.26Å; L258-D262 PolarHBondContact O-N 3.25Å; F260-D262 VanDerWaalsContact C-N 3.34Å; F260-D262 PolarHBondContact O-N 3.24Å; D262-L264 VanDerWaalsContact C-N 3.28Å; D262-L264 PolarHBondContact O-N 3.19Å; D262-K265 PolarHBondContact O-N 3.28Å; D262-F266 PolarHBondContact O-N 2.87Å; D262-L279 VanDerWaalsContact OD2-CD2 3.23Å; D262-L279 WeakPolarHBondContact OD2-CD2 3.34Å
263	K	78.4	Confident	68.7	Low	59 Å²	59	66.7 Å²	66.7	26%	0.257	36%	0.36	S	S	.	.	H	α-helix	trans	-65.2	-28.5	173.7	-70.7	175.6	-175.4	175.7	0	113.3	D235 N259 F260 F261 S289 I291	D235-K263 IonicContact OD1-NZ 2.79Å; N259-K263 WeakPolarHBondContact O-CG 3.45Å; N259-K263 PolarHBondContact O-N 3.28Å; F260-K263 PolarHBondContact O-N 2.92Å; F261-K263 VanDerWaalsContact C-N 3.32Å; K263-S289 PolarHBondContact NZ-OG 3.12Å; K263-S289 VanDerWaalsContact NZ-OG 3.12Å; K263-I291 HydrophobicContact CD-CD1 3.82Å
264	L	76	Confident	66.9	Low	7 Å²	7	72.6 Å²	72.6	4%	0.037	39%	0.389	C	S	.	.	H	α-helix	trans	-78	-21.6	175.5	-66.5	173.9	0	0	0	113.6	L231 F260 F261 D262 F299 L305	L231-L264 HydrophobicContact CD2-CD2 3.89Å; F260-L264 HydrophobicContact CD1-CD1 4.12Å; F260-L264 HydrophobicContact CE1-CD1 3.58Å; F260-L264 HydrophobicContact CE2-CD1 4.33Å; F260-L264 HydrophobicContact CZ-CD1 3.72Å; F260-L264 HydrophobicContact CZ-CG 4.5Å; F260-L264 PolarHBondContact O-N 3.41Å; F261-L264 HydrophobicContact CD1-CD1 3.93Å; F261-L264 HydrophobicContact CE1-CD1 4.3Å; F261-L264 PolarHBondContact O-N 3.34Å; D262-L264 VanDerWaalsContact C-N 3.28Å; D262-L264 PolarHBondContact O-N 3.19Å; L264-F299 HydrophobicContact CD2-CE2 3.74Å; L264-L305 HydrophobicContact CD1-CB 4.43Å; L264-L305 HydrophobicContact CD1-CD1 4.41Å
265	K	67.2	Low	65.6	Low	161 Å²	161	73.5 Å²	73.5	70%	0.7	39%	0.387	S	S	*	.	H	α-helix	trans	-89.5	-13.8	177.8	-68.9	170.7	-174.9	172.6	0	113.1	F261 D262 D267	F261-K265 WeakPolarHBondContact O-CG 3.47Å; F261-K265 PolarHBondContact O-N 3.38Å; F261-K265 VanDerWaalsContact O-N 3.16Å; D262-K265 PolarHBondContact O-N 3.28Å; K265-D267 PolarHBondContact O-N 3.47Å
266	F	57	Low	64.8	Low	79 Å²	79	75.5 Å²	75.5	35%	0.346	40%	0.403	S	S	.	.			trans	-79.7	107.5	-163.1	-130.5	-83.2	0	0	0	113.5	D262 S270 G302	D262-F266 PolarHBondContact O-N 2.87Å; F266-S270 WeakPolarHBondContact CE1-O 3.46Å; F266-S270 WeakPolarHBondContact CZ-O 3.36Å; F266-G302 WeakPolarHBondContact O-CA 3.39Å; F266-G302 PolarHBondContact O-N 3.49Å
267	D	49.2	Very low	64.2	Low	114 Å²	114	79.8 Å²	79.8	61%	0.61	43%	0.433	S	S	*	.			trans	-77.3	132.1	159.9	-158.6	-10.5	0	0	0	108.5	K265 S269 S270	K265-D267 PolarHBondContact O-N 3.47Å; D267-S269 PolarHBondContact O-N 3.43Å; D267-S270 PolarHBondContact O-N 2.79Å
268	I	41.4	Very low	63.9	Low	150 Å²	150	84.1 Å²	84.1	77%	0.769	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-1.6	-168.9	-83	170.5	0	0	0	113.9
269	S	33.6	Very low	63.8	Low	103 Å²	103	80.4 Å²	80.4	72%	0.72	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-1.8	-172.3	62.4	0	0	0	0	116.6	D267	D267-S269 PolarHBondContact O-N 3.43Å
270	S	36.1	Very low	63.8	Low	65 Å²	65	85.7 Å²	85.7	46%	0.455	46%	0.458	S	S	.	.			trans	-113.3	121.7	-174.9	74.4	0	0	0	0	114.6	F266 D267 S272	F266-S270 WeakPolarHBondContact CE1-O 3.46Å; F266-S270 WeakPolarHBondContact CZ-O 3.36Å; D267-S270 PolarHBondContact O-N 2.79Å; S270-S272 PolarHBondContact O-N 2.71Å
271	Q	43	Very low	63.9	Low	196 Å²	196	88.8 Å²	88.8	92%	0.916	48%	0.477	S	S	*	.			trans	-61.4	111	161.9	-78.7	173.6	-19.9	0	0	108.2	S273	Q271-S273 PolarHBondContact O-N 3.26Å; Q271-S273 VanDerWaalsContact O-N 3.08Å
272	S	46.8	Very low	64.2	Low	54 Å²	54	86.8 Å²	86.8	38%	0.378	47%	0.469	S	S	.	.			trans	-68.1	112.3	-177.8	92.8	0	0	0	0	110.5	S270 Q275	S270-S272 PolarHBondContact O-N 2.71Å; S272-Q275 WeakPolarHBondContact OG-CG 2.85Å
273	S	45	Very low	64.8	Low	114 Å²	114	87.6 Å²	87.6	80%	0.797	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	123.4	170	41.6	0	0	0	0	109.7	Q271	Q271-S273 PolarHBondContact O-N 3.26Å; Q271-S273 VanDerWaalsContact O-N 3.08Å
274	Q	51.9	Low	65.5	Low	197 Å²	197	88.7 Å²	88.7	92%	0.921	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	54.1	174.6	-54.9	-167.4	-3	0	0	118.5	S276	Q274-S276 PolarHBondContact O-N 3.12Å
275	Q	59.5	Low	66.4	Low	55 Å²	55	89.4 Å²	89.4	26%	0.257	49%	0.49	S	S	.	.			trans	-65.6	130.5	156.4	-84.5	174.1	-20.9	0	0	110.9	S272 L279 K280	S272-Q275 WeakPolarHBondContact OG-CG 2.85Å; Q275-L279 HydrophobicContact CG-CD2 4.27Å; Q275-K280 HydrophobicContact CB-CG 4.16Å
276	S	71.9	Confident	67.8	Low	57 Å²	57	83.7 Å²	83.7	40%	0.399	47%	0.467	S	S	.	.			trans	-58.2	146.9	174.5	74.8	0	0	0	0	110.7	Q274 L278 L279 K280	Q274-S276 PolarHBondContact O-N 3.12Å; S276-L278 PolarHBondContact O-N 3.3Å; S276-L279 PolarHBondContact O-N 3.48Å; S276-L279 WeakPolarHBondContact OG-CB 3.47Å; S276-L279 PolarHBondContact OG-N 2.88Å; S276-K280 PolarHBondContact O-N 3.44Å
277	S	79.3	Confident	69.6	Low	91 Å²	91	83.7 Å²	83.7	64%	0.636	47%	0.468	S	S	*	.	H	α-helix	trans	-56.5	-35.2	176.5	51.3	0	0	0	0	112	K280 T281	S277-K280 PolarHBondContact O-N 2.88Å; S277-T281 PolarHBondContact O-N 2.95Å; S277-T281 VanDerWaalsContact O-N 3.09Å; S277-T281 PolarHBondContact O-OG1 2.91Å; S277-T281 VanDerWaalsContact O-OG1 3.11Å
278	L	81.9	Confident	71.8	Confident	93 Å²	93	82.1 Å²	82.1	49%	0.487	45%	0.454	S	S	.	.	H	α-helix	trans	-64.1	-43	177.7	-65.6	173.3	0	0	0	112.8	T251 Q255 S276 T281 Y282	T251-L278 HydrophobicContact CG2-CD1 4.45Å; Q255-L278 HydrophobicContact CG-CB 4.48Å; S276-L278 PolarHBondContact O-N 3.3Å; L278-T281 PolarHBondContact O-N 3.36Å; L278-Y282 PolarHBondContact O-N 2.91Å
279	L	84	Confident	74.4	Confident	5 Å²	5	77 Å²	77	3%	0.026	43%	0.431	C	S	.	.	H	α-helix	trans	-67.4	-37.7	179.1	-174.7	62.7	0	0	0	111.6	L258 N259 D262 Q275 S276 T281 Y282 Q283	L258-L279 HydrophobicContact CB-CD1 4.34Å; N259-L279 HydrophobicContact CB-CD1 3.95Å; D262-L279 VanDerWaalsContact OD2-CD2 3.23Å; D262-L279 WeakPolarHBondContact OD2-CD2 3.34Å; Q275-L279 HydrophobicContact CG-CD2 4.27Å; S276-L279 PolarHBondContact O-N 3.48Å; S276-L279 WeakPolarHBondContact OG-CB 3.47Å; S276-L279 PolarHBondContact OG-N 2.88Å; L279-T281 VanDerWaalsContact C-N 3.34Å; L279-T281 PolarHBondContact O-N 2.95Å; L279-Y282 WeakPolarHBondContact O-CB 3.38Å; L279-Y282 PolarHBondContact O-N 3.33Å; L279-Q283 WeakPolarHBondContact O-CB 3.35Å; L279-Q283 VanDerWaalsContact O-CG 3.31Å; L279-Q283 WeakPolarHBondContact O-CG 3.35Å; L279-Q283 PolarHBondContact O-N 3.08Å
280	K	86.7	Confident	77.2	Confident	113 Å²	113	74 Å²	74	49%	0.491	41%	0.407	S	S	.	.	H	α-helix	trans	-63.3	-40.5	174	-67.2	-176.7	-177.2	-178.6	0	111.9	Q275 S276 S277 Q283 S284	Q275-K280 HydrophobicContact CB-CG 4.16Å; S276-K280 PolarHBondContact O-N 3.44Å; S277-K280 PolarHBondContact O-N 2.88Å; K280-Q283 PolarHBondContact O-N 3.45Å; K280-S284 WeakPolarHBondContact O-CB 3.25Å; K280-S284 PolarHBondContact O-N 3.33Å; K280-S284 PolarHBondContact O-OG 3.06Å
281	T	90.1	Very high	79.9	Confident	66 Å²	66	72.8 Å²	72.8	41%	0.405	40%	0.395	S	S	.	.	H	α-helix	trans	-64.7	-41.1	174.3	-60.1	0	0	0	0	111.8	Y241 S277 L278 L279 S284 N285	Y241-T281 HydrophobicContact CE2-CG2 3.99Å; S277-T281 PolarHBondContact O-N 2.95Å; S277-T281 VanDerWaalsContact O-N 3.09Å; S277-T281 PolarHBondContact O-OG1 2.91Å; S277-T281 VanDerWaalsContact O-OG1 3.11Å; L278-T281 PolarHBondContact O-N 3.36Å; L279-T281 VanDerWaalsContact C-N 3.34Å; L279-T281 PolarHBondContact O-N 2.95Å; T281-S284 PolarHBondContact O-OG 3.17Å; T281-N285 PolarHBondContact O-N 3.34Å; T281-N285 PolarHBondContact O-ND2 3.29Å
282	Y	91	Very high	82.3	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-59.6	-51.4	173.9	174.7	-89.5	0	0	0	110.8	D235 L237 Y241 I252 Q255 A256 N259 L278 L279 S284 N285 I286	D235-Y282 WeakPolarHBondContact CB-OH 3.26Å; D235-Y282 WeakPolarHBondContact OD2-CE1 3.44Å; D235-Y282 PolarHBondContact OD2-OH 3.1Å; L237-Y282 HydrophobicContact CD1-CD2 4.35Å; L237-Y282 HydrophobicContact CD1-CE2 3.64Å; L237-Y282 HydrophobicContact CD2-CD2 4.16Å; L237-Y282 HydrophobicContact CD2-CE1 4.4Å; L237-Y282 HydrophobicContact CD2-CE2 3.69Å; L237-Y282 HydrophobicContact CG-CE2 4.27Å; Y241-Y282 HydrophobicContact CE1-CD2 4.39Å; I252-Y282 HydrophobicContact CG2-CD2 4.19Å; I252-Y282 HydrophobicContact CG2-CE2 4Å; Q255-Y282 HydrophobicContact CB-CD2 3.79Å; Q255-Y282 HydrophobicContact CB-CE2 4.47Å; Q255-Y282 HydrophobicContact CB-CG 3.81Å; A256-Y282 WeakPolarHBondContact CA-OH 3.25Å; A256-Y282 HydrophobicContact CB-CE2 3.9Å; A256-Y282 VanDerWaalsContact CB-OH 3.26Å; A256-Y282 WeakPolarHBondContact CB-OH 3.26Å; N259-Y282 HydrophobicContact CB-CD1 4.18Å; N259-Y282 HydrophobicContact CB-CE1 3.84Å; L278-Y282 PolarHBondContact O-N 2.91Å; L279-Y282 WeakPolarHBondContact O-CB 3.38Å; L279-Y282 PolarHBondContact O-N 3.33Å; Y282-S284 VanDerWaalsContact C-N 3.33Å; Y282-S284 PolarHBondContact O-N 3.09Å; Y282-N285 PolarHBondContact O-N 3.34Å; Y282-N285 VanDerWaalsContact O-N 3.08Å; Y282-I286 HydrophobicContact CD1-CD1 4.15Å; Y282-I286 HydrophobicContact CD1-CG1 4.47Å; Y282-I286 HydrophobicContact CE1-CD1 3.75Å; Y282-I286 HydrophobicContact CE1-CG1 4.14Å; Y282-I286 PolarHBondContact O-N 3.1Å
283	Q	91.6	Very high	84.5	Confident	61 Å²	61	65.3 Å²	65.3	29%	0.285	36%	0.358	S	S	.	.	H	α-helix	trans	-61.2	-37.3	-178.3	-73.4	172.4	-20.3	0	0	113.2	N259 L279 K280 N285 I286	N259-Q283 PolarHBondContact OD1-NE2 3.04Å; L279-Q283 WeakPolarHBondContact O-CB 3.35Å; L279-Q283 VanDerWaalsContact O-CG 3.31Å; L279-Q283 WeakPolarHBondContact O-CG 3.35Å; L279-Q283 PolarHBondContact O-N 3.08Å; K280-Q283 PolarHBondContact O-N 3.45Å; Q283-N285 PolarHBondContact O-N 2.87Å; Q283-I286 PolarHBondContact O-N 2.89Å
284	S	93.4	Very high	86.8	Confident	81 Å²	81	61.9 Å²	61.9	57%	0.566	33%	0.329	S	S	*	.	H	α-helix	trans	-71.4	-16.7	178	69.2	0	0	0	0	113.9	K280 T281 Y282	K280-S284 WeakPolarHBondContact O-CB 3.25Å; K280-S284 PolarHBondContact O-N 3.33Å; K280-S284 PolarHBondContact O-OG 3.06Å; T281-S284 PolarHBondContact O-OG 3.17Å; Y282-S284 VanDerWaalsContact C-N 3.33Å; Y282-S284 PolarHBondContact O-N 3.09Å
285	N	94.8	Very high	88.7	Confident	23 Å²	23	53.3 Å²	53.3	12%	0.123	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-2.2	176.5	-77.2	-74.2	0	0	0	113.7	L237 R238 Y241 T281 Y282 Q283 Q287	L237-N285 WeakPolarHBondContact CA-O 3.07Å; R238-N285 PolarHBondContact N-O 3.3Å; Y241-N285 HydrophobicContact CD1-CB 3.75Å; Y241-N285 HydrophobicContact CD2-CB 4.38Å; Y241-N285 HydrophobicContact CE1-CB 4.29Å; Y241-N285 HydrophobicContact CG-CB 3.79Å; T281-N285 PolarHBondContact O-N 3.34Å; T281-N285 PolarHBondContact O-ND2 3.29Å; Y282-N285 PolarHBondContact O-N 3.34Å; Y282-N285 VanDerWaalsContact O-N 3.08Å; Q283-N285 PolarHBondContact O-N 2.87Å; N285-Q287 PolarHBondContact O-N 3.06Å
286	I	95.2	Very high	90.2	Very high	41 Å²	41	51.1 Å²	51.1	21%	0.21	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	122.8	172	-60	174.2	0	0	0	109.1	D235 L237 Y282 Q283 Y288	D235-I286 HydrophobicContact CB-CG1 4.49Å; L237-I286 HydrophobicContact CD2-CG1 3.75Å; Y282-I286 HydrophobicContact CD1-CD1 4.15Å; Y282-I286 HydrophobicContact CD1-CG1 4.47Å; Y282-I286 HydrophobicContact CE1-CD1 3.75Å; Y282-I286 HydrophobicContact CE1-CG1 4.14Å; Y282-I286 PolarHBondContact O-N 3.1Å; Q283-I286 PolarHBondContact O-N 2.89Å; I286-Y288 WeakPolarHBondContact CG2-O 3.31Å
287	Q	95.6	Very high	91.1	Very high	79 Å²	79	50 Å²	50	37%	0.369	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-36.6	172.9	-68.4	179	-38	0	0	112.2	D159 S161 Y236 R238 N285	D159-Q287 VanDerWaalsContact CB-OE1 3.28Å; D159-Q287 VanDerWaalsContact O-CD 3.29Å; D159-Q287 PolarHBondContact O-NE2 3.11Å; D159-Q287 PolarHBondContact O-OE1 3.15Å; S161-Q287 VanDerWaalsContact CB-OE1 3.28Å; Y236-Q287 PolarHBondContact O-N 3.25Å; R238-Q287 HydrophobicContact CG-CG 3.78Å; N285-Q287 PolarHBondContact O-N 3.06Å
288	Y	96.1	Very high	91.6	Very high	81 Å²	81	50.8 Å²	50.8	32%	0.318	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	146.6	176.4	179.1	-105.2	0	0	0	109.5	H155 Y236 I286 L290	H155-Y288 AromaticContact CD2-CD1 3.8Å; H155-Y288 AromaticContact CE1-CD1 3.8Å; H155-Y288 AromaticContact CE1-CD2 3.87Å; H155-Y288 AromaticContact CE1-CG 3.61Å; H155-Y288 AromaticContact NE2-CD1 3.56Å; H155-Y288 AromaticContact NE2-CE1 3.64Å; H155-Y288 AromaticContact NE2-CG 3.84Å; H155-Y288 AromaticContact NE2-CZ 3.96Å; Y236-Y288 AromaticContact CD2-CD1 3.46Å; Y236-Y288 HydrophobicContact CD2-CD1 3.46Å; Y236-Y288 VanDerWaalsContact CD2-CD1 3.46Å; Y236-Y288 HydrophobicContact CD2-CE1 4.33Å; Y236-Y288 HydrophobicContact CD2-CG 4.32Å; Y236-Y288 AromaticContact CE2-CD1 3.63Å; Y236-Y288 HydrophobicContact CE2-CD1 3.63Å; Y236-Y288 HydrophobicContact CE2-CE1 4.07Å; Y236-Y288 HydrophobicContact CG-CD1 4.18Å; Y236-Y288 PolarHBondContact N-O 3.46Å; I286-Y288 WeakPolarHBondContact CG2-O 3.31Å; Y288-L290 HydrophobicContact CE1-CB 4.01Å
289	S	94.3	Very high	91.8	Very high	43 Å²	43	48.8 Å²	48.8	30%	0.301	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	137.6	180	-177.4	0	0	0	0	109.4	E234 D235 K263	E234-S289 WeakPolarHBondContact O-CA 3.4Å; D235-S289 VanDerWaalsContact OD1-CB 3.32Å; D235-S289 WeakPolarHBondContact OD1-CB 3.43Å; D235-S289 PolarHBondContact OD1-OG 3.44Å; K263-S289 PolarHBondContact NZ-OG 3.12Å; K263-S289 VanDerWaalsContact NZ-OG 3.12Å
290	L	93.9	Very high	91.8	Very high	40 Å²	40	53.3 Å²	53.3	21%	0.209	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.6	178.8	178.2	66.9	0	0	0	110.1	Q233 E234 Y288 Q292	Q233-L290 CarbonylContact C-O 3.43Å; Q233-L290 WeakPolarHBondContact CA-O 3.32Å; E234-L290 PolarHBondContact N-O 3.35Å; E234-L290 PolarHBondContact O-N 3.34Å; Y288-L290 HydrophobicContact CE1-CB 4.01Å; L290-Q292 HydrophobicContact CD1-CG 4.27Å; L290-Q292 HydrophobicContact CD2-CG 3.64Å; L290-Q292 HydrophobicContact CG-CG 3.73Å
291	I	91.7	Very high	91.5	Very high	38 Å²	38	52.1 Å²	52.1	20%	0.195	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.7	168.9	-58.4	178.1	0	0	0	108	L231 V232 Q233 K263 F299	L231-I291 HydrophobicContact CD1-CG2 3.77Å; L231-I291 HydrophobicContact CG-CG2 4.45Å; V232-I291 CarbonylContact O-C 3.48Å; V232-I291 VanDerWaalsContact O-CA 3.32Å; V232-I291 WeakPolarHBondContact O-CA 3.48Å; Q233-I291 HydrophobicContact CB-CG1 4.02Å; Q233-I291 HydrophobicContact CG-CG1 3.92Å; K263-I291 HydrophobicContact CD-CD1 3.82Å; I291-F299 HydrophobicContact CB-CD1 4.29Å; I291-F299 HydrophobicContact CB-CE1 4.01Å; I291-F299 HydrophobicContact CD1-CE1 3.87Å; I291-F299 HydrophobicContact CD1-CZ 3.74Å; I291-F299 HydrophobicContact CG2-CD1 3.82Å; I291-F299 HydrophobicContact CG2-CD2 4.3Å; I291-F299 HydrophobicContact CG2-CE1 3.76Å; I291-F299 HydrophobicContact CG2-CE2 4.23Å; I291-F299 HydrophobicContact CG2-CG 4.1Å; I291-F299 HydrophobicContact CG2-CZ 3.97Å
292	Q	93.1	Very high	90.9	Very high	57 Å²	57	50.2 Å²	50.2	27%	0.266	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127	177.7	-56	-166.6	-92.9	0	0	109.7	V232 L290	V232-Q292 PolarHBondContact N-O 3.4Å; V232-Q292 PolarHBondContact O-N 3.04Å; L290-Q292 HydrophobicContact CD1-CG 4.27Å; L290-Q292 HydrophobicContact CD2-CG 3.64Å; L290-Q292 HydrophobicContact CG-CG 3.73Å
293	S	93.3	Very high	90.5	Very high	36 Å²	36	50.2 Å²	50.2	25%	0.252	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.3	169.4	-172.5	0	0	0	0	108.8	G295 W308	S293-G295 PolarHBondContact OG-O 3.19Å; S293-W308 PolarHBondContact OG-NE1 3.49Å
294	H	93.6	Very high	90.3	Very high	42 Å²	42	50.7 Å²	50.7	19%	0.194	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.4	171.6	-57.7	-90.3	0	0	0	107.9	A229 S230 V317	A229-H294 CarbonylContact C-O 3.49Å; A229-H294 WeakPolarHBondContact CA-O 3.35Å; A229-H294 WeakPolarHBondContact CB-O 3.42Å; S230-H294 PolarHBondContact N-O 3.42Å; S230-H294 PolarHBondContact O-N 3.4Å; S230-H294 WeakPolarHBondContact OG-CB 3.34Å; S230-H294 PolarHBondContact OG-CD2 2.56Å; H294-V317 VanDerWaalsContact C-CG2 3.46Å; H294-V317 HydrophobicContact CB-CG2 3.92Å
295	G	91.9	Very high	89.9	Confident	17 Å²	17	48.5 Å²	48.5	18%	0.175	27%	0.268	C	S	.	.	S	Bend	trans	71	-167.2	-172.8	0	0	0	0	0	113	S293 N315 V317	S293-G295 PolarHBondContact OG-O 3.19Å; G295-N315 CarbonylContact C-O 3.48Å; G295-N315 WeakPolarHBondContact CA-O 3.26Å; G295-V317 VanDerWaalsContact N-CG2 3.35Å
296	S	91.6	Very high	89.6	Confident	9 Å²	9	53.5 Å²	53.5	6%	0.063	29%	0.29	C	S	.	.	S	Bend	trans	51.8	-156.1	-169.8	-164.2	0	0	0	0	112.4	W308 T312 N315	S296-W308 PolarHBondContact OG-O 3.04Å; S296-T312 PolarHBondContact OG-N 3.33Å; S296-N315 PolarHBondContact N-O 3.38Å; S296-N315 WeakPolarHBondContact O-CB 3.48Å
297	I	90.2	Very high	89.3	Confident	35 Å²	35	56 Å²	56	18%	0.179	30%	0.3	C	S	.	.	S	Bend	trans	-79.7	150	171.8	50.6	173.8	0	0	0	111.3	F299 I303 K307 N311	I297-F299 PolarHBondContact O-N 3.31Å; I297-I303 HydrophobicContact CD1-CD1 3.5Å; I297-I303 VanDerWaalsContact CD1-CD1 3.5Å; I297-I303 HydrophobicContact CG1-CD1 3.93Å; I297-K307 HydrophobicContact CD1-CG 4.23Å; I297-N311 HydrophobicContact CB-CB 4.36Å; I297-N311 HydrophobicContact CD1-CB 4.21Å; I297-N311 HydrophobicContact CG1-CB 3.97Å; I297-N311 HydrophobicContact CG2-CB 3.69Å
298	P	89.3	Confident	89	Confident	107 Å²	107	52.2 Å²	52.2	70%	0.695	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-53	134.1	175.6	-26.9	35	0	0	0	112.2
299	F	87.7	Confident	88.7	Confident	50 Å²	50	51.1 Å²	51.1	22%	0.219	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-70.7	138.4	175.9	174.1	-94.9	0	0	0	111.2	L231 L264 I291 I297 I303	L231-F299 HydrophobicContact CD1-CB 4.12Å; L231-F299 HydrophobicContact CD1-CD2 3.78Å; L231-F299 HydrophobicContact CD1-CG 4.07Å; L231-F299 HydrophobicContact CD2-CD2 4.09Å; L231-F299 HydrophobicContact CD2-CE2 4.36Å; L264-F299 HydrophobicContact CD2-CE2 3.74Å; I291-F299 HydrophobicContact CB-CD1 4.29Å; I291-F299 HydrophobicContact CB-CE1 4.01Å; I291-F299 HydrophobicContact CD1-CE1 3.87Å; I291-F299 HydrophobicContact CD1-CZ 3.74Å; I291-F299 HydrophobicContact CG2-CD1 3.82Å; I291-F299 HydrophobicContact CG2-CD2 4.3Å; I291-F299 HydrophobicContact CG2-CE1 3.76Å; I291-F299 HydrophobicContact CG2-CE2 4.23Å; I291-F299 HydrophobicContact CG2-CG 4.1Å; I291-F299 HydrophobicContact CG2-CZ 3.97Å; I297-F299 PolarHBondContact O-N 3.31Å; F299-I303 HydrophobicContact CD2-CG2 3.63Å; F299-I303 HydrophobicContact CE2-CG2 3.78Å
300	Y	83.8	Confident	88.4	Confident	101 Å²	101	54.8 Å²	54.8	40%	0.396	29%	0.292	S	S	.	.			trans	-142.7	146	168.2	58.9	-91.7	0	0	0	109	G302 I303 K307	Y300-G302 PolarHBondContact O-N 3.39Å; Y300-I303 HydrophobicContact CD1-CB 4.33Å; Y300-I303 HydrophobicContact CD1-CD1 4.44Å; Y300-I303 HydrophobicContact CD2-CB 4.19Å; Y300-I303 HydrophobicContact CE1-CB 4.01Å; Y300-I303 HydrophobicContact CE1-CD1 3.91Å; Y300-I303 HydrophobicContact CE1-CG1 4.11Å; Y300-I303 HydrophobicContact CE2-CB 3.85Å; Y300-I303 HydrophobicContact CG-CB 4.41Å; Y300-I303 WeakPolarHBondContact O-CB 3.31Å; Y300-I303 WeakPolarHBondContact O-CG2 3.37Å; Y300-I303 PolarHBondContact O-N 2.92Å; Y300-I303 VanDerWaalsContact O-N 3.12Å; Y300-K307 PolarHBondContact OH-NZ 3.19Å
301	P	79.4	Confident	88.2	Confident	87 Å²	87	55.1 Å²	55.1	57%	0.565	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	131	178	-26	35.2	0	0	0	112
302	G	76.8	Confident	87.9	Confident	26 Å²	26	53.5 Å²	53.5	27%	0.268	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	-1.7	-176.5	0	0	0	0	0	116.1	F266 Y300 T304	F266-G302 WeakPolarHBondContact O-CA 3.39Å; F266-G302 PolarHBondContact O-N 3.49Å; Y300-G302 PolarHBondContact O-N 3.39Å; G302-T304 PolarHBondContact O-N 2.77Å
303	I	83.9	Confident	87.3	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	30%	0.301	C	S	.	.			trans	-63.8	127.9	164.8	-168	175.1	0	0	0	110.1	I297 F299 Y300 K307 W308	I297-I303 HydrophobicContact CD1-CD1 3.5Å; I297-I303 VanDerWaalsContact CD1-CD1 3.5Å; I297-I303 HydrophobicContact CG1-CD1 3.93Å; F299-I303 HydrophobicContact CD2-CG2 3.63Å; F299-I303 HydrophobicContact CE2-CG2 3.78Å; Y300-I303 HydrophobicContact CD1-CB 4.33Å; Y300-I303 HydrophobicContact CD1-CD1 4.44Å; Y300-I303 HydrophobicContact CD2-CB 4.19Å; Y300-I303 HydrophobicContact CE1-CB 4.01Å; Y300-I303 HydrophobicContact CE1-CD1 3.91Å; Y300-I303 HydrophobicContact CE1-CG1 4.11Å; Y300-I303 HydrophobicContact CE2-CB 3.85Å; Y300-I303 HydrophobicContact CG-CB 4.41Å; Y300-I303 WeakPolarHBondContact O-CB 3.31Å; Y300-I303 WeakPolarHBondContact O-CG2 3.37Å; Y300-I303 PolarHBondContact O-N 2.92Å; Y300-I303 VanDerWaalsContact O-N 3.12Å; I303-K307 HydrophobicContact CG1-CB 4.3Å; I303-K307 HydrophobicContact CG1-CD 4.32Å; I303-K307 HydrophobicContact CG1-CG 4.43Å; I303-W308 HydrophobicContact CD1-CB 3.97Å; I303-W308 HydrophobicContact CG1-CB 4.47Å
304	T	86.3	Confident	86.6	Confident	71 Å²	71	61.4 Å²	61.4	44%	0.436	32%	0.321	S	S	.	.			trans	-72.4	147.7	174.4	67.7	0	0	0	0	110.5	G302 Q306 K307 W308	G302-T304 PolarHBondContact O-N 2.77Å; T304-Q306 PolarHBondContact O-N 2.95Å; T304-K307 PolarHBondContact O-N 2.73Å; T304-K307 VanDerWaalsContact O-N 3.16Å; T304-K307 VanDerWaalsContact OG1-CB 3.28Å; T304-K307 WeakPolarHBondContact OG1-CB 3.27Å; T304-K307 PolarHBondContact OG1-N 2.77Å; T304-W308 PolarHBondContact O-N 2.87Å; T304-W308 VanDerWaalsContact O-N 3.09Å
305	L	85.8	Confident	86.5	Confident	35 Å²	35	62.4 Å²	62.4	18%	0.183	33%	0.327	C	S	.	.	H	α-helix	trans	-57.1	-41.3	176.2	-176.6	60.7	0	0	0	111.6	V110 V168 F261 L264 K307 W308 Q309	V110-L305 HydrophobicContact CG2-CD2 4.35Å; V168-L305 HydrophobicContact CG1-CD1 4.13Å; V168-L305 HydrophobicContact CG2-CD1 4.27Å; F261-L305 HydrophobicContact CE1-CD2 4.27Å; L264-L305 HydrophobicContact CD1-CB 4.43Å; L264-L305 HydrophobicContact CD1-CD1 4.41Å; L305-K307 PolarHBondContact O-N 2.91Å; L305-W308 HydrophobicContact CD1-CE3 4.01Å; L305-W308 PolarHBondContact O-N 3.47Å; L305-Q309 HydrophobicContact CD1-CG 4.23Å; L305-Q309 HydrophobicContact CG-CG 4.28Å; L305-Q309 VanDerWaalsContact O-CG 3.32Å; L305-Q309 WeakPolarHBondContact O-CG 3.43Å; L305-Q309 PolarHBondContact O-N 2.87Å
306	Q	87.6	Confident	86.5	Confident	128 Å²	128	61.8 Å²	61.8	60%	0.598	32%	0.32	S	S	*	.	H	α-helix	trans	-55.2	-51.8	175.5	179.1	-177	-2.4	0	0	111.7	T304 W308 Q309 E310	T304-Q306 PolarHBondContact O-N 2.95Å; Q306-W308 VanDerWaalsContact C-N 3.27Å; Q306-W308 PolarHBondContact O-N 3.13Å; Q306-Q309 PolarHBondContact O-N 3.48Å; Q306-Q309 VanDerWaalsContact O-N 3.1Å; Q306-E310 HydrophobicContact CG-CG 4.36Å; Q306-E310 VanDerWaalsContact CG-OE1 3.29Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.1Å; Q306-E310 PolarHBondContact NE2-OE1 3.17Å; Q306-E310 WeakPolarHBondContact O-CG 3.27Å; Q306-E310 PolarHBondContact O-N 3.33Å
307	K	89.2	Confident	86.7	Confident	93 Å²	93	63.5 Å²	63.5	40%	0.404	33%	0.33	S	S	.	.	H	α-helix	trans	-61	-38.4	-179.3	-174.7	177	-178.4	-174.5	0	111.7	I297 Y300 I303 T304 L305 N311	I297-K307 HydrophobicContact CD1-CG 4.23Å; Y300-K307 PolarHBondContact OH-NZ 3.19Å; I303-K307 HydrophobicContact CG1-CB 4.3Å; I303-K307 HydrophobicContact CG1-CD 4.32Å; I303-K307 HydrophobicContact CG1-CG 4.43Å; T304-K307 PolarHBondContact O-N 2.73Å; T304-K307 VanDerWaalsContact O-N 3.16Å; T304-K307 VanDerWaalsContact OG1-CB 3.28Å; T304-K307 WeakPolarHBondContact OG1-CB 3.27Å; T304-K307 PolarHBondContact OG1-N 2.77Å; L305-K307 PolarHBondContact O-N 2.91Å; K307-N311 PolarHBondContact O-ND2 3.35Å
308	W	90.1	Very high	87	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-66.7	-41.8	174.8	-178.7	82.8	0	0	0	112	V168 A229 L231 S293 S296 I303 T304 L305 Q306	V168-W308 HydrophobicContact CB-CZ3 4.47Å; V168-W308 HydrophobicContact CG1-CZ3 4Å; A229-W308 HydrophobicContact CB-CH2 3.98Å; A229-W308 HydrophobicContact CB-CZ2 3.86Å; L231-W308 HydrophobicContact CB-CD2 4.45Å; L231-W308 HydrophobicContact CB-CH2 3.85Å; L231-W308 HydrophobicContact CB-CZ2 3.66Å; L231-W308 HydrophobicContact CB-CZ3 4.3Å; L231-W308 HydrophobicContact CD2-CD2 4.47Å; S293-W308 PolarHBondContact OG-NE1 3.49Å; S296-W308 PolarHBondContact OG-O 3.04Å; I303-W308 HydrophobicContact CD1-CB 3.97Å; I303-W308 HydrophobicContact CG1-CB 4.47Å; T304-W308 PolarHBondContact O-N 2.87Å; T304-W308 VanDerWaalsContact O-N 3.09Å; L305-W308 HydrophobicContact CD1-CE3 4.01Å; L305-W308 PolarHBondContact O-N 3.47Å; Q306-W308 VanDerWaalsContact C-N 3.27Å; Q306-W308 PolarHBondContact O-N 3.13Å
309	Q	88.6	Confident	87.3	Confident	57 Å²	57	57.4 Å²	57.4	27%	0.266	29%	0.294	S	S	.	.	H	α-helix	trans	-68.2	-42.4	179.7	-70.6	179.7	-47.3	0	0	112.5	L305 Q306 N311 T312	L305-Q309 HydrophobicContact CD1-CG 4.23Å; L305-Q309 HydrophobicContact CG-CG 4.28Å; L305-Q309 VanDerWaalsContact O-CG 3.32Å; L305-Q309 WeakPolarHBondContact O-CG 3.43Å; L305-Q309 PolarHBondContact O-N 2.87Å; Q306-Q309 PolarHBondContact O-N 3.48Å; Q306-Q309 VanDerWaalsContact O-N 3.1Å; Q309-N311 PolarHBondContact O-N 2.77Å; Q309-N311 VanDerWaalsContact O-N 3.14Å; Q309-T312 VanDerWaalsContact O-CB 3.3Å; Q309-T312 WeakPolarHBondContact O-CB 3.39Å; Q309-T312 PolarHBondContact O-N 3.37Å; Q309-T312 PolarHBondContact O-OG1 3.06Å
310	E	88.7	Confident	87.8	Confident	120 Å²	120	55.8 Å²	55.8	56%	0.561	29%	0.288	S	S	*	.	H	α-helix	trans	-57.2	-30.1	179.9	-75.2	171.9	178.1	0	0	113.2	Q306	Q306-E310 HydrophobicContact CG-CG 4.36Å; Q306-E310 VanDerWaalsContact CG-OE1 3.29Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.1Å; Q306-E310 PolarHBondContact NE2-OE1 3.17Å; Q306-E310 WeakPolarHBondContact O-CG 3.27Å; Q306-E310 PolarHBondContact O-N 3.33Å
311	N	88.8	Confident	88.4	Confident	48 Å²	48	52.1 Å²	52.1	26%	0.257	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	1.1	-178.2	-74.2	-84.6	0	0	0	114.6	I297 K307 Q309 K313 N314 N315	I297-N311 HydrophobicContact CB-CB 4.36Å; I297-N311 HydrophobicContact CD1-CB 4.21Å; I297-N311 HydrophobicContact CG1-CB 3.97Å; I297-N311 HydrophobicContact CG2-CB 3.69Å; K307-N311 PolarHBondContact O-ND2 3.35Å; Q309-N311 PolarHBondContact O-N 2.77Å; Q309-N311 VanDerWaalsContact O-N 3.14Å; N311-K313 VanDerWaalsContact C-N 3.3Å; N311-K313 PolarHBondContact O-N 3.28Å; N311-N314 PolarHBondContact O-N 2.97Å; N311-N315 PolarHBondContact O-ND2 2.89Å
312	T	86.3	Confident	89.3	Confident	3 Å²	3	50 Å²	50	2%	0.018	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-61.2	-39.5	-179.6	-62.1	0	0	0	0	111.7	N170 I172 A229 S296 Q309 N314 N315 L316	N170-T312 HydrophobicContact CB-CG2 4.01Å; N170-T312 PolarHBondContact ND2-OG1 2.89Å; I172-T312 HydrophobicContact CD1-CG2 4.36Å; I172-T312 HydrophobicContact CG1-CG2 4.09Å; A229-T312 HydrophobicContact CB-CG2 3.67Å; S296-T312 PolarHBondContact OG-N 3.33Å; Q309-T312 VanDerWaalsContact O-CB 3.3Å; Q309-T312 WeakPolarHBondContact O-CB 3.39Å; Q309-T312 PolarHBondContact O-N 3.37Å; Q309-T312 PolarHBondContact O-OG1 3.06Å; T312-N314 PolarHBondContact O-N 2.89Å; T312-N314 VanDerWaalsContact O-N 3.14Å; T312-N315 CarbonylContact O-C 3.57Å; T312-N315 PolarHBondContact O-N 3.24Å; T312-N315 VanDerWaalsContact O-N 3.15Å; T312-L316 HydrophobicContact CG2-CD2 3.87Å; T312-L316 WeakPolarHBondContact O-CD2 3.49Å
313	K	81.3	Confident	90.1	Very high	134 Å²	134	49.3 Å²	49.3	58%	0.583	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-56.4	-34.2	-176.8	-67.2	-177.2	179.2	179.7	0	112.5	Y94 N311	Y94-K313 PolarHBondContact OH-O 2.8Å; N311-K313 VanDerWaalsContact C-N 3.3Å; N311-K313 PolarHBondContact O-N 3.28Å
314	N	78.5	Confident	90.7	Very high	125 Å²	125	54 Å²	54	67%	0.668	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-87.7	-9.1	-174.9	-64.7	-28.4	0	0	0	114.1	N311 T312	N311-N314 PolarHBondContact O-N 2.97Å; T312-N314 PolarHBondContact O-N 2.89Å; T312-N314 VanDerWaalsContact O-N 3.14Å
315	N	89.9	Confident	91.2	Very high	63 Å²	63	51.1 Å²	51.1	34%	0.337	26%	0.256	S	S	.	.	S	Bend	trans	-144.7	66.8	-169.4	-55	-82.9	0	0	0	109.9	G295 S296 N311 T312	G295-N315 CarbonylContact C-O 3.48Å; G295-N315 WeakPolarHBondContact CA-O 3.26Å; S296-N315 PolarHBondContact N-O 3.38Å; S296-N315 WeakPolarHBondContact O-CB 3.48Å; N311-N315 PolarHBondContact O-ND2 2.89Å; T312-N315 CarbonylContact O-C 3.57Å; T312-N315 PolarHBondContact O-N 3.24Å; T312-N315 VanDerWaalsContact O-N 3.15Å
316	L	93.7	Very high	91.6	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.021	25%	0.248	C	C	.	.			trans	-83.3	138	-179.5	-61.9	174.8	0	0	0	110	L59 V61 Y94 I172 Y173 T312	L59-L316 HydrophobicContact CD1-CD1 4.08Å; V61-L316 HydrophobicContact CG2-CB 4.11Å; V61-L316 WeakPolarHBondContact CG2-O 3.29Å; Y94-L316 HydrophobicContact CE2-CD1 4.27Å; I172-L316 HydrophobicContact CB-CD2 4.14Å; I172-L316 HydrophobicContact CG1-CD2 3.74Å; Y173-L316 HydrophobicContact CD2-CD1 3.78Å; Y173-L316 HydrophobicContact CE2-CD1 3.73Å; T312-L316 HydrophobicContact CG2-CD2 3.87Å; T312-L316 WeakPolarHBondContact O-CD2 3.49Å
317	V	95.9	Very high	92	Very high	45 Å²	45	45.3 Å²	45.3	27%	0.273	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	166.5	173.6	-59.9	0	0	0	0	110.7	A227 G228 H294 G295 I319	A227-V317 WeakPolarHBondContact CA-O 3.31Å; G228-V317 PolarHBondContact N-O 3.45Å; G228-V317 PolarHBondContact O-N 3.33Å; H294-V317 VanDerWaalsContact C-CG2 3.46Å; H294-V317 HydrophobicContact CB-CG2 3.92Å; G295-V317 VanDerWaalsContact N-CG2 3.35Å; V317-I319 HydrophobicContact CG2-CG2 4.11Å; V317-I319 PolarHBondContact O-N 2.8Å
318	A	96.4	Very high	92.2	Very high	15 Å²	15	48.3 Å²	48.3	12%	0.124	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	108.7	171.1	0	0	0	0	0	110.4	V61 I225 R321	V61-A318 HydrophobicContact CG1-CB 4.08Å; I225-A318 HydrophobicContact CG2-CB 3.44Å; I225-A318 VanDerWaalsContact CG2-CB 3.44Å; A318-R321 HydrophobicContact CB-CG 4.47Å; A318-R321 VanDerWaalsContact CB-CZ 3.47Å; A318-R321 PolarHBondContact O-NH1 2.79Å
319	I	95.1	Very high	92.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-14.7	176.7	56.6	165.4	0	0	0	112.2	T126 T127 R169 N170 F171 D226 V317	T126-I319 VanDerWaalsContact O-O 3.05Å; T127-I319 CarbonylContact C-O 3.5Å; T127-I319 VanDerWaalsContact CA-O 3.27Å; T127-I319 WeakPolarHBondContact CA-O 3.39Å; R169-I319 HydrophobicContact CG-CD1 3.99Å; R169-I319 VanDerWaalsContact CZ-O 3.23Å; R169-I319 PolarHBondContact NH1-O 3.09Å; R169-I319 PolarHBondContact NH2-O 3.24Å; N170-I319 WeakPolarHBondContact O-CD1 3.32Å; F171-I319 HydrophobicContact CB-CD1 4.07Å; F171-I319 HydrophobicContact CD2-CD1 4.27Å; D226-I319 HydrophobicContact CB-CG1 4.12Å; D226-I319 WeakPolarHBondContact O-CG1 3.38Å; D226-I319 PolarHBondContact O-N 3.22Å; V317-I319 HydrophobicContact CG2-CG2 4.11Å; V317-I319 PolarHBondContact O-N 2.8Å
320	D	96.9	Very high	92.8	Very high	15 Å²	15	46.7 Å²	46.7	8%	0.08	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	161.2	160	-158.1	8.6	0	0	0	110.1	T127 S128 N129 S130 I225 D226	T127-D320 WeakPolarHBondContact O-CA 3.36Å; S128-D320 VanDerWaalsContact C-OD1 3.3Å; S128-D320 WeakPolarHBondContact CA-OD1 3.35Å; N129-D320 PolarHBondContact N-OD1 2.96Å; S130-D320 VanDerWaalsContact CB-OD2 3.24Å; S130-D320 WeakPolarHBondContact CB-OD2 3.36Å; S130-D320 PolarHBondContact N-OD1 3.39Å; S130-D320 VanDerWaalsContact N-OD1 3.08Å; S130-D320 PolarHBondContact N-OD2 3.45Å; S130-D320 PolarHBondContact OG-OD2 3.08Å; I225-D320 WeakPolarHBondContact CG2-O 3.35Å; D226-D320 HydrophobicContact CB-CB 3.98Å; D226-D320 PolarHBondContact N-O 2.98Å; D226-D320 PolarHBondContact O-N 3.3Å
321	R	97.4	Very high	93	Very high	25 Å²	25	43.4 Å²	43.4	9%	0.094	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	143.1	-178.5	-65.3	168.1	176.2	74.7	-8.5	109	W67 D74 T127 S130 I131 I222 A318	W67-R321 VanDerWaalsContact CZ3-NE 3.3Å; D74-R321 IonicContact OD1-NE 2.77Å; D74-R321 PolarHBondContact OD1-NE 3.32Å; D74-R321 IonicContact OD1-NH2 2.77Å; D74-R321 IonicContact OD2-CZ 3.63Å; D74-R321 IonicContact OD2-NE 3.51Å; D74-R321 IonicContact OD2-NH2 3.33Å; D74-R321 PolarHBondContact OD2-NH2 3.35Å; T127-R321 PolarHBondContact O-NH1 3.16Å; S130-R321 WeakPolarHBondContact CB-O 3.44Å; I131-R321 HydrophobicContact CB-CB 4.41Å; I131-R321 WeakPolarHBondContact CB-O 3.49Å; I131-R321 HydrophobicContact CG2-CB 4.02Å; I131-R321 PolarHBondContact N-O 2.78Å; I222-R321 HydrophobicContact CD1-CG 4.33Å; I222-R321 HydrophobicContact CG2-CB 4.38Å; A318-R321 HydrophobicContact CB-CG 4.47Å; A318-R321 VanDerWaalsContact CB-CZ 3.47Å; A318-R321 PolarHBondContact O-NH1 2.79Å
322	S	97.3	Very high	93.2	Very high	43 Å²	43	43.2 Å²	43.2	30%	0.301	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148.6	168.9	-64.6	0	0	0	0	109.6	S130 T223 S224	S130-S322 VanDerWaalsContact CB-OG 3.3Å; S130-S322 WeakPolarHBondContact CB-OG 3.29Å; T223-S322 PolarHBondContact N-O 2.71Å; S224-S322 PolarHBondContact N-O 2.96Å; S224-S322 VanDerWaalsContact N-O 3.12Å; S224-S322 PolarHBondContact O-N 3.17Å
323	G	95.5	Very high	93.4	Very high	10 Å²	10	50.2 Å²	50.2	10%	0.103	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	179.2	-173	0	0	0	0	0	113	V221	V221-G323 CarbonylContact O-C 3.5Å; V221-G323 WeakPolarHBondContact O-CA 3.43Å
324	F	95.2	Very high	93.9	Very high	99 Å²	99	46 Å²	46	43%	0.434	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	156	179.6	-61.2	-75.8	0	0	0	110.7	H220 V221 T223 Y328 F329	H220-F324 CarbonylContact C-O 3.55Å; H220-F324 VanDerWaalsContact CA-O 3.24Å; H220-F324 WeakPolarHBondContact CA-O 3.33Å; V221-F324 PolarHBondContact N-O 2.99Å; V221-F324 PolarHBondContact O-N 2.91Å; V221-F324 VanDerWaalsContact O-N 3.07Å; T223-F324 HydrophobicContact CG2-CD2 3.92Å; T223-F324 HydrophobicContact CG2-CE2 4.38Å; F324-Y328 HydrophobicContact CB-CD1 4.49Å; F324-F329 HydrophobicContact CB-CE2 4Å; F324-F329 HydrophobicContact CB-CZ 4.17Å; F324-F329 HydrophobicContact CD2-CZ 4.31Å
325	P	96.7	Very high	94.5	Very high	11 Å²	11	40.3 Å²	40.3	7%	0.071	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	142.6	171.9	-29.1	36.4	0	0	0	113.2	S136 F137 T219 Q327 Y328	S136-P325 WeakPolarHBondContact OG-CG 3.24Å; F137-P325 HydrophobicContact CE2-CB 3.84Å; F137-P325 HydrophobicContact CE2-CG 3.97Å; F137-P325 HydrophobicContact CZ-CB 4.19Å; T219-P325 WeakPolarHBondContact O-CA 3.28Å; P325-Q327 PolarHBondContact O-N 3.07Å; P325-Q327 VanDerWaalsContact O-N 3.13Å; P325-Y328 VanDerWaalsContact O-CB 3.24Å; P325-Y328 WeakPolarHBondContact O-CB 3.4Å; P325-Y328 PolarHBondContact O-N 2.87Å
326	I	95.4	Very high	94.5	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-60.5	-30.4	-171.3	-155.3	168.5	0	0	0	113.7	V78 F187 Y217 T219 V221 Y328 F329 V350 I354	V78-I326 HydrophobicContact CG2-CD1 4.31Å; F187-I326 HydrophobicContact CE2-CD1 3.57Å; F187-I326 HydrophobicContact CE2-CG1 3.81Å; F187-I326 HydrophobicContact CZ-CD1 4.24Å; F187-I326 HydrophobicContact CZ-CG1 3.96Å; Y217-I326 HydrophobicContact CG-CD1 4.46Å; T219-I326 PolarHBondContact O-N 2.76Å; V221-I326 HydrophobicContact CG2-CB 4.26Å; V221-I326 HydrophobicContact CG2-CG1 3.76Å; I326-Y328 PolarHBondContact O-N 3.46Å; I326-F329 PolarHBondContact O-N 3.09Å; I326-V350 HydrophobicContact CG2-CG1 3.59Å; I326-I354 HydrophobicContact CG2-CD1 3.61Å
327	Q	95.2	Very high	94.1	Very high	41 Å²	41	45.7 Å²	45.7	19%	0.192	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-64.1	-20.9	179.3	71	-84.6	12.8	0	0	113	P325 F329 I330 A347	P325-Q327 PolarHBondContact O-N 3.07Å; P325-Q327 VanDerWaalsContact O-N 3.13Å; Q327-F329 PolarHBondContact O-N 2.94Å; Q327-I330 PolarHBondContact O-N 3.28Å; Q327-A347 HydrophobicContact CB-CB 4.39Å; Q327-A347 WeakPolarHBondContact CB-O 3.37Å
328	Y	94.1	Very high	93.7	Very high	155 Å²	155	44 Å²	44	61%	0.608	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-64.6	-30.3	178.2	-170.5	-99.3	0	0	0	112.3	F324 P325 I326 I330 N331	F324-Y328 HydrophobicContact CB-CD1 4.49Å; P325-Y328 VanDerWaalsContact O-CB 3.24Å; P325-Y328 WeakPolarHBondContact O-CB 3.4Å; P325-Y328 PolarHBondContact O-N 2.87Å; I326-Y328 PolarHBondContact O-N 3.46Å; Y328-I330 VanDerWaalsContact C-N 3.28Å; Y328-I330 PolarHBondContact O-N 3.31Å; Y328-N331 PolarHBondContact O-ND2 3.33Å; Y328-N331 VanDerWaalsContact O-ND2 3.08Å
329	F	94.8	Very high	93.3	Very high	17 Å²	17	43.3 Å²	43.3	8%	0.075	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-84.6	-2.1	179.7	-56.6	-84.2	0	0	0	113.1	F181 V221 T223 F324 I326 Q327 T334	F181-F329 AromaticContact CE1-CD1 3.88Å; F181-F329 HydrophobicContact CE1-CD1 3.88Å; F181-F329 AromaticContact CE1-CE1 3.55Å; F181-F329 HydrophobicContact CE1-CE1 3.55Å; F181-F329 HydrophobicContact CE2-CD1 4.48Å; F181-F329 AromaticContact CZ-CD1 3.49Å; F181-F329 HydrophobicContact CZ-CD1 3.49Å; F181-F329 VanDerWaalsContact CZ-CD1 3.49Å; F181-F329 AromaticContact CZ-CE1 3.55Å; F181-F329 HydrophobicContact CZ-CE1 3.55Å; F181-F329 HydrophobicContact CZ-CG 4.41Å; V221-F329 HydrophobicContact CB-CD2 3.89Å; V221-F329 HydrophobicContact CB-CE2 3.44Å; V221-F329 VanDerWaalsContact CB-CE2 3.44Å; V221-F329 HydrophobicContact CB-CZ 3.91Å; V221-F329 HydrophobicContact CG1-CE2 4.25Å; V221-F329 HydrophobicContact CG1-CZ 4.31Å; V221-F329 HydrophobicContact CG2-CD2 3.51Å; V221-F329 HydrophobicContact CG2-CE2 3.6Å; V221-F329 HydrophobicContact CG2-CG 4.33Å; V221-F329 HydrophobicContact CG2-CZ 4.45Å; T223-F329 HydrophobicContact CG2-CE1 4.07Å; T223-F329 HydrophobicContact CG2-CZ 3.58Å; F324-F329 HydrophobicContact CB-CE2 4Å; F324-F329 HydrophobicContact CB-CZ 4.17Å; F324-F329 HydrophobicContact CD2-CZ 4.31Å; I326-F329 PolarHBondContact O-N 3.09Å; Q327-F329 PolarHBondContact O-N 2.94Å; F329-T334 PolarHBondContact O-OG1 3.43Å
330	I	95.4	Very high	93	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.031	26%	0.258	C	S	.	.			trans	-101.8	86.6	176	-54.2	175.3	0	0	0	108.1	F187 V191 M213 Q327 Y328 F335 V343 V346 A347 V350	F187-I330 HydrophobicContact CZ-CD1 4.45Å; F187-I330 HydrophobicContact CZ-CG1 4.25Å; V191-I330 HydrophobicContact CG1-CG2 4.04Å; V191-I330 HydrophobicContact CG2-CD1 4.08Å; V191-I330 HydrophobicContact CG2-CG1 4.23Å; M213-I330 HydrophobicContact SD-CD1 4.39Å; Q327-I330 PolarHBondContact O-N 3.28Å; Y328-I330 VanDerWaalsContact C-N 3.28Å; Y328-I330 PolarHBondContact O-N 3.31Å; I330-F335 HydrophobicContact CG1-CE2 4.49Å; I330-F335 HydrophobicContact CG2-CD2 4.44Å; I330-F335 HydrophobicContact CG2-CE2 4.36Å; I330-V343 HydrophobicContact CG2-CG1 3.93Å; I330-V346 HydrophobicContact CD1-CG1 4.45Å; I330-V346 HydrophobicContact CG2-CB 4.33Å; I330-V346 HydrophobicContact CG2-CG1 4.15Å; I330-A347 HydrophobicContact CB-CB 4.09Å; I330-A347 HydrophobicContact CG2-CB 4.1Å; I330-V350 HydrophobicContact CD1-CB 4.37Å; I330-V350 HydrophobicContact CD1-CG1 4.44Å; I330-V350 HydrophobicContact CD1-CG2 4.04Å
331	N	93.8	Very high	92.6	Very high	52 Å²	52	51.5 Å²	51.5	28%	0.278	27%	0.27	S	S	.	.	S	Bend	trans	-142.4	171.6	-177.3	64.3	63.7	0	0	0	111.2	Y328 N333 T334 F335	Y328-N331 PolarHBondContact O-ND2 3.33Å; Y328-N331 VanDerWaalsContact O-ND2 3.08Å; N331-N333 PolarHBondContact O-N 2.93Å; N331-N333 WeakPolarHBondContact OD1-CA 3.44Å; N331-N333 WeakPolarHBondContact OD1-CB 3.44Å; N331-N333 PolarHBondContact OD1-N 3.46Å; N331-T334 PolarHBondContact N-OG1 3.27Å; N331-T334 PolarHBondContact O-N 3.2Å; N331-T334 PolarHBondContact O-OG1 3.37Å; N331-T334 VanDerWaalsContact O-OG1 3.12Å; N331-T334 PolarHBondContact OD1-N 2.92Å; N331-T334 VanDerWaalsContact OD1-N 3.14Å; N331-T334 PolarHBondContact OD1-OG1 3.3Å; N331-F335 PolarHBondContact O-N 2.78Å
332	S	91.9	Very high	92.2	Very high	43 Å²	43	50.7 Å²	50.7	30%	0.301	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.4	-174.7	-64.4	0	0	0	0	114.3	Q340	S332-Q340 WeakPolarHBondContact OG-CB 3.25Å; S332-Q340 WeakPolarHBondContact OG-CG 3.22Å
333	N	90.4	Very high	92.1	Very high	150 Å²	150	48.8 Å²	48.8	80%	0.802	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-39.3	176.2	-60.1	-20.5	0	0	0	110.9	N331	N331-N333 PolarHBondContact O-N 2.93Å; N331-N333 WeakPolarHBondContact OD1-CA 3.44Å; N331-N333 WeakPolarHBondContact OD1-CB 3.44Å; N331-N333 PolarHBondContact OD1-N 3.46Å
334	T	91.5	Very high	92	Very high	47 Å²	47	50.4 Å²	50.4	29%	0.288	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-22.2	178.8	53	0	0	0	0	113.3	L183 F329 N331 P336	L183-T334 HydrophobicContact CD1-CG2 4.31Å; F329-T334 PolarHBondContact O-OG1 3.43Å; N331-T334 PolarHBondContact N-OG1 3.27Å; N331-T334 PolarHBondContact O-N 3.2Å; N331-T334 PolarHBondContact O-OG1 3.37Å; N331-T334 VanDerWaalsContact O-OG1 3.12Å; N331-T334 PolarHBondContact OD1-N 2.92Å; N331-T334 VanDerWaalsContact OD1-N 3.14Å; N331-T334 PolarHBondContact OD1-OG1 3.3Å; T334-P336 VanDerWaalsContact C-CD 3.45Å; T334-P336 WeakPolarHBondContact O-CD 3.42Å
335	F	92.3	Very high	92	Very high	5 Å²	5	51.5 Å²	51.5	2%	0.022	28%	0.276	C	S	.	.			trans	-125.6	66.1	177.7	-65.8	-90	0	0	0	112.5	L183 F187 V188 V191 I330 N331 D337 L338 V343	L183-F335 HydrophobicContact CD1-CD2 4.44Å; L183-F335 HydrophobicContact CD1-CE2 3.49Å; L183-F335 VanDerWaalsContact CD1-CE2 3.49Å; L183-F335 HydrophobicContact CD1-CZ 3.56Å; F187-F335 HydrophobicContact CE1-CZ 4.42Å; V188-F335 HydrophobicContact CB-CE1 4.19Å; V188-F335 HydrophobicContact CG1-CE1 3.93Å; V188-F335 HydrophobicContact CG2-CE1 4.1Å; V188-F335 HydrophobicContact CG2-CZ 4.24Å; V191-F335 HydrophobicContact CB-CE1 3.65Å; V191-F335 HydrophobicContact CB-CZ 3.68Å; V191-F335 HydrophobicContact CG1-CD1 4.02Å; V191-F335 HydrophobicContact CG1-CD2 4.47Å; V191-F335 HydrophobicContact CG1-CE1 3.55Å; V191-F335 HydrophobicContact CG1-CE2 4.08Å; V191-F335 HydrophobicContact CG1-CG 4.46Å; V191-F335 HydrophobicContact CG1-CZ 3.62Å; V191-F335 HydrophobicContact CG2-CE1 4.13Å; V191-F335 HydrophobicContact CG2-CE2 4.34Å; V191-F335 HydrophobicContact CG2-CZ 3.62Å; I330-F335 HydrophobicContact CG1-CE2 4.49Å; I330-F335 HydrophobicContact CG2-CD2 4.44Å; I330-F335 HydrophobicContact CG2-CE2 4.36Å; N331-F335 PolarHBondContact O-N 2.78Å; F335-D337 PolarHBondContact O-N 2.96Å; F335-L338 HydrophobicContact CB-CB 4.42Å; F335-L338 HydrophobicContact CB-CD1 4.2Å; F335-L338 HydrophobicContact CB-CG 4.48Å; F335-L338 HydrophobicContact CD1-CD1 4.08Å; F335-L338 HydrophobicContact CG-CD1 4.42Å; F335-L338 PolarHBondContact O-N 3.23Å; F335-V343 HydrophobicContact CB-CG2 4.02Å
336	P	89.2	Confident	92	Very high	81 Å²	81	51 Å²	51	53%	0.526	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.1	-179.7	28.8	-36	0	0	0	113.2	T334 L338 W632	T334-P336 VanDerWaalsContact C-CD 3.45Å; T334-P336 WeakPolarHBondContact O-CD 3.42Å; P336-L338 PolarHBondContact O-N 3.36Å; P336-W632 WeakPolarHBondContact O-CH2 3.31Å
337	D	86.3	Confident	92.1	Very high	99 Å²	99	51.7 Å²	51.7	53%	0.529	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.2	177.8	-60.5	-26.3	0	0	0	113.6	K192 F335 W641	K192-D337 IonicContact NZ-OD2 2.74Å; F335-D337 PolarHBondContact O-N 2.96Å; D337-W641 WeakPolarHBondContact O-CB 3.49Å
338	L	87.6	Confident	92.2	Very high	10 Å²	10	58.4 Å²	58.4	5%	0.052	30%	0.302	C	S	.	.	S	Bend	trans	-117.6	143.8	-177.5	-66	-179.4	0	0	0	110.7	K192 A195 F335 P336 Q340 V343 W641	K192-L338 HydrophobicContact CG-CD1 4.39Å; A195-L338 HydrophobicContact CB-CD1 4.11Å; F335-L338 HydrophobicContact CB-CB 4.42Å; F335-L338 HydrophobicContact CB-CD1 4.2Å; F335-L338 HydrophobicContact CB-CG 4.48Å; F335-L338 HydrophobicContact CD1-CD1 4.08Å; F335-L338 HydrophobicContact CG-CD1 4.42Å; F335-L338 PolarHBondContact O-N 3.23Å; P336-L338 PolarHBondContact O-N 3.36Å; L338-Q340 PolarHBondContact O-N 3.4Å; L338-V343 HydrophobicContact CB-CG2 3.51Å; L338-V343 HydrophobicContact CD1-CG2 4.26Å; L338-W641 VanDerWaalsContact CD2-CD1 3.43Å; L338-W641 HydrophobicContact CD2-CG 4.33Å
339	P	87.6	Confident	92.3	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.			trans	-60.5	135.9	174.2	-18.5	29	0	0	0	111.1	P341 T342 V343 V624 W632 W641	P339-P341 VanDerWaalsContact C-CD 3.5Å; P339-T342 WeakPolarHBondContact O-CA 3.13Å; P339-T342 VanDerWaalsContact O-CB 3.31Å; P339-T342 WeakPolarHBondContact O-CB 3.24Å; P339-T342 PolarHBondContact O-N 2.77Å; P339-V343 PolarHBondContact O-N 3.02Å; P339-V624 HydrophobicContact CB-CB 4.31Å; P339-V624 HydrophobicContact CB-CG1 4.02Å; P339-V624 HydrophobicContact CG-CB 4.4Å; P339-W632 HydrophobicContact CB-CB 4.28Å; P339-W632 HydrophobicContact CB-CD2 4.47Å; P339-W632 HydrophobicContact CB-CG 4Å; P339-W632 HydrophobicContact CG-CB 3.69Å; P339-W632 HydrophobicContact CG-CD2 4.06Å; P339-W632 HydrophobicContact CG-CE3 4.49Å; P339-W632 HydrophobicContact CG-CG 3.72Å; P339-W641 HydrophobicContact CG-CD2 3.76Å; P339-W641 HydrophobicContact CG-CE3 3.45Å; P339-W641 VanDerWaalsContact CG-CE3 3.45Å; P339-W641 HydrophobicContact CG-CG 4.43Å; P339-W641 HydrophobicContact CG-CH2 4.12Å; P339-W641 HydrophobicContact CG-CZ2 4.39Å; P339-W641 HydrophobicContact CG-CZ3 3.65Å
340	Q	88.3	Confident	92.4	Very high	134 Å²	134	51.2 Å²	51.2	63%	0.626	28%	0.276	S	S	*	.	H	α-helix	trans	-50.7	-44.2	-179.4	173.7	176.8	5.3	0	0	114	S332 L338 T342 V343 G344	S332-Q340 WeakPolarHBondContact OG-CB 3.25Å; S332-Q340 WeakPolarHBondContact OG-CG 3.22Å; L338-Q340 PolarHBondContact O-N 3.4Å; Q340-T342 VanDerWaalsContact C-N 3.26Å; Q340-T342 PolarHBondContact O-N 3.24Å; Q340-V343 PolarHBondContact O-N 2.88Å; Q340-G344 PolarHBondContact O-N 2.97Å
341	P	89.2	Confident	92.5	Very high	52 Å²	52	52.8 Å²	52.8	34%	0.338	29%	0.287	S	S	.	.	H	α-helix	trans	-62.8	-32.6	176.5	-23.4	34.3	0	0	0	113.4	P339 K345 V624 T626	P339-P341 VanDerWaalsContact C-CD 3.5Å; P341-K345 VanDerWaalsContact O-CG 3.31Å; P341-K345 WeakPolarHBondContact O-CG 3.06Å; P341-K345 PolarHBondContact O-N 3Å; P341-K345 VanDerWaalsContact O-N 3.13Å; P341-V624 HydrophobicContact CB-CG1 4.46Å; P341-V624 HydrophobicContact CG-CG1 4.19Å; P341-T626 HydrophobicContact CG-CG2 3.8Å
342	T	89.1	Confident	92.6	Very high	9 Å²	9	54.5 Å²	54.5	6%	0.055	30%	0.295	C	S	.	.	H	α-helix	trans	-70	-45.7	177.1	-55.9	0	0	0	0	110.2	A195 P339 Q340 G344 K345 V346	A195-T342 HydrophobicContact CB-CG2 3.85Å; P339-T342 WeakPolarHBondContact O-CA 3.13Å; P339-T342 VanDerWaalsContact O-CB 3.31Å; P339-T342 WeakPolarHBondContact O-CB 3.24Å; P339-T342 PolarHBondContact O-N 2.77Å; Q340-T342 VanDerWaalsContact C-N 3.26Å; Q340-T342 PolarHBondContact O-N 3.24Å; T342-G344 PolarHBondContact O-N 3.34Å; T342-K345 WeakPolarHBondContact O-CB 3.43Å; T342-K345 PolarHBondContact O-N 2.99Å; T342-K345 VanDerWaalsContact O-N 3.17Å; T342-V346 WeakPolarHBondContact O-CG2 3.41Å; T342-V346 PolarHBondContact O-N 2.9Å
343	V	94	Very high	92.8	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.018	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-45.7	177.2	-179.4	0	0	0	0	111.1	I330 F335 L338 P339 Q340 K345 V346 A347	I330-V343 HydrophobicContact CG2-CG1 3.93Å; F335-V343 HydrophobicContact CB-CG2 4.02Å; L338-V343 HydrophobicContact CB-CG2 3.51Å; L338-V343 HydrophobicContact CD1-CG2 4.26Å; P339-V343 PolarHBondContact O-N 3.02Å; Q340-V343 PolarHBondContact O-N 2.88Å; V343-K345 VanDerWaalsContact C-N 3.31Å; V343-K345 PolarHBondContact O-N 3.01Å; V343-V346 PolarHBondContact O-N 2.59Å; V343-V346 VanDerWaalsContact O-N 3.14Å; V343-A347 PolarHBondContact O-N 3.47Å
344	G	94.8	Very high	93.1	Very high	44 Å²	44	45.6 Å²	45.6	45%	0.454	24%	0.244	S	C	.	.	H	α-helix	trans	-60.5	-37.7	176.2	0	0	0	0	0	113.3	Q340 T342 R348	Q340-G344 PolarHBondContact O-N 2.97Å; T342-G344 PolarHBondContact O-N 3.34Å; G344-R348 WeakPolarHBondContact O-CB 3.4Å; G344-R348 PolarHBondContact O-N 3.4Å; G344-R348 VanDerWaalsContact O-N 3.09Å
345	K	95.4	Very high	93.2	Very high	121 Å²	121	46 Å²	46	53%	0.526	25%	0.245	S	C	.	.	H	α-helix	trans	-65.6	-43.1	173.3	-74.3	175.2	-176.9	-179.6	0	111.9	I198 P341 T342 V343 R348 T349	I198-K345 HydrophobicContact CD1-CB 4.18Å; I198-K345 HydrophobicContact CG2-CB 4.18Å; I198-K345 HydrophobicContact CG2-CD 3.94Å; P341-K345 VanDerWaalsContact O-CG 3.31Å; P341-K345 WeakPolarHBondContact O-CG 3.06Å; P341-K345 PolarHBondContact O-N 3Å; P341-K345 VanDerWaalsContact O-N 3.13Å; T342-K345 WeakPolarHBondContact O-CB 3.43Å; T342-K345 PolarHBondContact O-N 2.99Å; T342-K345 VanDerWaalsContact O-N 3.17Å; V343-K345 VanDerWaalsContact C-N 3.31Å; V343-K345 PolarHBondContact O-N 3.01Å; K345-R348 PolarHBondContact O-N 3.47Å; K345-T349 PolarHBondContact O-N 2.72Å; K345-T349 PolarHBondContact O-OG1 3Å; K345-T349 VanDerWaalsContact O-OG1 3.06Å
346	V	96.6	Very high	93.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-49.7	177.3	178.4	0	0	0	0	110.8	V191 I194 A195 I198 I330 T342 V343 R348 T349 V350	V191-V346 HydrophobicContact CG1-CG1 3.89Å; I194-V346 HydrophobicContact CB-CG1 4.13Å; I194-V346 HydrophobicContact CG2-CB 4.49Å; I194-V346 HydrophobicContact CG2-CG1 3.89Å; I194-V346 HydrophobicContact CG2-CG2 4.24Å; A195-V346 HydrophobicContact CB-CG2 3.75Å; I198-V346 HydrophobicContact CD1-CB 4.46Å; I198-V346 HydrophobicContact CD1-CG2 3.84Å; I330-V346 HydrophobicContact CD1-CG1 4.45Å; I330-V346 HydrophobicContact CG2-CB 4.33Å; I330-V346 HydrophobicContact CG2-CG1 4.15Å; T342-V346 WeakPolarHBondContact O-CG2 3.41Å; T342-V346 PolarHBondContact O-N 2.9Å; V343-V346 PolarHBondContact O-N 2.59Å; V343-V346 VanDerWaalsContact O-N 3.14Å; V346-R348 VanDerWaalsContact C-N 3.26Å; V346-R348 PolarHBondContact O-N 3.36Å; V346-T349 PolarHBondContact O-N 3.37Å; V346-T349 VanDerWaalsContact O-N 3.15Å; V346-V350 HydrophobicContact CG1-CG2 4.34Å; V346-V350 WeakPolarHBondContact O-CG2 3.4Å; V346-V350 PolarHBondContact O-N 2.95Å
347	A	97.3	Very high	93.5	Very high	16 Å²	16	44 Å²	44	13%	0.132	23%	0.227	C	C	.	.	H	α-helix	trans	-56	-42	177.7	0	0	0	0	0	111.9	Q327 I330 V343 S351	Q327-A347 HydrophobicContact CB-CB 4.39Å; Q327-A347 WeakPolarHBondContact CB-O 3.37Å; I330-A347 HydrophobicContact CB-CB 4.09Å; I330-A347 HydrophobicContact CG2-CB 4.1Å; V343-A347 PolarHBondContact O-N 3.47Å; A347-S351 WeakPolarHBondContact O-CB 3.28Å; A347-S351 PolarHBondContact O-N 3.31Å
348	R	96.8	Very high	93.9	Very high	182 Å²	182	39.4 Å²	39.4	69%	0.687	20%	0.202	S	C	*	.	H	α-helix	trans	-64.9	-46.3	175.7	-177.7	176.5	177.8	162	1.1	112.7	G344 K345 V346 V350 S351 M352	G344-R348 WeakPolarHBondContact O-CB 3.4Å; G344-R348 PolarHBondContact O-N 3.4Å; G344-R348 VanDerWaalsContact O-N 3.09Å; K345-R348 PolarHBondContact O-N 3.47Å; V346-R348 VanDerWaalsContact C-N 3.26Å; V346-R348 PolarHBondContact O-N 3.36Å; R348-V350 VanDerWaalsContact C-N 3.32Å; R348-V350 PolarHBondContact O-N 3.23Å; R348-S351 WeakPolarHBondContact O-CB 3.43Å; R348-S351 PolarHBondContact O-N 3.14Å; R348-M352 HydrophobicContact CG-SD 4.21Å; R348-M352 WeakPolarHBondContact O-CG 3.38Å; R348-M352 PolarHBondContact O-N 3.25Å
349	T	96.1	Very high	94.1	Very high	22 Å²	22	44 Å²	44	14%	0.135	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-40.2	179.4	-55.9	0	0	0	0	111.2	S210 K345 V346 M352 A353	S210-T349 VanDerWaalsContact OG-CG2 3.26Å; S210-T349 WeakPolarHBondContact OG-CG2 3.49Å; K345-T349 PolarHBondContact O-N 2.72Å; K345-T349 PolarHBondContact O-OG1 3Å; K345-T349 VanDerWaalsContact O-OG1 3.06Å; V346-T349 PolarHBondContact O-N 3.37Å; V346-T349 VanDerWaalsContact O-N 3.15Å; T349-M352 PolarHBondContact O-N 3.47Å; T349-A353 PolarHBondContact O-N 3.49Å
350	V	97.6	Very high	94.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-44.5	173.9	174.5	0	0	0	0	111.3	I194 M213 I326 I330 V346 R348 M352 A353 I354	I194-V350 HydrophobicContact CD1-CG2 4.05Å; M213-V350 HydrophobicContact SD-CG1 4.28Å; M213-V350 HydrophobicContact SD-CG2 3.86Å; I326-V350 HydrophobicContact CG2-CG1 3.59Å; I330-V350 HydrophobicContact CD1-CB 4.37Å; I330-V350 HydrophobicContact CD1-CG1 4.44Å; I330-V350 HydrophobicContact CD1-CG2 4.04Å; V346-V350 HydrophobicContact CG1-CG2 4.34Å; V346-V350 WeakPolarHBondContact O-CG2 3.4Å; V346-V350 PolarHBondContact O-N 2.95Å; R348-V350 VanDerWaalsContact C-N 3.32Å; R348-V350 PolarHBondContact O-N 3.23Å; V350-M352 VanDerWaalsContact C-N 3.32Å; V350-M352 PolarHBondContact O-N 2.89Å; V350-A353 WeakPolarHBondContact O-CB 3.48Å; V350-A353 PolarHBondContact O-N 3.07Å; V350-A353 VanDerWaalsContact O-N 3.11Å; V350-I354 HydrophobicContact CG1-CD1 4.3Å; V350-I354 WeakPolarHBondContact O-CG1 3.39Å; V350-I354 PolarHBondContact O-N 3.14Å
351	S	97.3	Very high	94.3	Very high	38 Å²	38	37.8 Å²	37.8	27%	0.266	19%	0.193	S	C	.	.	H	α-helix	trans	-58.9	-41.8	175.4	-177.3	0	0	0	0	112.4	A347 R348 A353 I354 D355	A347-S351 WeakPolarHBondContact O-CB 3.28Å; A347-S351 PolarHBondContact O-N 3.31Å; R348-S351 WeakPolarHBondContact O-CB 3.43Å; R348-S351 PolarHBondContact O-N 3.14Å; S351-A353 VanDerWaalsContact C-N 3.34Å; S351-A353 PolarHBondContact O-N 3.4Å; S351-I354 PolarHBondContact O-N 3.43Å; S351-D355 PolarHBondContact O-N 3.16Å
352	M	95.3	Very high	94.4	Very high	89 Å²	89	36.7 Å²	36.7	44%	0.438	19%	0.185	S	C	.	.	H	α-helix	trans	-65.3	-35.3	175.1	-71.7	174.7	60.8	0	0	112.6	R348 T349 V350 R356	R348-M352 HydrophobicContact CG-SD 4.21Å; R348-M352 WeakPolarHBondContact O-CG 3.38Å; R348-M352 PolarHBondContact O-N 3.25Å; T349-M352 PolarHBondContact O-N 3.47Å; V350-M352 VanDerWaalsContact C-N 3.32Å; V350-M352 PolarHBondContact O-N 2.89Å; M352-R356 WeakPolarHBondContact O-CB 3.44Å; M352-R356 PolarHBondContact O-N 2.7Å
353	A	95.9	Very high	94.3	Very high	5 Å²	5	38.1 Å²	38.1	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-65.9	-38.6	174.6	0	0	0	0	0	111.8	E211 V214 T349 V350 S351 R356 Y357	E211-A353 HydrophobicContact CG-CB 4.13Å; V214-A353 HydrophobicContact CG2-CB 4.04Å; T349-A353 PolarHBondContact O-N 3.49Å; V350-A353 WeakPolarHBondContact O-CB 3.48Å; V350-A353 PolarHBondContact O-N 3.07Å; V350-A353 VanDerWaalsContact O-N 3.11Å; S351-A353 VanDerWaalsContact C-N 3.34Å; S351-A353 PolarHBondContact O-N 3.4Å; A353-R356 PolarHBondContact O-N 3.42Å; A353-Y357 PolarHBondContact O-N 2.97Å
354	I	97	Very high	93.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.7	-47.8	174.6	-62.6	165.3	0	0	0	110.8	F137 V214 T219 I326 V350 S351 R356 Y357 Y358	F137-I354 HydrophobicContact CD1-CB 4.41Å; F137-I354 HydrophobicContact CD1-CG2 3.88Å; F137-I354 HydrophobicContact CD2-CG2 3.81Å; F137-I354 HydrophobicContact CE1-CB 3.71Å; F137-I354 HydrophobicContact CE1-CG2 3.53Å; F137-I354 HydrophobicContact CE2-CB 4.29Å; F137-I354 HydrophobicContact CE2-CD1 4.37Å; F137-I354 HydrophobicContact CE2-CG2 3.45Å; F137-I354 VanDerWaalsContact CE2-CG2 3.45Å; F137-I354 HydrophobicContact CG-CG2 4Å; F137-I354 HydrophobicContact CZ-CB 3.63Å; F137-I354 HydrophobicContact CZ-CD1 3.81Å; F137-I354 HydrophobicContact CZ-CG1 4.32Å; F137-I354 HydrophobicContact CZ-CG2 3.29Å; V214-I354 HydrophobicContact CG1-CG1 4.43Å; V214-I354 HydrophobicContact CG2-CG1 3.54Å; T219-I354 HydrophobicContact CG2-CG2 3.81Å; I326-I354 HydrophobicContact CG2-CD1 3.61Å; V350-I354 HydrophobicContact CG1-CD1 4.3Å; V350-I354 WeakPolarHBondContact O-CG1 3.39Å; V350-I354 PolarHBondContact O-N 3.14Å; S351-I354 PolarHBondContact O-N 3.43Å; I354-R356 PolarHBondContact O-N 3.19Å; I354-Y357 WeakPolarHBondContact O-CA 3.33Å; I354-Y357 WeakPolarHBondContact O-CB 3.33Å; I354-Y357 PolarHBondContact O-N 3.48Å; I354-Y358 HydrophobicContact CG2-CD2 3.88Å; I354-Y358 HydrophobicContact CG2-CE2 3.82Å; I354-Y358 WeakPolarHBondContact O-CD2 3.49Å; I354-Y358 PolarHBondContact O-N 2.94Å
355	D	94.8	Very high	93.5	Very high	57 Å²	57	37.1 Å²	37.1	31%	0.305	18%	0.176	S	C	.	.	H	α-helix	trans	-56.4	-40.1	176.2	174.2	69.5	0	0	0	111.6	F137 S351 Y358 K359	F137-D355 HydrophobicContact CD1-CB 4.34Å; S351-D355 PolarHBondContact O-N 3.16Å; D355-Y358 PolarHBondContact O-N 2.71Å; D355-K359 WeakPolarHBondContact O-CB 3.24Å; D355-K359 WeakPolarHBondContact O-CG 3.32Å; D355-K359 PolarHBondContact O-N 2.96Å; D355-K359 WeakPolarHBondContact OD1-CE 3.24Å; D355-K359 IonicContact OD1-NZ 3.9Å; D355-K359 PolarHBondContact OD1-NZ 3.39Å; D355-K359 WeakPolarHBondContact OD2-CE 3.39Å; D355-K359 IonicContact OD2-NZ 3Å; D355-K359 PolarHBondContact OD2-NZ 2.96Å
356	R	92.1	Very high	93	Very high	43 Å²	43	31.4 Å²	31.4	16%	0.162	15%	0.15	C	C	.	.	H	α-helix	trans	-63.3	-41.8	173.4	-171.4	-179	-69.2	159.1	3.3	112.3	D207 E211 M352 A353 I354 Y358 K359 V360 F608	D207-R356 IonicContact OD2-NH1 2.81Å; D207-R356 IonicContact OD2-NH2 3.8Å; D207-R356 PolarHBondContact OD2-NH2 3.28Å; E211-R356 VanDerWaalsContact OE1-CD 3.24Å; E211-R356 WeakPolarHBondContact OE1-CD 3.38Å; E211-R356 IonicContact OE1-CZ 4Å; E211-R356 IonicContact OE1-NE 2.73Å; E211-R356 IonicContact OE1-NH1 3.91Å; E211-R356 PolarHBondContact OE1-NH1 3.39Å; M352-R356 WeakPolarHBondContact O-CB 3.44Å; M352-R356 PolarHBondContact O-N 2.7Å; A353-R356 PolarHBondContact O-N 3.42Å; I354-R356 PolarHBondContact O-N 3.19Å; R356-Y358 VanDerWaalsContact C-N 3.33Å; R356-Y358 PolarHBondContact O-N 2.87Å; R356-K359 PolarHBondContact O-N 2.95Å; R356-V360 HydrophobicContact CG-CG2 4.23Å; R356-V360 WeakPolarHBondContact O-CB 3.26Å; R356-V360 VanDerWaalsContact O-CG2 3.29Å; R356-V360 WeakPolarHBondContact O-CG2 3.36Å; R356-V360 PolarHBondContact O-N 3.43Å; R356-F608 HydrophobicContact CG-CD2 3.88Å; R356-F608 HydrophobicContact CG-CE2 4.31Å
357	Y	95.1	Very high	92.7	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-59.7	-42.2	175.7	175.1	-135.4	0	0	0	112.3	D68 L70 V214 T219 A353 I354 N361 I603 I604 L605 F608	D68-Y357 PolarHBondContact OD1-OH 2.92Å; D68-Y357 PolarHBondContact OD2-OH 3.47Å; L70-Y357 HydrophobicContact CB-CE1 4.45Å; L70-Y357 HydrophobicContact CD1-CD1 4Å; L70-Y357 HydrophobicContact CD1-CD2 4.44Å; L70-Y357 HydrophobicContact CD1-CE1 3.69Å; L70-Y357 HydrophobicContact CD1-CE2 4.17Å; L70-Y357 HydrophobicContact CD1-CG 4.4Å; L70-Y357 HydrophobicContact CG-CE1 4.05Å; V214-Y357 HydrophobicContact CG1-CD1 3.97Å; V214-Y357 HydrophobicContact CG1-CG 4.31Å; T219-Y357 HydrophobicContact CG2-CD1 3.64Å; T219-Y357 HydrophobicContact CG2-CE1 3.86Å; A353-Y357 PolarHBondContact O-N 2.97Å; I354-Y357 WeakPolarHBondContact O-CA 3.33Å; I354-Y357 WeakPolarHBondContact O-CB 3.33Å; I354-Y357 PolarHBondContact O-N 3.48Å; Y357-N361 WeakPolarHBondContact CD2-ND2 3.35Å; Y357-N361 VanDerWaalsContact CE2-ND2 3.25Å; Y357-N361 WeakPolarHBondContact CE2-ND2 3.33Å; Y357-N361 PolarHBondContact O-N 2.9Å; Y357-N361 PolarHBondContact O-ND2 3Å; Y357-I603 HydrophobicContact CE2-CD1 3.94Å; Y357-I603 HydrophobicContact CE2-CG1 4.21Å; Y357-I603 WeakPolarHBondContact OH-CD1 3.49Å; Y357-I604 WeakPolarHBondContact CE2-O 3.27Å; Y357-L605 HydrophobicContact CE2-CD2 4.4Å; Y357-F608 AromaticContact CD2-CZ 3.93Å; Y357-F608 HydrophobicContact CD2-CZ 3.93Å
358	Y	94.9	Very high	92.3	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-47.3	174.1	-85.8	-106.2	0	0	0	111.8	L70 F137 L141 N142 T219 I354 D355 R356 N361 T362	L70-Y358 HydrophobicContact CD2-CD1 3.77Å; L70-Y358 HydrophobicContact CD2-CE1 3.39Å; L70-Y358 HydrophobicContact CD2-CE2 4.29Å; L70-Y358 HydrophobicContact CD2-CG 4.36Å; L70-Y358 HydrophobicContact CG-CE1 4.31Å; L70-Y358 HydrophobicContact CG-CE2 4.37Å; F137-Y358 HydrophobicContact CB-CD1 4.21Å; F137-Y358 HydrophobicContact CB-CD2 4.17Å; F137-Y358 HydrophobicContact CB-CE1 4.22Å; F137-Y358 HydrophobicContact CB-CE2 4.19Å; F137-Y358 HydrophobicContact CB-CG 4.18Å; F137-Y358 HydrophobicContact CD2-CE2 4.21Å; F137-Y358 HydrophobicContact CG-CD2 4.42Å; F137-Y358 HydrophobicContact CG-CE2 4.31Å; L141-Y358 HydrophobicContact CB-CD1 4.09Å; L141-Y358 HydrophobicContact CB-CE1 4.33Å; L141-Y358 HydrophobicContact CD2-CD1 3.98Å; L141-Y358 HydrophobicContact CD2-CG 4.48Å; L141-Y358 WeakPolarHBondContact CD2-O 3.31Å; N142-Y358 WeakPolarHBondContact OD1-CE1 3.46Å; N142-Y358 PolarHBondContact OD1-OH 3.46Å; T219-Y358 HydrophobicContact CG2-CE2 4.04Å; I354-Y358 HydrophobicContact CG2-CD2 3.88Å; I354-Y358 HydrophobicContact CG2-CE2 3.82Å; I354-Y358 WeakPolarHBondContact O-CD2 3.49Å; I354-Y358 PolarHBondContact O-N 2.94Å; D355-Y358 PolarHBondContact O-N 2.71Å; R356-Y358 VanDerWaalsContact C-N 3.33Å; R356-Y358 PolarHBondContact O-N 2.87Å; Y358-N361 CarbonylContact O-C 3.53Å; Y358-N361 PolarHBondContact O-N 3.48Å; Y358-T362 PolarHBondContact O-N 3.48Å; Y358-T362 PolarHBondContact O-OG1 3.03Å
359	K	90.2	Very high	91.9	Very high	106 Å²	106	30.6 Å²	30.6	46%	0.461	16%	0.157	S	C	.	.	H	α-helix	trans	-58.7	-52.5	-180	-76.4	171.4	177.6	168.6	0	112	D355 R356 N361 T362	D355-K359 WeakPolarHBondContact O-CB 3.24Å; D355-K359 WeakPolarHBondContact O-CG 3.32Å; D355-K359 PolarHBondContact O-N 2.96Å; D355-K359 WeakPolarHBondContact OD1-CE 3.24Å; D355-K359 IonicContact OD1-NZ 3.9Å; D355-K359 PolarHBondContact OD1-NZ 3.39Å; D355-K359 WeakPolarHBondContact OD2-CE 3.39Å; D355-K359 IonicContact OD2-NZ 3Å; D355-K359 PolarHBondContact OD2-NZ 2.96Å; R356-K359 PolarHBondContact O-N 2.95Å; K359-N361 PolarHBondContact O-N 2.96Å; K359-N361 VanDerWaalsContact O-N 3.07Å; K359-T362 VanDerWaalsContact O-CB 3.27Å; K359-T362 WeakPolarHBondContact O-CB 3.38Å; K359-T362 PolarHBondContact O-N 3.04Å
360	V	88.9	Confident	91.3	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.03	19%	0.185	C	C	.	.	H	α-helix	trans	-56.7	-28.3	179.5	172.2	0	0	0	0	113.1	R356 V580 E585 I604 F608	R356-V360 HydrophobicContact CG-CG2 4.23Å; R356-V360 WeakPolarHBondContact O-CB 3.26Å; R356-V360 VanDerWaalsContact O-CG2 3.29Å; R356-V360 WeakPolarHBondContact O-CG2 3.36Å; R356-V360 PolarHBondContact O-N 3.43Å; V360-V580 HydrophobicContact CG1-CG2 3.97Å; V360-V580 HydrophobicContact CG2-CG1 4.2Å; V360-E585 WeakPolarHBondContact CA-OE1 3.35Å; V360-E585 HydrophobicContact CG2-CG 4.13Å; V360-I604 HydrophobicContact CG1-CB 3.95Å; V360-I604 HydrophobicContact CG1-CD1 3.91Å; V360-I604 HydrophobicContact CG1-CG1 4.49Å; V360-I604 HydrophobicContact CG1-CG2 4.01Å; V360-F608 HydrophobicContact CB-CE1 4.23Å; V360-F608 HydrophobicContact CB-CZ 4.27Å; V360-F608 HydrophobicContact CG1-CD1 4.08Å; V360-F608 HydrophobicContact CG1-CE1 3.76Å; V360-F608 HydrophobicContact CG1-CZ 4.27Å; V360-F608 HydrophobicContact CG2-CD1 4.37Å; V360-F608 HydrophobicContact CG2-CD2 4.41Å; V360-F608 HydrophobicContact CG2-CE1 4.44Å; V360-F608 HydrophobicContact CG2-CE2 4.47Å; V360-F608 HydrophobicContact CG2-CG 4.36Å; V360-F608 HydrophobicContact CG2-CZ 4.5Å
361	N	91.6	Very high	90.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-99.9	0.1	179.6	-71.9	-66.5	0	0	0	113.9	L70 L141 F145 Y357 Y358 K359 R363 N379 I603 I604	L70-N361 HydrophobicContact CD1-CB 4.13Å; L141-N361 HydrophobicContact CD2-CB 4.29Å; F145-N361 HydrophobicContact CE2-CB 3.85Å; F145-N361 HydrophobicContact CZ-CB 3.88Å; F145-N361 VanDerWaalsContact CZ-O 3.28Å; F145-N361 WeakPolarHBondContact CZ-O 3.22Å; Y357-N361 WeakPolarHBondContact CD2-ND2 3.35Å; Y357-N361 VanDerWaalsContact CE2-ND2 3.25Å; Y357-N361 WeakPolarHBondContact CE2-ND2 3.33Å; Y357-N361 PolarHBondContact O-N 2.9Å; Y357-N361 PolarHBondContact O-ND2 3Å; Y358-N361 CarbonylContact O-C 3.53Å; Y358-N361 PolarHBondContact O-N 3.48Å; K359-N361 PolarHBondContact O-N 2.96Å; K359-N361 VanDerWaalsContact O-N 3.07Å; N361-R363 PolarHBondContact O-N 2.94Å; N361-N379 PolarHBondContact O-ND2 3.06Å; N361-I603 HydrophobicContact CB-CG1 4.29Å; N361-I603 VanDerWaalsContact CG-CG1 3.45Å; N361-I603 WeakPolarHBondContact OD1-CG1 3.5Å; N361-I604 PolarHBondContact ND2-O 3.21Å; N361-I604 PolarHBondContact OD1-N 3.44Å
362	T	91	Very high	89.8	Confident	28 Å²	28	42 Å²	42	17%	0.172	22%	0.222	C	C	.	.			trans	-76.6	118.6	174.1	-63	0	0	0	0	108.3	Y138 Y358 K359 P364 V380	Y138-T362 HydrophobicContact CD1-CG2 4.26Å; Y138-T362 HydrophobicContact CE1-CG2 3.92Å; Y358-T362 PolarHBondContact O-N 3.48Å; Y358-T362 PolarHBondContact O-OG1 3.03Å; K359-T362 VanDerWaalsContact O-CB 3.27Å; K359-T362 WeakPolarHBondContact O-CB 3.38Å; K359-T362 PolarHBondContact O-N 3.04Å; T362-P364 HydrophobicContact CG2-CG 4.06Å; T362-P364 WeakPolarHBondContact O-CD 3.02Å; T362-V380 HydrophobicContact CG2-CG2 4.13Å
363	R	87.7	Confident	89.1	Confident	39 Å²	39	38 Å²	38	15%	0.147	20%	0.202	C	C	.	.			trans	-117.1	79.6	178.8	-60.5	177.9	-176.7	166.9	4.2	109.5	N361 Q377 A378 N379 V380 K601 P602	N361-R363 PolarHBondContact O-N 2.94Å; R363-Q377 WeakPolarHBondContact CD-O 3.05Å; R363-A378 CarbonylContact O-C 3.31Å; R363-A378 WeakPolarHBondContact O-CA 3.02Å; R363-A378 WeakPolarHBondContact O-CB 3.21Å; R363-N379 WeakPolarHBondContact CA-OD1 3.41Å; R363-N379 PolarHBondContact N-OD1 3.48Å; R363-N379 PolarHBondContact O-N 3.33Å; R363-N379 PolarHBondContact O-OD1 3.05Å; R363-V380 PolarHBondContact O-N 3.32Å; R363-K601 PolarHBondContact NH1-O 2.94Å; R363-K601 PolarHBondContact NH2-O 3.45Å; R363-K601 VanDerWaalsContact NH2-O 3.16Å; R363-P602 PolarHBondContact NH2-O 3.46Å
364	P	86.4	Confident	88.6	Confident	27 Å²	27	39 Å²	39	18%	0.175	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	149.9	170	-13.1	8.9	0	0	0	112.3	T362 V380 D382 Q575	T362-P364 HydrophobicContact CG2-CG 4.06Å; T362-P364 WeakPolarHBondContact O-CD 3.02Å; P364-V380 CarbonylContact C-O 3.57Å; P364-V380 VanDerWaalsContact CA-O 3.26Å; P364-V380 WeakPolarHBondContact CA-O 3.33Å; P364-D382 HydrophobicContact CB-CB 3.76Å; P364-Q575 VanDerWaalsContact CB-CD 3.42Å; P364-Q575 HydrophobicContact CB-CG 4.31Å; P364-Q575 VanDerWaalsContact CB-NE2 3.33Å; P364-Q575 WeakPolarHBondContact O-CG 3.4Å; P364-Q575 PolarHBondContact O-NE2 2.82Å
365	G	84.8	Confident	88.1	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.5	170.2	174.8	0	0	0	0	0	111	V367 V380 D382	G365-V367 PolarHBondContact O-N 3Å; G365-V367 VanDerWaalsContact O-N 3.17Å; G365-V380 PolarHBondContact N-O 2.97Å; G365-V380 VanDerWaalsContact O-O 3.06Å; G365-D382 VanDerWaalsContact CA-OD1 3.26Å; G365-D382 WeakPolarHBondContact CA-OD1 3.09Å; G365-D382 WeakPolarHBondContact CA-OD2 2.97Å; G365-D382 PolarHBondContact O-N 3.48Å
366	C	86.9	Confident	87.8	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.			trans	-61.2	120	174.5	177.1	0	0	0	0	111.3	S371 N373 N375 D382 S384 C385	C366-S371 WeakPolarHBondContact SG-CB 3.49Å; C366-N373 WeakPolarHBondContact CB-O 3.41Å; C366-N375 PolarHBondContact O-N 2.96Å; C366-D382 PolarHBondContact N-OD1 3.35Å; C366-S384 PolarHBondContact N-OG 3.49Å; C366-C385 WeakPolarHBondContact CA-SG 2.98Å; C366-C385 HydrophobicContact CB-CB 3.99Å; C366-C385 WeakPolarHBondContact CB-SG 3.29Å; C366-C385 WeakPolarHBondContact SG-CA 3.22Å; C366-C385 WeakPolarHBondContact SG-CB 3.25Å; C366-C385 CovalentContact SG-SG 2.04Å; C366-C385 PolarHBondContact SG-SG 2.04Å
367	V	89.9	Confident	87.6	Confident	16 Å²	16	35.5 Å²	35.5	10%	0.097	19%	0.19	C	C	.	.			trans	-99.8	-7.6	179.1	-63.6	0	0	0	0	113.5	W120 L121 G365 I369 F374 A378 D381	W120-V367 HydrophobicContact CH2-CG1 4.32Å; W120-V367 HydrophobicContact CZ2-CB 4.35Å; W120-V367 HydrophobicContact CZ2-CG1 4.21Å; L121-V367 HydrophobicContact CD1-CB 3.89Å; L121-V367 HydrophobicContact CD1-CG1 4.29Å; L121-V367 HydrophobicContact CD1-CG2 3.64Å; G365-V367 PolarHBondContact O-N 3Å; G365-V367 VanDerWaalsContact O-N 3.17Å; V367-I369 PolarHBondContact O-N 3.4Å; V367-F374 WeakPolarHBondContact O-CE2 3.03Å; V367-A378 HydrophobicContact CG1-CB 4.12Å; V367-D381 HydrophobicContact CG1-CB 4.38Å; V367-D381 HydrophobicContact CG2-CB 3.61Å
368	D	88.5	Confident	87.4	Confident	83 Å²	83	35.5 Å²	35.5	44%	0.444	19%	0.19	S	C	.	.			trans	-74	114	176.6	177.8	14.2	0	0	0	111	G370 S371 F374	D368-G370 PolarHBondContact O-N 3.38Å; D368-G370 PolarHBondContact OD1-N 3.34Å; D368-S371 WeakPolarHBondContact O-CB 3.42Å; D368-S371 PolarHBondContact O-N 2.97Å; D368-S371 VanDerWaalsContact O-N 3.11Å; D368-F374 VanDerWaalsContact C-CD2 3.47Å; D368-F374 WeakPolarHBondContact O-CB 3.39Å; D368-F374 VanDerWaalsContact O-CD2 3.25Å; D368-F374 WeakPolarHBondContact O-CD2 3.26Å
369	I	87.1	Confident	87.2	Confident	82 Å²	82	35.7 Å²	35.7	42%	0.421	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.8	-179.6	-60.5	163.9	0	0	0	111.4	V157 V367 S371 F374	V157-I369 HydrophobicContact CG2-CD1 4.07Å; V157-I369 HydrophobicContact CG2-CG1 4.22Å; V367-I369 PolarHBondContact O-N 3.4Å; I369-S371 VanDerWaalsContact C-N 3.28Å; I369-S371 PolarHBondContact O-N 3.01Å; I369-F374 HydrophobicContact CG1-CD2 4.34Å; I369-F374 HydrophobicContact CG1-CE2 3.83Å; I369-F374 HydrophobicContact CG1-CZ 3.98Å
370	G	84.2	Confident	87.3	Confident	70 Å²	70	31.1 Å²	31.1	72%	0.722	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-15.8	177.5	0	0	0	0	0	114	D368	D368-G370 PolarHBondContact O-N 3.38Å; D368-G370 PolarHBondContact OD1-N 3.34Å
371	S	84.9	Confident	87.2	Confident	16 Å²	16	34.2 Å²	34.2	11%	0.112	19%	0.188	C	C	.	.	S	Bend	trans	-80.1	141.6	-177	179.8	0	0	0	0	112.6	C366 D368 I369 N373 F374 C385	C366-S371 WeakPolarHBondContact SG-CB 3.49Å; D368-S371 WeakPolarHBondContact O-CB 3.42Å; D368-S371 PolarHBondContact O-N 2.97Å; D368-S371 VanDerWaalsContact O-N 3.11Å; I369-S371 VanDerWaalsContact C-N 3.28Å; I369-S371 PolarHBondContact O-N 3.01Å; S371-N373 PolarHBondContact O-N 2.9Å; S371-N373 VanDerWaalsContact O-N 3.16Å; S371-N373 PolarHBondContact OG-N 3.35Å; S371-N373 VanDerWaalsContact OG-N 3.15Å; S371-F374 VanDerWaalsContact O-CB 3.3Å; S371-F374 WeakPolarHBondContact O-CB 3.19Å; S371-F374 PolarHBondContact O-N 3.43Å; S371-F374 VanDerWaalsContact O-N 3.08Å; S371-C385 PolarHBondContact OG-O 3.35Å; S371-C385 VanDerWaalsContact OG-O 3.04Å
372	K	79.3	Confident	86.9	Confident	213 Å²	213	35.5 Å²	35.5	93%	0.926	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.9	170.8	-67.7	-175.4	179.6	179.8	0	113.4
373	N	79.9	Confident	86.5	Confident	5 Å²	5	40.4 Å²	40.4	3%	0.027	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	13.5	178.1	-165.8	34.6	0	0	0	112.6	C366 S371 N375 S384 K572 F573 S574 S592	C366-N373 WeakPolarHBondContact CB-O 3.41Å; S371-N373 PolarHBondContact O-N 2.9Å; S371-N373 VanDerWaalsContact O-N 3.16Å; S371-N373 PolarHBondContact OG-N 3.35Å; S371-N373 VanDerWaalsContact OG-N 3.15Å; N373-N375 PolarHBondContact O-N 3.34Å; N373-S384 PolarHBondContact ND2-O 3.1Å; N373-S384 PolarHBondContact ND2-OG 3.27Å; N373-K572 VanDerWaalsContact ND2-CA 3.34Å; N373-K572 WeakPolarHBondContact ND2-CA 3.41Å; N373-K572 PolarHBondContact OD1-O 3.12Å; N373-K572 VanDerWaalsContact OD1-O 3.12Å; N373-F573 PolarHBondContact ND2-O 3.43Å; N373-S574 PolarHBondContact OD1-OG 3.49Å; N373-S592 PolarHBondContact O-OG 2.87Å; N373-S592 PolarHBondContact OD1-OG 3.44Å
374	F	85.6	Confident	86.1	Confident	28 Å²	28	38.9 Å²	38.9	12%	0.123	22%	0.216	C	C	.	.			trans	-49.6	129.3	178.6	176.2	-113.7	0	0	0	112	V157 V367 D368 I369 S371 F376	V157-F374 HydrophobicContact CG1-CE1 3.62Å; V157-F374 HydrophobicContact CG1-CZ 4.07Å; V157-F374 HydrophobicContact CG2-CE1 4.22Å; V157-F374 HydrophobicContact CG2-CZ 3.78Å; V367-F374 WeakPolarHBondContact O-CE2 3.03Å; D368-F374 VanDerWaalsContact C-CD2 3.47Å; D368-F374 WeakPolarHBondContact O-CB 3.39Å; D368-F374 VanDerWaalsContact O-CD2 3.25Å; D368-F374 WeakPolarHBondContact O-CD2 3.26Å; I369-F374 HydrophobicContact CG1-CD2 4.34Å; I369-F374 HydrophobicContact CG1-CE2 3.83Å; I369-F374 HydrophobicContact CG1-CZ 3.98Å; S371-F374 VanDerWaalsContact O-CB 3.3Å; S371-F374 WeakPolarHBondContact O-CB 3.19Å; S371-F374 PolarHBondContact O-N 3.43Å; S371-F374 VanDerWaalsContact O-N 3.08Å; F374-F376 HydrophobicContact CE1-CB 3.79Å; F374-F376 HydrophobicContact CE1-CD2 4.22Å; F374-F376 HydrophobicContact CZ-CB 4.28Å; F374-F376 HydrophobicContact CZ-CD2 4.3Å
375	N	86.8	Confident	85.8	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.016	21%	0.212	C	C	.	.			trans	-111.4	99.1	177.8	-177.1	-4.9	0	0	0	110.1	C366 N373 Q377 A378 T596	C366-N375 PolarHBondContact O-N 2.96Å; N373-N375 PolarHBondContact O-N 3.34Å; N375-Q377 PolarHBondContact O-N 2.91Å; N375-Q377 WeakPolarHBondContact OD1-CA 3.36Å; N375-Q377 WeakPolarHBondContact OD1-CB 3.25Å; N375-Q377 PolarHBondContact OD1-N 3.48Å; N375-A378 HydrophobicContact CB-CB 3.87Å; N375-A378 VanDerWaalsContact O-CB 3.29Å; N375-A378 WeakPolarHBondContact O-CB 3.46Å; N375-A378 PolarHBondContact O-N 2.9Å; N375-A378 PolarHBondContact OD1-N 3.35Å; N375-T596 HydrophobicContact CB-CG2 3.98Å; N375-T596 WeakPolarHBondContact OD1-CG2 3.38Å
376	F	88.3	Confident	85.4	Confident	10 Å²	10	44.8 Å²	44.8	4%	0.044	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.8	176.9	-179.6	-117.6	0	0	0	113.4	K153 V157 F374 T596 G598 L600	K153-F376 WeakPolarHBondContact CE-O 3.33Å; K153-F376 HydrophobicContact CG-CE2 4.07Å; K153-F376 PolarHBondContact NZ-O 3.4Å; V157-F376 HydrophobicContact CB-CD2 3.9Å; V157-F376 HydrophobicContact CB-CE2 3.78Å; V157-F376 HydrophobicContact CG1-CD2 3.65Å; V157-F376 HydrophobicContact CG1-CE2 3.97Å; V157-F376 HydrophobicContact CG2-CD2 3.9Å; V157-F376 HydrophobicContact CG2-CE2 3.95Å; F374-F376 HydrophobicContact CE1-CB 3.79Å; F374-F376 HydrophobicContact CE1-CD2 4.22Å; F374-F376 HydrophobicContact CZ-CB 4.28Å; F374-F376 HydrophobicContact CZ-CD2 4.3Å; F376-T596 WeakPolarHBondContact CB-O 3.49Å; F376-G598 VanDerWaalsContact CE1-O 3.32Å; F376-G598 WeakPolarHBondContact CE1-O 3.39Å; F376-L600 HydrophobicContact CD1-CD2 4.03Å; F376-L600 HydrophobicContact CD2-CD2 4.47Å; F376-L600 HydrophobicContact CE1-CD2 3.67Å; F376-L600 HydrophobicContact CE1-CG 3.78Å; F376-L600 HydrophobicContact CE2-CD2 4.17Å; F376-L600 HydrophobicContact CG-CD2 4.42Å; F376-L600 HydrophobicContact CZ-CD1 4.37Å; F376-L600 HydrophobicContact CZ-CD2 3.75Å; F376-L600 HydrophobicContact CZ-CG 3.73Å; F376-L600 VanDerWaalsContact O-CD2 3.25Å; F376-L600 WeakPolarHBondContact O-CD2 3.29Å
377	Q	88.4	Confident	84.5	Confident	13 Å²	13	46.1 Å²	46.1	6%	0.061	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-12.7	177.4	-56.6	-63.4	-33.5	0	0	113.2	R363 N375 D599	R363-Q377 WeakPolarHBondContact CD-O 3.05Å; N375-Q377 PolarHBondContact O-N 2.91Å; N375-Q377 WeakPolarHBondContact OD1-CA 3.36Å; N375-Q377 WeakPolarHBondContact OD1-CB 3.25Å; N375-Q377 PolarHBondContact OD1-N 3.48Å; Q377-D599 PolarHBondContact NE2-O 3.37Å
378	A	89.8	Confident	83.2	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.286	C	S	.	.			trans	-72.8	133.4	-176.5	0	0	0	0	0	111.6	W120 K153 R363 V367 N375	W120-A378 WeakPolarHBondContact CH2-O 3.49Å; K153-A378 PolarHBondContact NZ-O 3.45Å; R363-A378 CarbonylContact O-C 3.31Å; R363-A378 WeakPolarHBondContact O-CA 3.02Å; R363-A378 WeakPolarHBondContact O-CB 3.21Å; V367-A378 HydrophobicContact CG1-CB 4.12Å; N375-A378 HydrophobicContact CB-CB 3.87Å; N375-A378 VanDerWaalsContact O-CB 3.29Å; N375-A378 WeakPolarHBondContact O-CB 3.46Å; N375-A378 PolarHBondContact O-N 2.9Å; N375-A378 PolarHBondContact OD1-N 3.35Å
379	N	91.6	Very high	81.8	Confident	6 Å²	6	49.7 Å²	49.7	3%	0.032	30%	0.295	C	S	.	.	S	Bend	trans	-109.8	-4.4	174.2	56.8	20.6	0	0	0	112.8	W120 L141 K144 F145 N361 R363	W120-N379 HydrophobicContact CZ3-CB 4.49Å; L141-N379 HydrophobicContact CD1-CB 4.23Å; L141-N379 VanDerWaalsContact CD1-CG 3.41Å; L141-N379 VanDerWaalsContact CD1-ND2 3.26Å; L141-N379 WeakPolarHBondContact CD1-ND2 3.29Å; K144-N379 HydrophobicContact CB-CB 4.27Å; F145-N379 WeakPolarHBondContact CE2-ND2 3.12Å; F145-N379 VanDerWaalsContact CZ-ND2 3.29Å; F145-N379 WeakPolarHBondContact CZ-ND2 3.26Å; N361-N379 PolarHBondContact O-ND2 3.06Å; R363-N379 WeakPolarHBondContact CA-OD1 3.41Å; R363-N379 PolarHBondContact N-OD1 3.48Å; R363-N379 PolarHBondContact O-N 3.33Å; R363-N379 PolarHBondContact O-OD1 3.05Å
380	V	91	Very high	80.6	Confident	9 Å²	9	48.7 Å²	48.7	6%	0.055	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	133.4	-176.3	172.4	0	0	0	0	107.9	Y138 L141 T362 R363 P364 G365	Y138-V380 HydrophobicContact CE1-CG1 4.21Å; Y138-V380 HydrophobicContact CE1-CG2 3.7Å; Y138-V380 VanDerWaalsContact OH-CG1 3.26Å; Y138-V380 WeakPolarHBondContact OH-CG1 3.42Å; L141-V380 HydrophobicContact CD1-CG2 4.38Å; T362-V380 HydrophobicContact CG2-CG2 4.13Å; R363-V380 PolarHBondContact O-N 3.32Å; P364-V380 CarbonylContact C-O 3.57Å; P364-V380 VanDerWaalsContact CA-O 3.26Å; P364-V380 WeakPolarHBondContact CA-O 3.33Å; G365-V380 PolarHBondContact N-O 2.97Å; G365-V380 VanDerWaalsContact O-O 3.06Å
381	D	88.5	Confident	79.6	Confident	71 Å²	71	51.1 Å²	51.1	38%	0.38	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128	174.9	-163.9	-3.5	0	0	0	110.9	V367 N383	V367-D381 HydrophobicContact CG1-CB 4.38Å; V367-D381 HydrophobicContact CG2-CB 3.61Å; D381-N383 PolarHBondContact OD1-N 2.9Å
382	D	83.7	Confident	79.2	Confident	26 Å²	26	52.5 Å²	52.5	14%	0.139	30%	0.295	C	S	.	.			trans	-104.9	5.6	174.2	70.8	-10.9	0	0	0	113.3	P364 G365 C366 S384	P364-D382 HydrophobicContact CB-CB 3.76Å; G365-D382 VanDerWaalsContact CA-OD1 3.26Å; G365-D382 WeakPolarHBondContact CA-OD1 3.09Å; G365-D382 WeakPolarHBondContact CA-OD2 2.97Å; G365-D382 PolarHBondContact O-N 3.48Å; C366-D382 PolarHBondContact N-OD1 3.35Å; D382-S384 PolarHBondContact O-N 3.17Å; D382-S384 WeakPolarHBondContact OD1-CB 3.17Å; D382-S384 PolarHBondContact OD1-N 3.26Å; D382-S384 PolarHBondContact OD1-OG 2.93Å
383	N	82.2	Confident	79.3	Confident	132 Å²	132	43.4 Å²	43.4	71%	0.706	26%	0.258	S	S	*	.	S	Bend	trans	58.6	28.9	-174.1	-56	-75	0	0	0	113.1	D381 C385	D381-N383 PolarHBondContact OD1-N 2.9Å; N383-C385 VanDerWaalsContact C-N 3.34Å
384	S	79.3	Confident	79.8	Confident	7 Å²	7	43.3 Å²	43.3	5%	0.049	26%	0.258	C	S	.	.			trans	-89.2	7.4	178.3	86.2	0	0	0	0	114.3	C366 N373 D382 D386 F573	C366-S384 PolarHBondContact N-OG 3.49Å; N373-S384 PolarHBondContact ND2-O 3.1Å; N373-S384 PolarHBondContact ND2-OG 3.27Å; D382-S384 PolarHBondContact O-N 3.17Å; D382-S384 WeakPolarHBondContact OD1-CB 3.17Å; D382-S384 PolarHBondContact OD1-N 3.26Å; D382-S384 PolarHBondContact OD1-OG 2.93Å; S384-D386 VanDerWaalsContact C-N 3.35Å; S384-D386 PolarHBondContact O-N 3.04Å; S384-F573 PolarHBondContact OG-O 2.92Å
385	C	80.1	Confident	80	Confident	16 Å²	16	42.2 Å²	42.2	11%	0.108	25%	0.254	C	S	.	.	S	Bend	trans	-64	-38.8	-175.4	-65.5	0	0	0	0	112.6	C366 S371 N383	C366-C385 WeakPolarHBondContact CA-SG 2.98Å; C366-C385 HydrophobicContact CB-CB 3.99Å; C366-C385 WeakPolarHBondContact CB-SG 3.29Å; C366-C385 WeakPolarHBondContact SG-CA 3.22Å; C366-C385 WeakPolarHBondContact SG-CB 3.25Å; C366-C385 CovalentContact SG-SG 2.04Å; C366-C385 PolarHBondContact SG-SG 2.04Å; S371-C385 PolarHBondContact OG-O 3.35Å; S371-C385 VanDerWaalsContact OG-O 3.04Å; N383-C385 VanDerWaalsContact C-N 3.34Å
386	D	76.9	Confident	80.3	Confident	134 Å²	134	42.2 Å²	42.2	72%	0.717	25%	0.254	S	S	*	.	S	Bend	trans	-123.9	149.2	-177	-66.3	-51.7	0	0	0	112.7	S384	S384-D386 VanDerWaalsContact C-N 3.35Å; S384-D386 PolarHBondContact O-N 3.04Å
387	G	68.4	Low	80.6	Confident	28 Å²	28	41.9 Å²	41.9	29%	0.289	25%	0.253	S	S	.	.			trans	157.8	173	170.1	0	0	0	0	0	115.9	K572	G387-K572 WeakPolarHBondContact O-CD 3.03Å; G387-K572 WeakPolarHBondContact O-CE 3.42Å; G387-K572 PolarHBondContact O-NZ 2.79Å
388	P	63.1	Low	81	Confident	97 Å²	97	41.9 Å²	41.9	63%	0.63	25%	0.253	S	S	*	.			trans	-68.1	139.4	179.8	28.5	-33.6	0	0	0	110.8
389	A	59.8	Low	81.3	Confident	77 Å²	77	42 Å²	42	64%	0.636	25%	0.253	S	S	*	.			trans	-74.9	130.1	172.9	0	0	0	0	0	109.3	K572	A389-K572 HydrophobicContact CB-CD 4.08Å
390	T	60.8	Low	81.4	Confident	61 Å²	61	45 Å²	45	37%	0.374	27%	0.268	S	S	.	.			trans	-107.5	132.9	176.3	48.1	0	0	0	0	110.3	L392	T390-L392 PolarHBondContact O-N 3.15Å; T390-L392 WeakPolarHBondContact OG1-CG 3.17Å
391	N	64.2	Low	81.6	Confident	121 Å²	121	45.7 Å²	45.7	65%	0.647	27%	0.272	S	S	*	.			trans	-75.1	94.5	171.4	-72.4	-7.1	0	0	0	108.9
392	L	75	Confident	81.9	Confident	46 Å²	46	44.8 Å²	44.8	24%	0.241	27%	0.269	C	S	.	.			trans	-97.8	148	-178.3	-58.1	176.9	0	0	0	110.4	T390 F550 L562 P570 F573	T390-L392 PolarHBondContact O-N 3.15Å; T390-L392 WeakPolarHBondContact OG1-CG 3.17Å; L392-F550 WeakPolarHBondContact CB-O 3.36Å; L392-L562 HydrophobicContact CB-CD1 4.25Å; L392-L562 HydrophobicContact CD1-CB 4.44Å; L392-L562 HydrophobicContact CD1-CD1 4.16Å; L392-L562 HydrophobicContact CD2-CB 4.11Å; L392-L562 HydrophobicContact CD2-CD1 4.11Å; L392-L562 HydrophobicContact CD2-CD2 4.14Å; L392-L562 HydrophobicContact CD2-CG 4.32Å; L392-L562 HydrophobicContact CG-CD1 4.38Å; L392-P570 HydrophobicContact CD1-CB 4.19Å; L392-P570 HydrophobicContact CD1-CG 3.82Å; L392-F573 HydrophobicContact CD1-CD2 4.33Å; L392-F573 HydrophobicContact CD1-CE2 3.69Å; L392-F573 HydrophobicContact CD1-CZ 3.84Å
393	S	82.8	Confident	82.3	Confident	21 Å²	21	48.4 Å²	48.4	15%	0.147	28%	0.284	C	S	.	.			trans	-135.2	143.5	-179.8	-171.1	0	0	0	0	111.3	Y431	S393-Y431 PolarHBondContact OG-OH 3.45Å
394	F	89.3	Confident	82.7	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.018	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-107.9	119.8	-175.6	175.9	-133.2	0	0	0	110.6	G396 V397 W485 G497 Y498 I534 V536 F550	F394-G396 WeakPolarHBondContact CE2-O 3.35Å; F394-V397 HydrophobicContact CE2-CG1 4.03Å; F394-V397 HydrophobicContact CZ-CG1 3.89Å; F394-W485 HydrophobicContact CD2-CE3 4.41Å; F394-G497 CarbonylContact O-C 3.53Å; F394-G497 WeakPolarHBondContact O-CA 3.35Å; F394-Y498 PolarHBondContact O-N 3.29Å; F394-I534 HydrophobicContact CE1-CD1 4.12Å; F394-I534 HydrophobicContact CZ-CD1 3.74Å; F394-V536 HydrophobicContact CE1-CG1 3.69Å; F394-V536 HydrophobicContact CZ-CG1 4.45Å; F394-F550 HydrophobicContact CB-CD1 3.74Å; F394-F550 HydrophobicContact CB-CE1 4.12Å; F394-F550 HydrophobicContact CB-CG 4.47Å; F394-F550 HydrophobicContact CD2-CD1 4.01Å; F394-F550 AromaticContact CD2-CE1 3.5Å; F394-F550 HydrophobicContact CD2-CE1 3.5Å; F394-F550 VanDerWaalsContact CD2-CE1 3.5Å; F394-F550 HydrophobicContact CD2-CZ 4.08Å; F394-F550 HydrophobicContact CE2-CE1 4.1Å; F394-F550 HydrophobicContact CE2-CZ 4.23Å; F394-F550 AromaticContact CG-CD1 3.95Å; F394-F550 HydrophobicContact CG-CD1 3.95Å; F394-F550 AromaticContact CG-CE1 3.91Å; F394-F550 HydrophobicContact CG-CE1 3.91Å
395	G	90.2	Very high	82.9	Confident	5 Å²	5	47.5 Å²	47.5	5%	0.052	28%	0.279	C	S	.	.			trans	-92	8.8	-176.8	0	0	0	0	0	115.1	N419 Y431 C486	G395-N419 PolarHBondContact O-ND2 3.07Å; G395-Y431 VanDerWaalsContact CA-CD1 3.43Å; G395-C486 VanDerWaalsContact C-CB 3.49Å; G395-C486 PolarHBondContact N-O 2.96Å; G395-C486 WeakPolarHBondContact O-CB 3.17Å
396	G	92.8	Very high	83.2	Confident	2 Å²	2	54.2 Å²	54.2	2%	0.021	31%	0.314	C	S	.	.			trans	92.3	-176.5	-176.6	0	0	0	0	0	114.4	F394 C486	F394-G396 WeakPolarHBondContact CE2-O 3.35Å; G396-C486 PolarHBondContact O-N 2.83Å
397	V	95.5	Very high	83.6	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.024	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	158.2	179.1	-67.2	0	0	0	0	110.9	F394 Y484 W485 V525 F527 I534 L553	F394-V397 HydrophobicContact CE2-CG1 4.03Å; F394-V397 HydrophobicContact CZ-CG1 3.89Å; V397-Y484 WeakPolarHBondContact CA-O 3.32Å; V397-Y484 WeakPolarHBondContact CB-O 3.3Å; V397-W485 HydrophobicContact CG1-CB 3.8Å; V397-V525 HydrophobicContact CG2-CG1 3.83Å; V397-F527 HydrophobicContact CB-CD2 4.42Å; V397-F527 HydrophobicContact CG1-CD2 4.1Å; V397-F527 HydrophobicContact CG1-CE2 4.12Å; V397-F527 HydrophobicContact CG2-CD2 4.32Å; V397-I534 HydrophobicContact CG1-CD1 4.49Å; V397-I534 HydrophobicContact CG2-CG2 3.59Å; V397-L553 HydrophobicContact CG1-CD1 4.25Å
398	Y	95.8	Very high	84.5	Confident	12 Å²	12	49.1 Å²	49.1	5%	0.047	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	159.2	168.5	65.6	-89.7	0	0	0	111.2	Q417 N419 Y425 P433 Y484	Y398-Q417 CarbonylContact C-O 3.25Å; Y398-Q417 WeakPolarHBondContact CA-O 3.28Å; Y398-Q417 WeakPolarHBondContact CB-O 3.17Å; Y398-N419 HydrophobicContact CD1-CB 4.35Å; Y398-Y425 HydrophobicContact CD2-CD1 4.15Å; Y398-Y425 HydrophobicContact CD2-CG 4.5Å; Y398-Y425 WeakPolarHBondContact CE2-O 3.45Å; Y398-P433 HydrophobicContact CE1-CB 4.41Å; Y398-P433 WeakPolarHBondContact OH-CB 3.03Å; Y398-Y484 HydrophobicContact CD2-CD2 4.01Å; Y398-Y484 HydrophobicContact CD2-CG 4.41Å; Y398-Y484 HydrophobicContact CE1-CG 4.2Å; Y398-Y484 AromaticContact CE2-CD2 3.33Å; Y398-Y484 HydrophobicContact CE2-CD2 3.33Å; Y398-Y484 HydrophobicContact CE2-CE2 4.08Å; Y398-Y484 AromaticContact CE2-CG 3.63Å; Y398-Y484 HydrophobicContact CE2-CG 3.63Å; Y398-Y484 AromaticContact CZ-CD2 3.74Å; Y398-Y484 AromaticContact CZ-CG 3.5Å; Y398-Y484 PolarHBondContact N-O 3.26Å; Y398-Y484 PolarHBondContact O-N 2.95Å
399	Q	95.4	Very high	85.8	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.009	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	122.5	178.8	-58.1	-172.9	-78.8	0	0	110.4	L415 Q417 Y425 I481 N482 T483 L528	Q399-L415 PolarHBondContact OE1-O 2.93Å; Q399-Q417 HydrophobicContact CB-CB 4.06Å; Q399-Q417 HydrophobicContact CG-CB 4.22Å; Q399-Q417 PolarHBondContact N-O 3.11Å; Q399-Q417 PolarHBondContact O-N 3.31Å; Q399-Y425 WeakPolarHBondContact O-CE1 3.32Å; Q399-I481 HydrophobicContact CB-CG2 4.32Å; Q399-N482 CarbonylContact C-O 3.57Å; Q399-N482 WeakPolarHBondContact CA-O 3.22Å; Q399-T483 HydrophobicContact CG-CG2 3.98Å; Q399-T483 PolarHBondContact NE2-OG1 2.85Å; Q399-L528 VanDerWaalsContact NE2-C 3.32Å
400	Q	95.1	Very high	87.3	Confident	71 Å²	71	46.4 Å²	46.4	33%	0.332	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131.5	176.1	-172.6	179.6	7.7	0	0	109.9	Y425 I481 N482	Q400-Y425 HydrophobicContact CB-CD1 4.41Å; Q400-I481 WeakPolarHBondContact O-CA 3.25Å; Q400-N482 PolarHBondContact N-O 3.39Å; Q400-N482 PolarHBondContact O-N 3.26Å
401	C	94.9	Very high	88.6	Confident	23 Å²	23	44 Å²	44	16%	0.155	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.9	174.5	-173.5	0	0	0	0	111.3	C412 A416 A479 I481	C401-C412 HydrophobicContact CB-CB 3.57Å; C401-C412 WeakPolarHBondContact CB-SG 3.34Å; C401-C412 WeakPolarHBondContact SG-CA 3.33Å; C401-C412 WeakPolarHBondContact SG-CB 3.49Å; C401-C412 CovalentContact SG-SG 2.04Å; C401-C412 PolarHBondContact SG-SG 2.9Å; C401-A416 HydrophobicContact CB-CB 4.27Å; C401-A479 VanDerWaalsContact SG-CB 3.55Å; C401-I481 HydrophobicContact CB-CD1 3.63Å; C401-I481 WeakPolarHBondContact SG-CD1 3.36Å
402	T	94.7	Very high	89.9	Confident	51 Å²	51	39 Å²	39	31%	0.313	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.6	176	49.7	0	0	0	0	109.2	L404 A479 R480	T402-L404 PolarHBondContact O-N 2.82Å; T402-A479 CarbonylContact O-C 3.54Å; T402-A479 VanDerWaalsContact O-CA 3.32Å; T402-A479 WeakPolarHBondContact O-CA 3.1Å; T402-A479 WeakPolarHBondContact O-CB 3.34Å; T402-R480 PolarHBondContact N-O 2.94Å; T402-R480 PolarHBondContact O-N 3.41Å; T402-R480 WeakPolarHBondContact OG1-CB 3.47Å; T402-R480 PolarHBondContact OG1-O 3.48Å
403	K	92.8	Very high	90.7	Very high	102 Å²	102	43.9 Å²	43.9	44%	0.443	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	131.2	-178.4	-57.6	-179	-166.1	175.9	0	109.8	A408 D409	K403-A408 HydrophobicContact CB-CB 4.16Å; K403-A408 HydrophobicContact CG-CB 4.2Å; K403-D409 VanDerWaalsContact CE-CG 3.44Å; K403-D409 WeakPolarHBondContact CE-OD1 3.26Å; K403-D409 IonicContact NZ-OD1 3.68Å; K403-D409 PolarHBondContact NZ-OD1 3.38Å; K403-D409 IonicContact NZ-OD2 3.7Å; K403-D409 PolarHBondContact NZ-OD2 3.27Å
404	L	89	Confident	91.1	Very high	80 Å²	80	47 Å²	47	42%	0.419	25%	0.252	S	S	.	.	S	Bend	trans	-100.7	-30.2	170.2	-60.9	177.1	0	0	0	110.9	T402 V440 S478 R480	T402-L404 PolarHBondContact O-N 2.82Å; L404-V440 HydrophobicContact CD1-CB 4.5Å; L404-V440 HydrophobicContact CD1-CG1 3.67Å; L404-V440 HydrophobicContact CD1-CG2 4.05Å; L404-S478 WeakPolarHBondContact CB-O 3.31Å; L404-S478 WeakPolarHBondContact CB-OG 3.35Å; L404-S478 PolarHBondContact N-O 3.28Å; L404-R480 HydrophobicContact CD1-CB 4.28Å; L404-R480 HydrophobicContact CD2-CB 4.32Å; L404-R480 HydrophobicContact CG-CB 4.33Å
405	T	84	Confident	91.2	Very high	40 Å²	40	48.2 Å²	48.2	25%	0.245	26%	0.258	C	S	.	.	S	Bend	trans	-113.1	148.8	168	60.6	0	0	0	0	110.2	D407 A408 R477 S478	T405-D407 WeakPolarHBondContact CB-OD1 3.48Å; T405-D407 PolarHBondContact O-N 3.17Å; T405-D407 PolarHBondContact OG1-OD1 3.48Å; T405-A408 WeakPolarHBondContact O-CB 3.28Å; T405-A408 PolarHBondContact O-N 2.81Å; T405-A408 VanDerWaalsContact O-N 3.15Å; T405-R477 WeakPolarHBondContact OG1-CA 3.5Å; T405-S478 WeakPolarHBondContact CG2-OG 3.46Å; T405-S478 PolarHBondContact N-O 2.03Å; T405-S478 VanDerWaalsContact N-O 3.08Å; T405-S478 PolarHBondContact OG1-N 3.08Å; T405-S478 PolarHBondContact OG1-O 2.89Å
406	N	86.5	Confident	91.3	Very high	158 Å²	158	49.1 Å²	49.1	85%	0.845	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-27	-174.8	-69.2	-26.3	0	0	0	113.3	A408	N406-A408 VanDerWaalsContact C-N 3.32Å; N406-A408 PolarHBondContact O-N 2.94Å
407	D	84.7	Confident	91.5	Very high	55 Å²	55	51 Å²	51	29%	0.294	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	8.9	-180	65.6	-27.5	0	0	0	114.1	T405 D409 P410 Y445 R477	T405-D407 WeakPolarHBondContact CB-OD1 3.48Å; T405-D407 PolarHBondContact O-N 3.17Å; T405-D407 PolarHBondContact OG1-OD1 3.48Å; D407-D409 VanDerWaalsContact C-N 3.26Å; D407-D409 PolarHBondContact O-N 3.26Å; D407-P410 WeakPolarHBondContact O-CD 3.22Å; D407-Y445 WeakPolarHBondContact OD2-CE1 3.41Å; D407-Y445 PolarHBondContact OD2-OH 2.83Å; D407-R477 WeakPolarHBondContact O-CD 3.44Å; D407-R477 WeakPolarHBondContact OD2-CB 3.47Å
408	A	87.8	Confident	91.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.294	C	S	.	.			trans	-80.6	6.5	-176.2	0	0	0	0	0	115	K403 T405 N406 L411 C412 S478 A479	K403-A408 HydrophobicContact CB-CB 4.16Å; K403-A408 HydrophobicContact CG-CB 4.2Å; T405-A408 WeakPolarHBondContact O-CB 3.28Å; T405-A408 PolarHBondContact O-N 2.81Å; T405-A408 VanDerWaalsContact O-N 3.15Å; N406-A408 VanDerWaalsContact C-N 3.32Å; N406-A408 PolarHBondContact O-N 2.94Å; A408-L411 WeakPolarHBondContact O-CB 3.24Å; A408-L411 PolarHBondContact O-N 2.64Å; A408-L411 VanDerWaalsContact O-N 3.09Å; A408-C412 PolarHBondContact O-N 3.07Å; A408-C412 VanDerWaalsContact O-N 3.1Å; A408-S478 VanDerWaalsContact CB-O 3.24Å; A408-S478 WeakPolarHBondContact CB-O 3.26Å; A408-A479 HydrophobicContact CB-CB 4.19Å
409	D	91	Very high	91.4	Very high	68 Å²	68	55.4 Å²	55.4	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-50.7	-50.8	178.8	-88.1	-61.7	0	0	0	114.3	K403 D407 L411 C412 Q413	K403-D409 VanDerWaalsContact CE-CG 3.44Å; K403-D409 WeakPolarHBondContact CE-OD1 3.26Å; K403-D409 IonicContact NZ-OD1 3.68Å; K403-D409 PolarHBondContact NZ-OD1 3.38Å; K403-D409 IonicContact NZ-OD2 3.7Å; K403-D409 PolarHBondContact NZ-OD2 3.27Å; D407-D409 VanDerWaalsContact C-N 3.26Å; D407-D409 PolarHBondContact O-N 3.26Å; D409-L411 PolarHBondContact O-N 2.85Å; D409-C412 PolarHBondContact O-N 2.92Å; D409-C412 VanDerWaalsContact O-N 3.14Å; D409-Q413 WeakPolarHBondContact O-CG 3.29Å; D409-Q413 PolarHBondContact O-N 3.39Å
410	P	91.1	Very high	91.2	Very high	49 Å²	49	58.8 Å²	58.8	32%	0.318	31%	0.31	S	S	.	.	H	α-helix	trans	-63.5	-28.3	-178.7	-25.5	39	0	0	0	112.7	D407 T414	D407-P410 WeakPolarHBondContact O-CD 3.22Å; P410-T414 WeakPolarHBondContact O-CB 3.39Å; P410-T414 PolarHBondContact O-N 3.37Å; P410-T414 PolarHBondContact O-OG1 2.93Å
411	L	87.7	Confident	90.9	Very high	10 Å²	10	57.6 Å²	57.6	5%	0.052	31%	0.312	C	S	.	.	H	α-helix	trans	-71.4	-44.4	177.4	-161.8	128.8	0	0	0	110.5	A408 D409 T414 L415 R441 Q443 A479 I481	A408-L411 WeakPolarHBondContact O-CB 3.24Å; A408-L411 PolarHBondContact O-N 2.64Å; A408-L411 VanDerWaalsContact O-N 3.09Å; D409-L411 PolarHBondContact O-N 2.85Å; L411-T414 PolarHBondContact O-N 2.92Å; L411-L415 HydrophobicContact CD2-CD1 3.72Å; L411-L415 HydrophobicContact CG-CD1 3.96Å; L411-L415 WeakPolarHBondContact O-CB 3.3Å; L411-L415 WeakPolarHBondContact O-CG 3.45Å; L411-L415 PolarHBondContact O-N 3.41Å; L411-R441 HydrophobicContact CD2-CB 4.07Å; L411-Q443 HydrophobicContact CD1-CB 3.63Å; L411-A479 HydrophobicContact CD2-CB 3.38Å; L411-I481 HydrophobicContact CD2-CD1 4.49Å
412	C	92.7	Very high	90.7	Very high	17 Å²	17	59 Å²	59	12%	0.115	32%	0.32	C	S	.	.	H	α-helix	trans	-68.4	-36.8	175.7	-73.4	0	0	0	0	113.7	C401 A408 D409 T414 L415 A416	C401-C412 HydrophobicContact CB-CB 3.57Å; C401-C412 WeakPolarHBondContact CB-SG 3.34Å; C401-C412 WeakPolarHBondContact SG-CA 3.33Å; C401-C412 WeakPolarHBondContact SG-CB 3.49Å; C401-C412 CovalentContact SG-SG 2.04Å; C401-C412 PolarHBondContact SG-SG 2.9Å; A408-C412 PolarHBondContact O-N 3.07Å; A408-C412 VanDerWaalsContact O-N 3.1Å; D409-C412 PolarHBondContact O-N 2.92Å; D409-C412 VanDerWaalsContact O-N 3.14Å; C412-T414 PolarHBondContact O-N 2.88Å; C412-L415 PolarHBondContact O-N 3.1Å; C412-A416 WeakPolarHBondContact O-CB 3.24Å; C412-A416 PolarHBondContact O-N 2.81Å
413	Q	91.4	Very high	90.6	Very high	148 Å²	148	58.6 Å²	58.6	69%	0.692	33%	0.326	S	S	*	.	H	α-helix	trans	-61.9	-34	174.5	-71.8	173.6	4.7	0	0	112	D409	D409-Q413 WeakPolarHBondContact O-CG 3.29Å; D409-Q413 PolarHBondContact O-N 3.39Å
414	T	90.4	Very high	90.7	Very high	87 Å²	87	54.6 Å²	54.6	53%	0.534	31%	0.314	S	S	.	.	H	α-helix	trans	-79.7	-40.3	-179.2	-54.5	0	0	0	0	112.3	P410 L411 C412 K526	P410-T414 WeakPolarHBondContact O-CB 3.39Å; P410-T414 PolarHBondContact O-N 3.37Å; P410-T414 PolarHBondContact O-OG1 2.93Å; L411-T414 PolarHBondContact O-N 2.92Å; C412-T414 PolarHBondContact O-N 2.88Å; T414-K526 PolarHBondContact O-NZ 3.07Å
415	L	91.4	Very high	91	Very high	29 Å²	29	55.5 Å²	55.5	15%	0.152	31%	0.313	C	S	.	.	H	α-helix	trans	-100.8	-16.3	-169	-63.1	178.5	0	0	0	115	Q399 L411 C412 R441 I481	Q399-L415 PolarHBondContact OE1-O 2.93Å; L411-L415 HydrophobicContact CD2-CD1 3.72Å; L411-L415 HydrophobicContact CG-CD1 3.96Å; L411-L415 WeakPolarHBondContact O-CB 3.3Å; L411-L415 WeakPolarHBondContact O-CG 3.45Å; L411-L415 PolarHBondContact O-N 3.41Å; C412-L415 PolarHBondContact O-N 3.1Å; L415-R441 HydrophobicContact CD1-CB 4.19Å; L415-R441 HydrophobicContact CD1-CG 4.21Å; L415-I481 HydrophobicContact CB-CD1 3.9Å; L415-I481 HydrophobicContact CB-CG1 4.43Å; L415-I481 HydrophobicContact CD1-CD1 3.96Å; L415-I481 HydrophobicContact CD1-CG1 3.98Å
416	A	93.6	Very high	91.6	Very high	24 Å²	24	56.3 Å²	56.3	20%	0.198	32%	0.32	C	S	.	.			trans	-71.3	137	175.4	0	0	0	0	0	110.8	C401 C412 Y425	C401-A416 HydrophobicContact CB-CB 4.27Å; C412-A416 WeakPolarHBondContact O-CB 3.24Å; C412-A416 PolarHBondContact O-N 2.81Å; A416-Y425 HydrophobicContact CB-CE1 4.43Å; A416-Y425 WeakPolarHBondContact CB-OH 3.38Å
417	Q	95.2	Very high	91.9	Very high	40 Å²	40	49.9 Å²	49.9	19%	0.187	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-137.7	123	178.8	178.7	61	56.8	0	0	108.8	Y398 Q399 V525 K526	Y398-Q417 CarbonylContact C-O 3.25Å; Y398-Q417 WeakPolarHBondContact CA-O 3.28Å; Y398-Q417 WeakPolarHBondContact CB-O 3.17Å; Q399-Q417 HydrophobicContact CB-CB 4.06Å; Q399-Q417 HydrophobicContact CG-CB 4.22Å; Q399-Q417 PolarHBondContact N-O 3.11Å; Q399-Q417 PolarHBondContact O-N 3.31Å; Q417-V525 HydrophobicContact CG-CG1 3.73Å; Q417-K526 HydrophobicContact CB-CB 4.18Å; Q417-K526 HydrophobicContact CG-CB 4.14Å
418	K	95.5	Very high	92.2	Very high	108 Å²	108	54.6 Å²	54.6	47%	0.47	30%	0.3	S	S	.	.			trans	-85.3	153.6	175.4	-71	164.3	158.5	-152.3	0	110.3	I420 G423 G424 Y425	K418-I420 PolarHBondContact O-N 2.03Å; K418-G423 VanDerWaalsContact CD-O 3.23Å; K418-G423 WeakPolarHBondContact CD-O 3.4Å; K418-G423 WeakPolarHBondContact CE-O 3.24Å; K418-G423 PolarHBondContact NZ-O 2.94Å; K418-G423 VanDerWaalsContact NZ-O 3.11Å; K418-G424 WeakPolarHBondContact CA-O 3.32Å; K418-Y425 HydrophobicContact CG-CD1 4.29Å; K418-Y425 HydrophobicContact CG-CE1 3.86Å
419	N	94.3	Very high	92.1	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.011	34%	0.336	C	S	.	.			trans	-68.3	128	169.1	-172.1	-21.7	0	0	0	108.3	G395 Y398 A421 T422 G423 G424 S426	G395-N419 PolarHBondContact O-ND2 3.07Å; Y398-N419 HydrophobicContact CD1-CB 4.35Å; N419-A421 PolarHBondContact O-N 3.44Å; N419-A421 PolarHBondContact OD1-N 3Å; N419-T422 PolarHBondContact O-N 3.39Å; N419-G423 WeakPolarHBondContact O-CA 2.92Å; N419-G423 PolarHBondContact O-N 2.74Å; N419-G424 PolarHBondContact N-O 3.31Å; N419-S426 WeakPolarHBondContact CB-O 3.39Å; N419-S426 PolarHBondContact ND2-O 3.16Å
420	I	92.1	Very high	92	Very high	72 Å²	72	59.3 Å²	59.3	37%	0.369	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-38.8	-179.6	-64	178.6	0	0	0	110.6	K418 T422 Y498 I523 V525 V536	K418-I420 PolarHBondContact O-N 2.03Å; I420-T422 VanDerWaalsContact C-N 3.34Å; I420-T422 PolarHBondContact O-N 2.72Å; I420-Y498 WeakPolarHBondContact CB-OH 3.31Å; I420-Y498 WeakPolarHBondContact CG2-OH 3.43Å; I420-I523 HydrophobicContact CD1-CG2 4.28Å; I420-V525 HydrophobicContact CD1-CG2 3.36Å; I420-V525 HydrophobicContact CG1-CG2 4.19Å; I420-V536 HydrophobicContact CD1-CG2 3.97Å
421	A	88.1	Confident	92.1	Very high	46 Å²	46	57.6 Å²	57.6	38%	0.38	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-31.6	-174.8	0	0	0	0	0	113.5	N419 Y498	N419-A421 PolarHBondContact O-N 3.44Å; N419-A421 PolarHBondContact OD1-N 3Å; A421-Y498 WeakPolarHBondContact CA-OH 3.36Å; A421-Y498 HydrophobicContact CB-CE2 4.03Å; A421-Y498 WeakPolarHBondContact CB-OH 3.33Å; A421-Y498 PolarHBondContact N-OH 3.21Å
422	T	91.9	Very high	92.3	Very high	52 Å²	52	60.5 Å²	60.5	32%	0.319	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-14.4	-174.5	63	0	0	0	0	113.3	N419 I420 G424 S426 R428	N419-T422 PolarHBondContact O-N 3.39Å; I420-T422 VanDerWaalsContact C-N 3.34Å; I420-T422 PolarHBondContact O-N 2.72Å; T422-G424 PolarHBondContact O-N 2.74Å; T422-G424 PolarHBondContact OG1-N 3.07Å; T422-S426 WeakPolarHBondContact CG2-O 3.49Å; T422-S426 PolarHBondContact OG1-O 2.88Å; T422-S426 PolarHBondContact OG1-OG 2.79Å; T422-R428 HydrophobicContact CG2-CB 4.04Å
423	G	92.3	Very high	92.4	Very high	43 Å²	43	63.1 Å²	63.1	44%	0.443	36%	0.363	S	S	.	.	S	Bend	trans	64.6	12.2	-171.8	0	0	0	0	0	114	K418 N419	K418-G423 VanDerWaalsContact CD-O 3.23Å; K418-G423 WeakPolarHBondContact CD-O 3.4Å; K418-G423 WeakPolarHBondContact CE-O 3.24Å; K418-G423 PolarHBondContact NZ-O 2.94Å; K418-G423 VanDerWaalsContact NZ-O 3.11Å; N419-G423 WeakPolarHBondContact O-CA 2.92Å; N419-G423 PolarHBondContact O-N 2.74Å
424	G	94.3	Very high	92.5	Very high	18 Å²	18	57 Å²	57	19%	0.186	34%	0.335	C	S	.	.	S	Bend	trans	-138.7	-170.2	-174.1	0	0	0	0	0	113.5	K418 N419 T422 S426	K418-G424 WeakPolarHBondContact CA-O 3.32Å; N419-G424 PolarHBondContact N-O 3.31Å; T422-G424 PolarHBondContact O-N 2.74Å; T422-G424 PolarHBondContact OG1-N 3.07Å; G424-S426 VanDerWaalsContact C-N 3.32Å; G424-S426 PolarHBondContact O-N 2.79Å
425	Y	95.4	Very high	92.7	Very high	100 Å²	100	56 Å²	56	39%	0.392	33%	0.327	S	S	.	.	S	Bend	trans	-96.4	52.4	176.6	-54.8	-67.9	0	0	0	110.9	Y398 Q399 Q400 A416 K418	Y398-Y425 HydrophobicContact CD2-CD1 4.15Å; Y398-Y425 HydrophobicContact CD2-CG 4.5Å; Y398-Y425 WeakPolarHBondContact CE2-O 3.45Å; Q399-Y425 WeakPolarHBondContact O-CE1 3.32Å; Q400-Y425 HydrophobicContact CB-CD1 4.41Å; A416-Y425 HydrophobicContact CB-CE1 4.43Å; A416-Y425 WeakPolarHBondContact CB-OH 3.38Å; K418-Y425 HydrophobicContact CG-CD1 4.29Å; K418-Y425 HydrophobicContact CG-CE1 3.86Å
426	S	95.4	Very high	92.8	Very high	57 Å²	57	54.6 Å²	54.6	40%	0.399	32%	0.319	S	S	.	.	S	Bend	trans	-147.2	159.1	-175.8	61.4	0	0	0	0	112	N419 T422 G424	N419-S426 WeakPolarHBondContact CB-O 3.39Å; N419-S426 PolarHBondContact ND2-O 3.16Å; T422-S426 WeakPolarHBondContact CG2-O 3.49Å; T422-S426 PolarHBondContact OG1-O 2.88Å; T422-S426 PolarHBondContact OG1-OG 2.79Å; G424-S426 VanDerWaalsContact C-N 3.32Å; G424-S426 PolarHBondContact O-N 2.79Å
427	C	93.4	Very high	92.8	Very high	22 Å²	22	54.6 Å²	54.6	15%	0.149	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-89.8	145.7	171.1	-59.6	0	0	0	0	110.9	Y431 P433 C486	C427-Y431 WeakPolarHBondContact CB-O 3.41Å; C427-P433 WeakPolarHBondContact SG-CA 3.46Å; C427-C486 WeakPolarHBondContact CA-SG 3.29Å; C427-C486 HydrophobicContact CB-CB 3.8Å; C427-C486 WeakPolarHBondContact CB-SG 3.44Å; C427-C486 VanDerWaalsContact SG-CA 3.54Å; C427-C486 WeakPolarHBondContact SG-CB 3.19Å; C427-C486 CovalentContact SG-SG 2.03Å; C427-C486 PolarHBondContact SG-SG 2.58Å
428	R	91.1	Very high	92.7	Very high	154 Å²	154	54.4 Å²	54.4	58%	0.581	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-73.9	140.4	171.7	-174.9	-175.6	175.4	-179.7	0.7	109.3	T422 Y431	T422-R428 HydrophobicContact CG2-CB 4.04Å; R428-Y431 WeakPolarHBondContact O-CA 3.34Å; R428-Y431 VanDerWaalsContact O-CB 3.28Å; R428-Y431 WeakPolarHBondContact O-CB 3.3Å; R428-Y431 WeakPolarHBondContact O-CD2 3.41Å; R428-Y431 PolarHBondContact O-N 3.24Å
429	S	86.4	Confident	92.3	Very high	108 Å²	108	49.3 Å²	49.3	76%	0.755	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	133.9	169.7	-177.2	0	0	0	0	110.4
430	P	89.4	Confident	92	Very high	59 Å²	59	51.8 Å²	51.8	38%	0.383	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	cis	-95.4	13.6	12.2	37.8	-36.9	0	0	0	115.4	V488 P493	P430-V488 HydrophobicContact CB-CG2 4.49Å; P430-V488 HydrophobicContact CG-CG2 4.25Å; P430-P493 HydrophobicContact CG-CG 4.4Å
431	Y	91.2	Very high	91.6	Very high	13 Å²	13	49.4 Å²	49.4	5%	0.051	30%	0.296	C	S	.	.			trans	-76	141.9	-178.7	-58.6	-94.1	0	0	0	111.9	S393 G395 C427 R428 S487 V488 S496 G497	S393-Y431 PolarHBondContact OG-OH 3.45Å; G395-Y431 VanDerWaalsContact CA-CD1 3.43Å; C427-Y431 WeakPolarHBondContact CB-O 3.41Å; R428-Y431 WeakPolarHBondContact O-CA 3.34Å; R428-Y431 VanDerWaalsContact O-CB 3.28Å; R428-Y431 WeakPolarHBondContact O-CB 3.3Å; R428-Y431 WeakPolarHBondContact O-CD2 3.41Å; R428-Y431 PolarHBondContact O-N 3.24Å; Y431-S487 CarbonylContact C-O 3.58Å; Y431-S487 WeakPolarHBondContact CA-O 3.44Å; Y431-V488 HydrophobicContact CD1-CB 3.96Å; Y431-V488 HydrophobicContact CD1-CG1 4.15Å; Y431-V488 HydrophobicContact CE1-CB 4.17Å; Y431-V488 HydrophobicContact CE1-CG1 3.87Å; Y431-S496 PolarHBondContact OH-O 2.63Å; Y431-S496 PolarHBondContact OH-OG 3.3Å; Y431-G497 WeakPolarHBondContact OH-CA 3.47Å; Y431-G497 PolarHBondContact OH-N 3.45Å
432	S	92.4	Very high	91.4	Very high	71 Å²	71	51.2 Å²	51.2	50%	0.497	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	143	176.5	-63.3	0	0	0	0	111	S487	S432-S487 PolarHBondContact N-O 3.36Å; S432-S487 PolarHBondContact O-N 2.75Å; S432-S487 VanDerWaalsContact O-N 3.08Å
433	P	94.6	Very high	90.8	Very high	72 Å²	72	52.6 Å²	52.6	47%	0.468	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	139.6	178.7	30.8	-33.9	0	0	0	111.4	Y398 C427 Y484	Y398-P433 HydrophobicContact CE1-CB 4.41Å; Y398-P433 WeakPolarHBondContact OH-CB 3.03Å; C427-P433 WeakPolarHBondContact SG-CA 3.46Å; P433-Y484 HydrophobicContact CB-CD1 4.27Å
434	T	94.4	Very high	89.8	Confident	20 Å²	20	51.7 Å²	51.7	12%	0.123	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.6	171.1	-58.9	0	0	0	0	108.7	L436 Y484 W485 S558 P561	T434-L436 PolarHBondContact O-N 2.79Å; T434-Y484 VanDerWaalsContact O-CA 3.31Å; T434-Y484 WeakPolarHBondContact O-CA 3.27Å; T434-W485 PolarHBondContact N-O 2.93Å; T434-W485 PolarHBondContact O-N 2.9Å; T434-S558 WeakPolarHBondContact CG2-OG 3Å; T434-P561 HydrophobicContact CG2-CG 3.95Å; T434-P561 WeakPolarHBondContact OG1-CG 3.19Å
435	L	94.6	Very high	88.9	Confident	66 Å²	66	53.3 Å²	53.3	35%	0.346	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	114.6	175.5	177.6	65.7	0	0	0	108.5	N482 Y484 S558	L435-N482 HydrophobicContact CD1-CB 3.97Å; L435-Y484 HydrophobicContact CB-CD1 4Å; L435-Y484 HydrophobicContact CB-CE1 3.62Å; L435-Y484 HydrophobicContact CD1-CD1 4.26Å; L435-Y484 HydrophobicContact CD1-CD2 4.41Å; L435-Y484 HydrophobicContact CD1-CE1 3.8Å; L435-Y484 HydrophobicContact CD1-CE2 3.99Å; L435-Y484 HydrophobicContact CG-CE1 4.29Å; L435-S558 WeakPolarHBondContact O-CB 3.33Å; L435-S558 PolarHBondContact O-OG 3.28Å
436	L	93.5	Very high	87.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-42.8	179.2	-173.5	61.1	0	0	0	111.4	T434 T483 F527 L553 S555 I586	T434-L436 PolarHBondContact O-N 2.79Å; L436-T483 WeakPolarHBondContact CB-O 3.36Å; L436-T483 PolarHBondContact N-O 2.76Å; L436-F527 HydrophobicContact CD2-CE2 3.8Å; L436-F527 HydrophobicContact CD2-CZ 3.7Å; L436-L553 HydrophobicContact CD1-CB 3.98Å; L436-L553 HydrophobicContact CD2-CB 4.16Å; L436-L553 HydrophobicContact CD2-CD1 4.36Å; L436-L553 HydrophobicContact CD2-CD2 4.18Å; L436-L553 HydrophobicContact CD2-CG 4.47Å; L436-S555 WeakPolarHBondContact O-CB 3.49Å; L436-S555 PolarHBondContact O-OG 2.85Å; L436-I586 HydrophobicContact CD1-CG2 4.36Å; L436-I586 HydrophobicContact CD2-CG2 3.72Å; L436-I586 HydrophobicContact CG-CG2 4.11Å
437	R	93	Very high	86.6	Confident	23 Å²	23	53 Å²	53	9%	0.087	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	138.4	-176.9	-177.5	62.5	172.2	110.1	7	111.9	N482 T483 E557 S581 I586	R437-N482 WeakPolarHBondContact O-CA 3.35Å; R437-T483 PolarHBondContact N-O 2.88Å; R437-T483 PolarHBondContact O-N 3.43Å; R437-E557 WeakPolarHBondContact CA-OE2 3.33Å; R437-E557 IonicContact CZ-OE1 3.79Å; R437-E557 IonicContact NH1-OE1 3.5Å; R437-E557 PolarHBondContact NH1-OE1 3.45Å; R437-E557 IonicContact NH1-OE2 3.85Å; R437-S581 PolarHBondContact NH2-O 3.23Å; R437-I586 HydrophobicContact CB-CD1 4.23Å; R437-I586 HydrophobicContact CG-CD1 4.27Å
438	S	92.6	Very high	85.9	Confident	36 Å²	36	57 Å²	57	25%	0.252	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	108.6	169.7	163.4	0	0	0	0	111.9	I481 N482 E557	S438-I481 WeakPolarHBondContact CA-O 3.45Å; S438-N482 VanDerWaalsContact CB-OD1 3.3Å; S438-N482 WeakPolarHBondContact CB-OD1 2.97Å; S438-N482 PolarHBondContact OG-OD1 2.81Å; S438-E557 PolarHBondContact N-OE2 2.9Å
439	E	89	Confident	85	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.009	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	150.3	-174.4	61	-172.1	167.5	0	0	113.5	R441 R480 I481 S529 S581	E439-R441 HydrophobicContact CG-CG 4.41Å; E439-R441 IonicContact OE1-NE 3.38Å; E439-R441 IonicContact OE1-NH2 2.68Å; E439-R441 IonicContact OE2-CZ 2.71Å; E439-R441 VanDerWaalsContact OE2-CZ 3.31Å; E439-R441 IonicContact OE2-NE 3.44Å; E439-R441 PolarHBondContact OE2-NE 3.21Å; E439-R441 VanDerWaalsContact OE2-NE 3.13Å; E439-R441 IonicContact OE2-NH2 2.7Å; E439-R441 PolarHBondContact OE2-NH2 2.87Å; E439-R480 CarbonylContact O-C 3.59Å; E439-R480 WeakPolarHBondContact O-CA 3.37Å; E439-I481 HydrophobicContact CG-CB 4Å; E439-I481 PolarHBondContact N-O 3.34Å; E439-I481 PolarHBondContact O-N 2.7Å; E439-S529 WeakPolarHBondContact OE1-CB 3.07Å; E439-S529 PolarHBondContact OE1-N 2.94Å; E439-S529 PolarHBondContact OE1-OG 2.9Å; E439-S581 PolarHBondContact OE2-OG 2.98Å
440	V	86.9	Confident	84.7	Confident	53 Å²	53	51.9 Å²	51.9	32%	0.321	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.4	174.5	177.2	0	0	0	0	109.4	L404 R480	L404-V440 HydrophobicContact CD1-CB 4.5Å; L404-V440 HydrophobicContact CD1-CG1 3.67Å; L404-V440 HydrophobicContact CD1-CG2 4.05Å; V440-R480 HydrophobicContact CG2-CB 4.44Å
441	R	84.8	Confident	84.2	Confident	23 Å²	23	53.2 Å²	53.2	9%	0.087	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.5	179.9	-66.1	-59.1	-179.4	148.8	-1.8	110.8	L411 L415 E439 S478 A479 I481 S529 D530 S581	L411-R441 HydrophobicContact CD2-CB 4.07Å; L415-R441 HydrophobicContact CD1-CB 4.19Å; L415-R441 HydrophobicContact CD1-CG 4.21Å; E439-R441 HydrophobicContact CG-CG 4.41Å; E439-R441 IonicContact OE1-NE 3.38Å; E439-R441 IonicContact OE1-NH2 2.68Å; E439-R441 IonicContact OE2-CZ 2.71Å; E439-R441 VanDerWaalsContact OE2-CZ 3.31Å; E439-R441 IonicContact OE2-NE 3.44Å; E439-R441 PolarHBondContact OE2-NE 3.21Å; E439-R441 VanDerWaalsContact OE2-NE 3.13Å; E439-R441 IonicContact OE2-NH2 2.7Å; E439-R441 PolarHBondContact OE2-NH2 2.87Å; R441-S478 VanDerWaalsContact O-CA 3.25Å; R441-S478 WeakPolarHBondContact O-CA 3.47Å; R441-A479 PolarHBondContact N-O 3.17Å; R441-A479 PolarHBondContact O-N 3.01Å; R441-I481 HydrophobicContact CB-CG1 4.5Å; R441-I481 HydrophobicContact CG-CG1 4.09Å; R441-S529 VanDerWaalsContact NE-CB 3.33Å; R441-D530 IonicContact CZ-OD1 2.6Å; R441-D530 IonicContact CZ-OD2 3.3Å; R441-D530 VanDerWaalsContact NH1-CG 3.34Å; R441-D530 IonicContact NH1-OD1 2.72Å; R441-D530 PolarHBondContact NH1-OD1 2.77Å; R441-D530 IonicContact NH1-OD2 2.7Å; R441-D530 PolarHBondContact NH1-OD2 2.98Å; R441-D530 IonicContact NH2-OD1 3.68Å; R441-D530 PolarHBondContact NH2-OD1 3.4Å; R441-D530 IonicContact NH2-OD2 3.6Å; R441-D530 PolarHBondContact NH2-OD2 3.07Å; R441-S581 PolarHBondContact NH2-OG 2.04Å
442	Q	82.1	Confident	83.8	Confident	83 Å²	83	57 Å²	57	39%	0.388	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.7	-179.7	-71.5	179.4	-26.9	0	0	109.3	V476 R477	Q442-V476 HydrophobicContact CB-CG1 3.85Å; Q442-V476 HydrophobicContact CG-CG1 4.14Å; Q442-R477 WeakPolarHBondContact CA-O 3.4Å
443	Q	80.1	Confident	83.2	Confident	82 Å²	82	56.3 Å²	56.3	38%	0.383	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	122.3	173.7	-175.2	177.7	27.2	0	0	109	L411 R477	L411-Q443 HydrophobicContact CD1-CB 3.63Å; Q443-R477 HydrophobicContact CB-CG 4.03Å; Q443-R477 VanDerWaalsContact CD-NH2 3.32Å; Q443-R477 PolarHBondContact N-O 3.16Å; Q443-R477 WeakPolarHBondContact O-CG 3.45Å; Q443-R477 PolarHBondContact O-N 3.33Å
444	G	72.2	Confident	82.7	Confident	24 Å²	24	60.2 Å²	60.2	25%	0.247	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	139.8	171	0	0	0	0	0	110.7	Y474 R475 L613	G444-Y474 WeakPolarHBondContact CA-OH 3.42Å; G444-R475 WeakPolarHBondContact CA-O 3.36Å; G444-L613 VanDerWaalsContact N-CD1 3.3Å
445	Y	73.9	Confident	82.1	Confident	51 Å²	51	63.3 Å²	63.3	20%	0.2	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	152.4	172.2	73	-80	0	0	0	109.6	D407 E447 R475 R477	D407-Y445 WeakPolarHBondContact OD2-CE1 3.41Å; D407-Y445 PolarHBondContact OD2-OH 2.83Å; Y445-E447 HydrophobicContact CD2-CB 4.42Å; Y445-E447 HydrophobicContact CE2-CB 3.92Å; Y445-E447 HydrophobicContact CE2-CG 4.46Å; Y445-E447 PolarHBondContact OH-OE2 3.5Å; Y445-R475 HydrophobicContact CD1-CB 4.18Å; Y445-R475 HydrophobicContact CE1-CB 3.51Å; Y445-R475 HydrophobicContact CE2-CB 4.19Å; Y445-R475 PolarHBondContact N-O 3.15Å; Y445-R475 PolarHBondContact O-N 3.21Å; Y445-R475 VanDerWaalsContact O-O 3.11Å; Y445-R475 VanDerWaalsContact OH-CD 3.23Å; Y445-R475 WeakPolarHBondContact OH-CD 3.42Å; Y445-R477 HydrophobicContact CD1-CG 4.32Å; Y445-R477 HydrophobicContact CE1-CB 4.22Å; Y445-R477 HydrophobicContact CE1-CG 4.49Å
446	T	71.4	Confident	81.3	Confident	87 Å²	87	68.6 Å²	68.6	53%	0.534	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.3	177.1	-55.9	0	0	0	0	108.5	N472	T446-N472 HydrophobicContact CG2-CB 3.64Å
447	E	71.8	Confident	80.7	Confident	65 Å²	65	69.6 Å²	69.6	30%	0.304	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.2	173.6	-165	174.7	154.1	0	0	108.8	Y445 Y449 L473 R475	Y445-E447 HydrophobicContact CD2-CB 4.42Å; Y445-E447 HydrophobicContact CE2-CB 3.92Å; Y445-E447 HydrophobicContact CE2-CG 4.46Å; Y445-E447 PolarHBondContact OH-OE2 3.5Å; E447-Y449 PolarHBondContact O-N 3.22Å; E447-L473 PolarHBondContact N-O 3.03Å; E447-L473 PolarHBondContact O-N 3.22Å; E447-R475 VanDerWaalsContact CD-NH1 3.31Å; E447-R475 IonicContact OE1-NH1 3.67Å; E447-R475 PolarHBondContact OE1-NH1 3.12Å; E447-R475 VanDerWaalsContact OE2-CD 3.29Å; E447-R475 WeakPolarHBondContact OE2-CD 3.48Å; E447-R475 IonicContact OE2-CZ 2.92Å; E447-R475 IonicContact OE2-NE 3.47Å; E447-R475 IonicContact OE2-NH1 2.77Å; E447-R475 PolarHBondContact OE2-NH1 3.28Å
448	N	79	Confident	79.8	Confident	104 Å²	104	71 Å²	71	56%	0.556	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	102.4	176.9	-156.5	-0.6	0	0	0	108.3	N472	N448-N472 PolarHBondContact OD1-OD1 2.87Å
449	Y	71.6	Confident	78.2	Confident	107 Å²	107	78.1 Å²	78.1	42%	0.42	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	112.2	-177.6	-179.4	-99.8	0	0	0	109.7	E447 Y451 C470 Q471	E447-Y449 PolarHBondContact O-N 3.22Å; Y449-Y451 AromaticContact CD1-CD1 3.96Å; Y449-Y451 HydrophobicContact CD1-CD1 3.96Å; Y449-Y451 AromaticContact CE1-CD1 3.66Å; Y449-Y451 HydrophobicContact CE1-CD1 3.66Å; Y449-Y451 HydrophobicContact CE1-CG 4.23Å; Y449-C470 WeakPolarHBondContact O-CA 3.41Å; Y449-Q471 HydrophobicContact CD1-CG 4.22Å; Y449-Q471 PolarHBondContact N-O 3.3Å; Y449-Q471 PolarHBondContact O-N 2.9Å
450	C	79.6	Confident	77.3	Confident	48 Å²	48	83.8 Å²	83.8	32%	0.324	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.5	177	-58.7	0	0	0	0	110.6	Q468 N469 C470	C450-Q468 HydrophobicContact CB-CG 3.94Å; C450-N469 WeakPolarHBondContact CA-O 3.34Å; C450-C470 HydrophobicContact CB-CB 4.1Å; C450-C470 WeakPolarHBondContact CB-SG 3.22Å; C450-C470 WeakPolarHBondContact SG-CB 3.32Å; C450-C470 CovalentContact SG-SG 2.04Å; C450-C470 PolarHBondContact SG-SG 3.29Å
451	Y	79	Confident	76.3	Confident	87 Å²	87	89.9 Å²	89.9	34%	0.341	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	153.3	172.5	63.3	-84.5	0	0	0	110.5	Y449 V453 N469	Y449-Y451 AromaticContact CD1-CD1 3.96Å; Y449-Y451 HydrophobicContact CD1-CD1 3.96Å; Y449-Y451 AromaticContact CE1-CD1 3.66Å; Y449-Y451 HydrophobicContact CE1-CD1 3.66Å; Y449-Y451 HydrophobicContact CE1-CG 4.23Å; Y451-V453 HydrophobicContact CD2-CG2 3.75Å; Y451-V453 HydrophobicContact CE2-CG2 3.4Å; Y451-V453 VanDerWaalsContact CE2-CG2 3.4Å; Y451-N469 HydrophobicContact CE2-CB 4.46Å; Y451-N469 PolarHBondContact N-O 3.33Å; Y451-N469 PolarHBondContact O-N 3.48Å; Y451-N469 PolarHBondContact OH-ND2 2.83Å
452	D	83.6	Confident	75.4	Confident	92 Å²	92	95.6 Å²	95.6	49%	0.492	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	123.4	-175.5	-169.2	4.3	0	0	0	111.2	H466 R467	D452-H466 WeakPolarHBondContact OD1-CB 3.4Å; D452-H466 IonicContact OD1-CG 3.81Å; D452-H466 IonicContact OD1-ND1 3.12Å; D452-H466 PolarHBondContact OD1-ND1 2.9Å; D452-H466 IonicContact OD2-CE1 2.72Å; D452-H466 IonicContact OD2-CG 3.57Å; D452-H466 IonicContact OD2-ND1 3.88Å; D452-H466 PolarHBondContact OD2-ND1 3.41Å; D452-R467 PolarHBondContact OD1-N 2.88Å
453	V	80.6	Confident	75.1	Confident	58 Å²	58	98.9 Å²	98.9	35%	0.352	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116.7	179.7	-175.9	0	0	0	0	110	Y451 R467 N469	Y451-V453 HydrophobicContact CD2-CG2 3.75Å; Y451-V453 HydrophobicContact CE2-CG2 3.4Å; Y451-V453 VanDerWaalsContact CE2-CG2 3.4Å; V453-R467 PolarHBondContact N-O 3.4Å; V453-R467 PolarHBondContact O-N 2.94Å; V453-N469 HydrophobicContact CG2-CB 4.02Å
454	K	84.3	Confident	75.1	Confident	153 Å²	153	99.3 Å²	99.3	67%	0.665	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	129	173.1	-65.3	179	-179.6	177.2	0	110.1	T464 C465 H466	K454-T464 HydrophobicContact CB-CG2 4.01Å; K454-T464 HydrophobicContact CG-CG2 4.36Å; K454-C465 WeakPolarHBondContact CA-O 3.37Å; K454-H466 VanDerWaalsContact CE-CE1 3.45Å; K454-H466 WeakPolarHBondContact CE-CE1 3.16Å
455	H	80.8	Confident	75.6	Confident	85 Å²	85	100.5 Å²	100.5	39%	0.394	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.2	173.3	65.5	-74.9	0	0	0	110.9	C465	H455-C465 PolarHBondContact N-O 3.04Å; H455-C465 PolarHBondContact ND1-O 3.25Å; H455-C465 PolarHBondContact O-N 3.31Å
456	R	77.8	Confident	76.1	Confident	177 Å²	177	103.1 Å²	103.1	67%	0.668	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	140.1	176.8	-66.3	-170.8	179.3	-167.2	1.7	110.5	W461 K463	R456-W461 HydrophobicContact CB-CB 4Å; R456-W461 HydrophobicContact CB-CE3 3.96Å; R456-W461 WeakPolarHBondContact CD-O 3.3Å; R456-W461 VanDerWaalsContact O-CE3 3.32Å; R456-K463 CarbonylContact C-O 3.5Å; R456-K463 WeakPolarHBondContact CA-O 3.47Å
457	C	79.8	Confident	76.6	Confident	22 Å²	22	107.3 Å²	107.3	15%	0.149	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	170.7	-175.4	65.5	0	0	0	0	111.6	K463 C465	C457-K463 PolarHBondContact N-O 2.95Å; C457-K463 WeakPolarHBondContact O-CB 3.33Å; C457-K463 PolarHBondContact O-N 2.9Å; C457-K463 PolarHBondContact SG-O 2.85Å; C457-C465 HydrophobicContact CB-CB 3.7Å; C457-C465 WeakPolarHBondContact CB-SG 3.41Å; C457-C465 WeakPolarHBondContact SG-CB 3.19Å; C457-C465 PolarHBondContact SG-N 2.88Å; C457-C465 VanDerWaalsContact SG-N 3.36Å; C457-C465 CovalentContact SG-SG 2.02Å; C457-C465 PolarHBondContact SG-SG 2.88Å
458	G	75.8	Confident	77.1	Confident	53 Å²	53	110.7 Å²	110.7	55%	0.546	53%	0.53	S	S	.	.	S	Bend	trans	83.7	178	179.1	0	0	0	0	0	114.7	L460 W461	G458-L460 PolarHBondContact O-N 3.15Å; G458-W461 PolarHBondContact O-N 3.28Å; G458-W461 VanDerWaalsContact O-N 3.11Å
459	F	59.3	Low	77.1	Confident	185 Å²	185	109.1 Å²	109.1	81%	0.811	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-58.9	124.6	178.1	-171.5	-104.4	0	0	0	109.8	W461	F459-W461 VanDerWaalsContact C-N 3.33Å; F459-W461 PolarHBondContact O-N 3.46Å
460	L	68.3	Low	77.2	Confident	120 Å²	120	107 Å²	107	63%	0.628	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	62.6	21.4	-175.3	-63.1	162.7	0	0	0	116.5	G458 L462	G458-L460 PolarHBondContact O-N 3.15Å; L460-L462 HydrophobicContact CB-CD1 4.05Å; L460-L462 HydrophobicContact CB-CG 4.13Å; L460-L462 PolarHBondContact O-N 3.34Å
461	W	66.1	Low	76.5	Confident	182 Å²	182	109 Å²	109	69%	0.689	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	62.1	22.3	176.5	-50.3	90.8	0	0	0	114.8	R456 G458 F459	R456-W461 HydrophobicContact CB-CB 4Å; R456-W461 HydrophobicContact CB-CE3 3.96Å; R456-W461 WeakPolarHBondContact CD-O 3.3Å; R456-W461 VanDerWaalsContact O-CE3 3.32Å; G458-W461 PolarHBondContact O-N 3.28Å; G458-W461 VanDerWaalsContact O-N 3.11Å; F459-W461 VanDerWaalsContact C-N 3.33Å; F459-W461 PolarHBondContact O-N 3.46Å
462	L	67.1	Low	75.9	Confident	143 Å²	143	110.5 Å²	110.5	75%	0.749	54%	0.54	S	S	*	.			trans	-83	-9.9	-173	-68.7	169.1	0	0	0	114.3	L460	L460-L462 HydrophobicContact CB-CD1 4.05Å; L460-L462 HydrophobicContact CB-CG 4.13Å; L460-L462 PolarHBondContact O-N 3.34Å
463	K	75.5	Confident	74.8	Confident	152 Å²	152	109.2 Å²	109.2	66%	0.661	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	147.3	177.1	-62.7	-173.9	177.6	-175.1	0	110.7	R456 C457	R456-K463 CarbonylContact C-O 3.5Å; R456-K463 WeakPolarHBondContact CA-O 3.47Å; C457-K463 PolarHBondContact N-O 2.95Å; C457-K463 WeakPolarHBondContact O-CB 3.33Å; C457-K463 PolarHBondContact O-N 2.9Å; C457-K463 PolarHBondContact SG-O 2.85Å
464	T	79.6	Confident	73.8	Confident	90 Å²	90	112.4 Å²	112.4	55%	0.552	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	113.9	171.4	-53.7	0	0	0	0	108.3	K454	K454-T464 HydrophobicContact CB-CG2 4.01Å; K454-T464 HydrophobicContact CG-CG2 4.36Å
465	C	83.3	Confident	73	Confident	49 Å²	49	109.8 Å²	109.8	33%	0.331	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	155.8	173.6	-73.1	0	0	0	0	110.5	K454 H455 C457	K454-C465 WeakPolarHBondContact CA-O 3.37Å; H455-C465 PolarHBondContact N-O 3.04Å; H455-C465 PolarHBondContact ND1-O 3.25Å; H455-C465 PolarHBondContact O-N 3.31Å; C457-C465 HydrophobicContact CB-CB 3.7Å; C457-C465 WeakPolarHBondContact CB-SG 3.41Å; C457-C465 WeakPolarHBondContact SG-CB 3.19Å; C457-C465 PolarHBondContact SG-N 2.88Å; C457-C465 VanDerWaalsContact SG-N 3.36Å; C457-C465 CovalentContact SG-SG 2.02Å; C457-C465 PolarHBondContact SG-SG 2.88Å
466	H	83.9	Confident	72.5	Confident	107 Å²	107	107.9 Å²	107.9	50%	0.495	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.4	178.2	-72.6	-105.5	0	0	0	108.7	D452 K454	D452-H466 WeakPolarHBondContact OD1-CB 3.4Å; D452-H466 IonicContact OD1-CG 3.81Å; D452-H466 IonicContact OD1-ND1 3.12Å; D452-H466 PolarHBondContact OD1-ND1 2.9Å; D452-H466 IonicContact OD2-CE1 2.72Å; D452-H466 IonicContact OD2-CG 3.57Å; D452-H466 IonicContact OD2-ND1 3.88Å; D452-H466 PolarHBondContact OD2-ND1 3.41Å; K454-H466 VanDerWaalsContact CE-CE1 3.45Å; K454-H466 WeakPolarHBondContact CE-CE1 3.16Å
467	R	82.1	Confident	72.6	Confident	174 Å²	174	101.3 Å²	101.3	66%	0.657	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	122.6	172.3	179.8	179.3	177	-179.4	-0.4	107.8	D452 V453 N469	D452-R467 PolarHBondContact OD1-N 2.88Å; V453-R467 PolarHBondContact N-O 3.4Å; V453-R467 PolarHBondContact O-N 2.94Å; R467-N469 PolarHBondContact O-N 3.28Å
468	Q	83	Confident	72.9	Confident	137 Å²	137	101 Å²	101	64%	0.64	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	119.3	173.8	-163.6	169.6	-4.5	0	0	109	C450	C450-Q468 HydrophobicContact CB-CG 3.94Å
469	N	77.2	Confident	73.6	Confident	71 Å²	71	98.5 Å²	98.5	38%	0.38	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.4	173.3	-161.3	15.8	0	0	0	108.4	C450 Y451 V453 R467	C450-N469 WeakPolarHBondContact CA-O 3.34Å; Y451-N469 HydrophobicContact CE2-CB 4.46Å; Y451-N469 PolarHBondContact N-O 3.33Å; Y451-N469 PolarHBondContact O-N 3.48Å; Y451-N469 PolarHBondContact OH-ND2 2.83Å; V453-N469 HydrophobicContact CG2-CB 4.02Å; R467-N469 PolarHBondContact O-N 3.28Å
470	C	75.1	Confident	75.2	Confident	62 Å²	62	95.1 Å²	95.1	42%	0.419	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.7	-179	-62.3	0	0	0	0	109.5	Y449 C450	Y449-C470 WeakPolarHBondContact O-CA 3.41Å; C450-C470 HydrophobicContact CB-CB 4.1Å; C450-C470 WeakPolarHBondContact CB-SG 3.22Å; C450-C470 WeakPolarHBondContact SG-CB 3.32Å; C450-C470 CovalentContact SG-SG 2.04Å; C450-C470 PolarHBondContact SG-SG 3.29Å
471	Q	65.3	Low	76.4	Confident	91 Å²	91	89.4 Å²	89.4	43%	0.425	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.8	172.5	64.2	-175.1	11.2	0	0	109.5	Y449 L473	Y449-Q471 HydrophobicContact CD1-CG 4.22Å; Y449-Q471 PolarHBondContact N-O 3.3Å; Y449-Q471 PolarHBondContact O-N 2.9Å; Q471-L473 PolarHBondContact O-N 2.94Å
472	N	66.1	Low	77.8	Confident	118 Å²	118	81.9 Å²	81.9	63%	0.631	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	109.5	171.5	-74.3	-40.3	0	0	0	108.3	T446 N448	T446-N472 HydrophobicContact CG2-CB 3.64Å; N448-N472 PolarHBondContact OD1-OD1 2.87Å
473	L	60.2	Low	79.1	Confident	64 Å²	64	75 Å²	75	34%	0.335	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	120.5	176	-171	68.6	0	0	0	108.8	E447 Q471 R475	E447-L473 PolarHBondContact N-O 3.03Å; E447-L473 PolarHBondContact O-N 3.22Å; Q471-L473 PolarHBondContact O-N 2.94Å; L473-R475 HydrophobicContact CD2-CG 4.04Å; L473-R475 VanDerWaalsContact CD2-NE 3.29Å; L473-R475 HydrophobicContact CG-CG 4.16Å; L473-R475 PolarHBondContact O-N 3.27Å
474	Y	60	Low	80.1	Confident	125 Å²	125	70 Å²	70	49%	0.49	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	117.6	172	-170.2	-99.2	0	0	0	109.2	G444 V476	G444-Y474 WeakPolarHBondContact CA-OH 3.42Å; Y474-V476 HydrophobicContact CD1-CG2 4.38Å; Y474-V476 HydrophobicContact CE1-CG2 3.88Å
475	R	66.1	Low	80.8	Confident	99 Å²	99	65.7 Å²	65.7	37%	0.374	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	156.2	176.9	-72.4	-173.5	173.9	171	-1.2	110.1	G444 Y445 E447 L473	G444-R475 WeakPolarHBondContact CA-O 3.36Å; Y445-R475 HydrophobicContact CD1-CB 4.18Å; Y445-R475 HydrophobicContact CE1-CB 3.51Å; Y445-R475 HydrophobicContact CE2-CB 4.19Å; Y445-R475 PolarHBondContact N-O 3.15Å; Y445-R475 PolarHBondContact O-N 3.21Å; Y445-R475 VanDerWaalsContact O-O 3.11Å; Y445-R475 VanDerWaalsContact OH-CD 3.23Å; Y445-R475 WeakPolarHBondContact OH-CD 3.42Å; E447-R475 VanDerWaalsContact CD-NH1 3.31Å; E447-R475 IonicContact OE1-NH1 3.67Å; E447-R475 PolarHBondContact OE1-NH1 3.12Å; E447-R475 VanDerWaalsContact OE2-CD 3.29Å; E447-R475 WeakPolarHBondContact OE2-CD 3.48Å; E447-R475 IonicContact OE2-CZ 2.92Å; E447-R475 IonicContact OE2-NE 3.47Å; E447-R475 IonicContact OE2-NH1 2.77Å; E447-R475 PolarHBondContact OE2-NH1 3.28Å; L473-R475 HydrophobicContact CD2-CG 4.04Å; L473-R475 VanDerWaalsContact CD2-NE 3.29Å; L473-R475 HydrophobicContact CG-CG 4.16Å; L473-R475 PolarHBondContact O-N 3.27Å
476	V	71.3	Confident	81.3	Confident	44 Å²	44	63.4 Å²	63.4	27%	0.267	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	119.1	177.5	-178.3	0	0	0	0	108	Q442 Y474 L613	Q442-V476 HydrophobicContact CB-CG1 3.85Å; Q442-V476 HydrophobicContact CG-CG1 4.14Å; Y474-V476 HydrophobicContact CD1-CG2 4.38Å; Y474-V476 HydrophobicContact CE1-CG2 3.88Å; V476-L613 HydrophobicContact CG1-CD1 4.33Å; V476-L613 HydrophobicContact CG2-CB 4.08Å; V476-L613 HydrophobicContact CG2-CD1 4.36Å
477	R	79.8	Confident	81.7	Confident	39 Å²	39	58.5 Å²	58.5	15%	0.147	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	149.6	170.9	63.2	-176.9	169.1	-150.8	-2.1	110.6	T405 D407 Q442 Q443 Y445	T405-R477 WeakPolarHBondContact OG1-CA 3.5Å; D407-R477 WeakPolarHBondContact O-CD 3.44Å; D407-R477 WeakPolarHBondContact OD2-CB 3.47Å; Q442-R477 WeakPolarHBondContact CA-O 3.4Å; Q443-R477 HydrophobicContact CB-CG 4.03Å; Q443-R477 VanDerWaalsContact CD-NH2 3.32Å; Q443-R477 PolarHBondContact N-O 3.16Å; Q443-R477 WeakPolarHBondContact O-CG 3.45Å; Q443-R477 PolarHBondContact O-N 3.33Å; Y445-R477 HydrophobicContact CD1-CG 4.32Å; Y445-R477 HydrophobicContact CE1-CB 4.22Å; Y445-R477 HydrophobicContact CE1-CG 4.49Å
478	S	84.9	Confident	82	Confident	17 Å²	17	50.8 Å²	50.8	12%	0.119	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	144.4	-178.5	65.6	0	0	0	0	114.1	L404 T405 A408 R441	L404-S478 WeakPolarHBondContact CB-O 3.31Å; L404-S478 WeakPolarHBondContact CB-OG 3.35Å; L404-S478 PolarHBondContact N-O 3.28Å; T405-S478 WeakPolarHBondContact CG2-OG 3.46Å; T405-S478 PolarHBondContact N-O 2.03Å; T405-S478 VanDerWaalsContact N-O 3.08Å; T405-S478 PolarHBondContact OG1-N 3.08Å; T405-S478 PolarHBondContact OG1-O 2.89Å; A408-S478 VanDerWaalsContact CB-O 3.24Å; A408-S478 WeakPolarHBondContact CB-O 3.26Å; R441-S478 VanDerWaalsContact O-CA 3.25Å; R441-S478 WeakPolarHBondContact O-CA 3.47Å
479	A	90.6	Very high	81.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	154.8	172.3	0	0	0	0	0	110.9	C401 T402 A408 L411 R441	C401-A479 VanDerWaalsContact SG-CB 3.55Å; T402-A479 CarbonylContact O-C 3.54Å; T402-A479 VanDerWaalsContact O-CA 3.32Å; T402-A479 WeakPolarHBondContact O-CA 3.1Å; T402-A479 WeakPolarHBondContact O-CB 3.34Å; A408-A479 HydrophobicContact CB-CB 4.19Å; L411-A479 HydrophobicContact CD2-CB 3.38Å; R441-A479 PolarHBondContact N-O 3.17Å; R441-A479 PolarHBondContact O-N 3.01Å
480	R	93.4	Very high	81.3	Confident	114 Å²	114	49.4 Å²	49.4	43%	0.43	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.9	172.2	173.1	-177.1	-60.8	166.5	1.4	110.1	T402 L404 E439 V440	T402-R480 PolarHBondContact N-O 2.94Å; T402-R480 PolarHBondContact O-N 3.41Å; T402-R480 WeakPolarHBondContact OG1-CB 3.47Å; T402-R480 PolarHBondContact OG1-O 3.48Å; L404-R480 HydrophobicContact CD1-CB 4.28Å; L404-R480 HydrophobicContact CD2-CB 4.32Å; L404-R480 HydrophobicContact CG-CB 4.33Å; E439-R480 CarbonylContact O-C 3.59Å; E439-R480 WeakPolarHBondContact O-CA 3.37Å; V440-R480 HydrophobicContact CG2-CB 4.44Å
481	I	93.9	Very high	81.1	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.6	-179.4	-47.7	-58.1	0	0	0	108.9	Q399 Q400 C401 L411 L415 S438 E439 R441	Q399-I481 HydrophobicContact CB-CG2 4.32Å; Q400-I481 WeakPolarHBondContact O-CA 3.25Å; C401-I481 HydrophobicContact CB-CD1 3.63Å; C401-I481 WeakPolarHBondContact SG-CD1 3.36Å; L411-I481 HydrophobicContact CD2-CD1 4.49Å; L415-I481 HydrophobicContact CB-CD1 3.9Å; L415-I481 HydrophobicContact CB-CG1 4.43Å; L415-I481 HydrophobicContact CD1-CD1 3.96Å; L415-I481 HydrophobicContact CD1-CG1 3.98Å; S438-I481 WeakPolarHBondContact CA-O 3.45Å; E439-I481 HydrophobicContact CG-CB 4Å; E439-I481 PolarHBondContact N-O 3.34Å; E439-I481 PolarHBondContact O-N 2.7Å; R441-I481 HydrophobicContact CB-CG1 4.5Å; R441-I481 HydrophobicContact CG-CG1 4.09Å
482	N	95.2	Very high	81.5	Confident	23 Å²	23	50.4 Å²	50.4	12%	0.123	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.5	175.1	-64.3	-23.2	0	0	0	108.7	Q399 Q400 L435 R437 S438 Y484	Q399-N482 CarbonylContact C-O 3.57Å; Q399-N482 WeakPolarHBondContact CA-O 3.22Å; Q400-N482 PolarHBondContact N-O 3.39Å; Q400-N482 PolarHBondContact O-N 3.26Å; L435-N482 HydrophobicContact CD1-CB 3.97Å; R437-N482 WeakPolarHBondContact O-CA 3.35Å; S438-N482 VanDerWaalsContact CB-OD1 3.3Å; S438-N482 WeakPolarHBondContact CB-OD1 2.97Å; S438-N482 PolarHBondContact OG-OD1 2.81Å; N482-Y484 HydrophobicContact CB-CD2 4.3Å; N482-Y484 HydrophobicContact CB-CE2 3.54Å
483	T	95.3	Very high	82	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	128	177.6	-57	0	0	0	0	109.9	Q399 L436 R437 F527 L528	Q399-T483 HydrophobicContact CG-CG2 3.98Å; Q399-T483 PolarHBondContact NE2-OG1 2.85Å; L436-T483 WeakPolarHBondContact CB-O 3.36Å; L436-T483 PolarHBondContact N-O 2.76Å; R437-T483 PolarHBondContact N-O 2.88Å; R437-T483 PolarHBondContact O-N 3.43Å; T483-F527 HydrophobicContact CG2-CD2 4.43Å; T483-F527 HydrophobicContact CG2-CE2 4.29Å; T483-L528 HydrophobicContact CG2-CD2 3.99Å
484	Y	95.6	Very high	82.6	Confident	46 Å²	46	53.2 Å²	53.2	18%	0.18	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	152.8	179.6	-66.4	-94.8	0	0	0	110.9	V397 Y398 P433 T434 L435 N482	V397-Y484 WeakPolarHBondContact CA-O 3.32Å; V397-Y484 WeakPolarHBondContact CB-O 3.3Å; Y398-Y484 HydrophobicContact CD2-CD2 4.01Å; Y398-Y484 HydrophobicContact CD2-CG 4.41Å; Y398-Y484 HydrophobicContact CE1-CG 4.2Å; Y398-Y484 AromaticContact CE2-CD2 3.33Å; Y398-Y484 HydrophobicContact CE2-CD2 3.33Å; Y398-Y484 HydrophobicContact CE2-CE2 4.08Å; Y398-Y484 AromaticContact CE2-CG 3.63Å; Y398-Y484 HydrophobicContact CE2-CG 3.63Å; Y398-Y484 AromaticContact CZ-CD2 3.74Å; Y398-Y484 AromaticContact CZ-CG 3.5Å; Y398-Y484 PolarHBondContact N-O 3.26Å; Y398-Y484 PolarHBondContact O-N 2.95Å; P433-Y484 HydrophobicContact CB-CD1 4.27Å; T434-Y484 VanDerWaalsContact O-CA 3.31Å; T434-Y484 WeakPolarHBondContact O-CA 3.27Å; L435-Y484 HydrophobicContact CB-CD1 4Å; L435-Y484 HydrophobicContact CB-CE1 3.62Å; L435-Y484 HydrophobicContact CD1-CD1 4.26Å; L435-Y484 HydrophobicContact CD1-CD2 4.41Å; L435-Y484 HydrophobicContact CD1-CE1 3.8Å; L435-Y484 HydrophobicContact CD1-CE2 3.99Å; L435-Y484 HydrophobicContact CG-CE1 4.29Å; N482-Y484 HydrophobicContact CB-CD2 4.3Å; N482-Y484 HydrophobicContact CB-CE2 3.54Å
485	W	95.1	Very high	83.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	152.9	167.4	75.7	-71.6	0	0	0	110.4	F394 V397 T434 F550 L553 P561 L562	F394-W485 HydrophobicContact CD2-CE3 4.41Å; V397-W485 HydrophobicContact CG1-CB 3.8Å; T434-W485 PolarHBondContact N-O 2.93Å; T434-W485 PolarHBondContact O-N 2.9Å; W485-F550 HydrophobicContact CE3-CE1 4.19Å; W485-F550 AromaticContact CZ3-CE1 3.89Å; W485-F550 HydrophobicContact CZ3-CE1 3.89Å; W485-L553 HydrophobicContact CB-CD1 3.87Å; W485-L553 HydrophobicContact CD2-CB 3.83Å; W485-L553 HydrophobicContact CD2-CD1 4.27Å; W485-L553 VanDerWaalsContact CE2-O 3.23Å; W485-L553 HydrophobicContact CE3-CB 4.37Å; W485-L553 HydrophobicContact CE3-CD1 4.47Å; W485-L553 HydrophobicContact CG-CB 3.98Å; W485-L553 HydrophobicContact CG-CD1 4.04Å; W485-L553 VanDerWaalsContact CH2-N 3.35Å; W485-L553 HydrophobicContact CZ2-CB 4.23Å; W485-L553 VanDerWaalsContact CZ2-N 3.31Å; W485-L553 WeakPolarHBondContact CZ2-O 3.39Å; W485-L553 PolarHBondContact NE1-O 2.96Å; W485-P561 VanDerWaalsContact CZ2-CD 3.4Å; W485-P561 HydrophobicContact CZ2-CG 4.21Å; W485-L562 HydrophobicContact CH2-CD1 4.01Å; W485-L562 HydrophobicContact CH2-CG 4.14Å; W485-L562 HydrophobicContact CZ3-CD1 4.27Å
486	C	94	Very high	83.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.3	-174.6	-61.9	0	0	0	0	110.1	G395 G396 C427	G395-C486 VanDerWaalsContact C-CB 3.49Å; G395-C486 PolarHBondContact N-O 2.96Å; G395-C486 WeakPolarHBondContact O-CB 3.17Å; G396-C486 PolarHBondContact O-N 2.83Å; C427-C486 WeakPolarHBondContact CA-SG 3.29Å; C427-C486 HydrophobicContact CB-CB 3.8Å; C427-C486 WeakPolarHBondContact CB-SG 3.44Å; C427-C486 VanDerWaalsContact SG-CA 3.54Å; C427-C486 WeakPolarHBondContact SG-CB 3.19Å; C427-C486 CovalentContact SG-SG 2.03Å; C427-C486 PolarHBondContact SG-SG 2.58Å
487	S	91	Very high	84.6	Confident	4 Å²	4	47.5 Å²	47.5	3%	0.028	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	162.6	179.9	67.4	0	0	0	0	110.9	Y431 S432	Y431-S487 CarbonylContact C-O 3.58Å; Y431-S487 WeakPolarHBondContact CA-O 3.44Å; S432-S487 PolarHBondContact N-O 3.36Å; S432-S487 PolarHBondContact O-N 2.75Å; S432-S487 VanDerWaalsContact O-N 3.08Å
488	V	88.4	Confident	85.1	Confident	13 Å²	13	46.9 Å²	46.9	8%	0.079	25%	0.248	C	C	.	.			trans	-129.9	129.4	176.2	60.4	0	0	0	0	109.2	P430 Y431 G490 A492 L562	P430-V488 HydrophobicContact CB-CG2 4.49Å; P430-V488 HydrophobicContact CG-CG2 4.25Å; Y431-V488 HydrophobicContact CD1-CB 3.96Å; Y431-V488 HydrophobicContact CD1-CG1 4.15Å; Y431-V488 HydrophobicContact CE1-CB 4.17Å; Y431-V488 HydrophobicContact CE1-CG1 3.87Å; V488-G490 PolarHBondContact O-N 2.85Å; V488-A492 HydrophobicContact CG1-CB 3.82Å; V488-L562 VanDerWaalsContact O-CD2 3.27Å; V488-L562 WeakPolarHBondContact O-CD2 3.27Å
489	N	75.5	Confident	85.4	Confident	126 Å²	126	46.8 Å²	46.8	67%	0.674	25%	0.247	S	C	*	.	S	Bend	trans	-84.8	103.2	175	-75.4	-18.5	0	0	0	108.8
490	G	70.8	Confident	85.5	Confident	53 Å²	53	46.9 Å²	46.9	55%	0.546	25%	0.247	S	C	.	.	S	Bend	trans	115.8	-164.3	179.6	0	0	0	0	0	113.3	V488 A492	V488-G490 PolarHBondContact O-N 2.85Å; G490-A492 PolarHBondContact O-N 2.88Å
491	K	70.1	Confident	85.4	Confident	160 Å²	160	41.5 Å²	41.5	70%	0.696	23%	0.227	S	C	*	.			trans	-75.7	115.1	-178.5	-168.6	178.8	178.1	-174.8	0	109.6
492	A	73.8	Confident	85.2	Confident	14 Å²	14	41.5 Å²	41.5	12%	0.116	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-67.8	151.4	170.7	0	0	0	0	0	110.7	V488 G490	V488-A492 HydrophobicContact CG1-CB 3.82Å; G490-A492 PolarHBondContact O-N 2.88Å
493	P	76.4	Confident	85.1	Confident	71 Å²	71	40.4 Å²	40.4	46%	0.461	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-55.8	150.5	165.9	-18	28.9	0	0	0	111.1	P430 N495 S496	P430-P493 HydrophobicContact CG-CG 4.4Å; P493-N495 PolarHBondContact O-N 3.46Å; P493-S496 WeakPolarHBondContact CD-OG 2.99Å; P493-S496 PolarHBondContact O-N 2.91Å; P493-S496 PolarHBondContact O-OG 2.87Å
494	E	74.1	Confident	85	Confident	170 Å²	170	41.9 Å²	41.9	79%	0.794	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	137.1	178.2	-73.8	-177.5	-178.8	0	0	110.7	S496	E494-S496 PolarHBondContact O-N 2.79Å; E494-S496 VanDerWaalsContact O-N 3.08Å
495	N	75.5	Confident	84.7	Confident	111 Å²	111	39.8 Å²	39.8	59%	0.594	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	27.2	178.5	-56.9	-19	0	0	0	115.4	P493 Y540	P493-N495 PolarHBondContact O-N 3.46Å; N495-Y540 VanDerWaalsContact CA-CZ 3.43Å; N495-Y540 WeakPolarHBondContact CA-OH 3.4Å; N495-Y540 HydrophobicContact CB-CD1 4.26Å; N495-Y540 HydrophobicContact CB-CD2 3.78Å; N495-Y540 HydrophobicContact CB-CE1 4.16Å; N495-Y540 HydrophobicContact CB-CE2 3.66Å; N495-Y540 HydrophobicContact CB-CG 4.07Å; N495-Y540 WeakPolarHBondContact O-CE2 3.45Å; N495-Y540 VanDerWaalsContact OD1-CD1 3.3Å; N495-Y540 WeakPolarHBondContact OD1-CD1 3.46Å; N495-Y540 WeakPolarHBondContact OD1-CE1 3.46Å
496	S	78.1	Confident	84.2	Confident	29 Å²	29	44.3 Å²	44.3	20%	0.203	25%	0.247	C	C	.	.			trans	-90.2	-7.8	-179.2	70.7	0	0	0	0	115.2	Y431 P493 E494	Y431-S496 PolarHBondContact OH-O 2.63Å; Y431-S496 PolarHBondContact OH-OG 3.3Å; P493-S496 WeakPolarHBondContact CD-OG 2.99Å; P493-S496 PolarHBondContact O-N 2.91Å; P493-S496 PolarHBondContact O-OG 2.87Å; E494-S496 PolarHBondContact O-N 2.79Å; E494-S496 VanDerWaalsContact O-N 3.08Å
497	G	85	Confident	83.6	Confident	7 Å²	7	49.1 Å²	49.1	7%	0.072	28%	0.281	C	S	.	.	S	Bend	trans	-110.3	-166.9	-173.2	0	0	0	0	0	112.9	F394 Y431 Y540	F394-G497 CarbonylContact O-C 3.53Å; F394-G497 WeakPolarHBondContact O-CA 3.35Å; Y431-G497 WeakPolarHBondContact OH-CA 3.47Å; Y431-G497 PolarHBondContact OH-N 3.45Å; G497-Y540 VanDerWaalsContact C-OH 3.24Å; G497-Y540 PolarHBondContact N-OH 2.58Å; G497-Y540 PolarHBondContact O-OH 3.19Å
498	Y	90.8	Very high	83.3	Confident	26 Å²	26	51.6 Å²	51.6	10%	0.102	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-101.9	140.5	169	-73	-67.7	0	0	0	110.6	F394 I420 A421 V536 S537 D538	F394-Y498 PolarHBondContact O-N 3.29Å; I420-Y498 WeakPolarHBondContact CB-OH 3.31Å; I420-Y498 WeakPolarHBondContact CG2-OH 3.43Å; A421-Y498 WeakPolarHBondContact CA-OH 3.36Å; A421-Y498 HydrophobicContact CB-CE2 4.03Å; A421-Y498 WeakPolarHBondContact CB-OH 3.33Å; A421-Y498 PolarHBondContact N-OH 3.21Å; Y498-V536 HydrophobicContact CD1-CB 4.19Å; Y498-V536 HydrophobicContact CD1-CG2 4.31Å; Y498-V536 HydrophobicContact CG-CB 4.17Å; Y498-S537 CarbonylContact C-O 3.58Å; Y498-S537 WeakPolarHBondContact CA-O 3.28Å; Y498-D538 HydrophobicContact CD1-CB 4.16Å; Y498-D538 HydrophobicContact CE1-CB 3.99Å
499	L	91	Very high	83.4	Confident	16 Å²	16	56.1 Å²	56.1	8%	0.084	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	140.2	160.9	-57.6	178.5	0	0	0	109.2	F522 V536 S537 D539 Y540 S547	L499-F522 HydrophobicContact CB-CE1 3.89Å; L499-F522 HydrophobicContact CB-CZ 3.93Å; L499-F522 WeakPolarHBondContact O-CE1 3.24Å; L499-V536 WeakPolarHBondContact O-CA 3.5Å; L499-S537 WeakPolarHBondContact CB-O 3.11Å; L499-S537 PolarHBondContact N-O 3.28Å; L499-S537 PolarHBondContact O-N 3.38Å; L499-S537 VanDerWaalsContact O-N 3.16Å; L499-D539 VanDerWaalsContact CD1-O 3.23Å; L499-D539 WeakPolarHBondContact CD1-O 3.45Å; L499-Y540 HydrophobicContact CD1-CD1 4.42Å; L499-Y540 HydrophobicContact CD2-CD1 3.69Å; L499-Y540 HydrophobicContact CD2-CE1 3.47Å; L499-Y540 VanDerWaalsContact CD2-CE1 3.47Å; L499-Y540 HydrophobicContact CG-CD1 4.18Å; L499-Y540 HydrophobicContact CG-CE1 4.06Å; L499-S547 WeakPolarHBondContact CD2-OG 3.37Å
500	F	92	Very high	84.1	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.009	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.5	178.8	175.7	-97.4	0	0	0	110.4	G502 I503 I534 V548 F550 Y588 V590	F500-G502 VanDerWaalsContact CZ-CA 3.47Å; F500-I503 HydrophobicContact CE2-CD1 4.13Å; F500-I503 HydrophobicContact CE2-CG1 3.81Å; F500-I503 HydrophobicContact CZ-CD1 4.17Å; F500-I503 HydrophobicContact CZ-CG1 3.86Å; F500-I534 HydrophobicContact CD2-CD1 4.08Å; F500-I534 HydrophobicContact CD2-CG1 4.14Å; F500-I534 HydrophobicContact CE2-CD1 3.78Å; F500-I534 HydrophobicContact CE2-CG1 3.82Å; F500-V548 HydrophobicContact CD1-CB 4.3Å; F500-V548 PolarHBondContact O-N 2.81Å; F500-F550 HydrophobicContact CB-CB 3.86Å; F500-F550 HydrophobicContact CB-CD2 4.33Å; F500-F550 HydrophobicContact CB-CG 4.32Å; F500-F550 HydrophobicContact CD1-CD2 4.12Å; F500-F550 AromaticContact CD2-CD2 3.74Å; F500-F550 HydrophobicContact CD2-CD2 3.74Å; F500-F550 HydrophobicContact CD2-CE2 4.07Å; F500-F550 HydrophobicContact CD2-CG 4.45Å; F500-F550 HydrophobicContact CE1-CD2 4.38Å; F500-F550 AromaticContact CE2-CD2 3.99Å; F500-F550 HydrophobicContact CE2-CD2 3.99Å; F500-F550 HydrophobicContact CE2-CE2 4.03Å; F500-F550 HydrophobicContact CG-CB 4.17Å; F500-F550 AromaticContact CG-CD2 3.79Å; F500-F550 HydrophobicContact CG-CD2 3.79Å; F500-F550 HydrophobicContact CG-CG 4.28Å; F500-F550 HydrophobicContact CZ-CD2 4.3Å; F500-Y588 HydrophobicContact CE1-CD2 4.38Å; F500-Y588 HydrophobicContact CE1-CE2 4.27Å; F500-Y588 AromaticContact CZ-CD2 3.94Å; F500-Y588 HydrophobicContact CZ-CD2 3.94Å; F500-Y588 AromaticContact CZ-CE2 3.99Å; F500-Y588 HydrophobicContact CZ-CE2 3.99Å; F500-V590 HydrophobicContact CD1-CG1 3.97Å; F500-V590 HydrophobicContact CE1-CG1 3.56Å; F500-V590 HydrophobicContact CZ-CG1 4.4Å
501	G	90.8	Very high	84.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	21.9	-176	0	0	0	0	0	113.9	N510 I512 P519 F522 C535	G501-N510 PolarHBondContact O-ND2 3.17Å; G501-I512 VanDerWaalsContact C-CD1 3.4Å; G501-I512 WeakPolarHBondContact O-CD1 3.4Å; G501-P519 WeakPolarHBondContact O-CD 3.32Å; G501-F522 VanDerWaalsContact N-CE1 3.25Å; G501-C535 PolarHBondContact N-O 3.04Å
502	G	91.4	Very high	85.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.6	175.3	-178.8	0	0	0	0	0	114.7	F500 C535	F500-G502 VanDerWaalsContact CZ-CA 3.47Å; G502-C535 WeakPolarHBondContact O-CB 3.05Å; G502-C535 PolarHBondContact O-N 3.03Å
503	I	93.1	Very high	86.4	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.6	177.2	-61.6	168.8	0	0	0	107.5	F500 F508 F527 M533 I534 A578 Y588	F500-I503 HydrophobicContact CE2-CD1 4.13Å; F500-I503 HydrophobicContact CE2-CG1 3.81Å; F500-I503 HydrophobicContact CZ-CD1 4.17Å; F500-I503 HydrophobicContact CZ-CG1 3.86Å; I503-F508 HydrophobicContact CG2-CE2 4.04Å; I503-F508 HydrophobicContact CG2-CZ 3.99Å; I503-F527 HydrophobicContact CD1-CD1 4.44Å; I503-F527 HydrophobicContact CD1-CE1 4.09Å; I503-F527 HydrophobicContact CG2-CD1 4.29Å; I503-M533 WeakPolarHBondContact CA-O 3.34Å; I503-M533 WeakPolarHBondContact CG2-O 3.28Å; I503-I534 HydrophobicContact CD1-CD1 4.33Å; I503-I534 HydrophobicContact CG1-CB 4.19Å; I503-I534 HydrophobicContact CG1-CD1 4.25Å; I503-I534 HydrophobicContact CG1-CG1 3.92Å; I503-A578 HydrophobicContact CD1-CB 4.06Å; I503-Y588 HydrophobicContact CD1-CD1 3.91Å; I503-Y588 HydrophobicContact CD1-CD2 4.37Å; I503-Y588 HydrophobicContact CD1-CE1 4.2Å; I503-Y588 HydrophobicContact CD1-CG 3.99Å
504	Y	92.6	Very high	87	Confident	31 Å²	31	49.8 Å²	49.8	12%	0.122	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	166.3	169.1	66.2	-85.2	0	0	0	110.9	F508 N510 K516 P524 Q532 M533	Y504-F508 VanDerWaalsContact C-CE2 3.45Å; Y504-F508 VanDerWaalsContact C-CZ 3.5Å; Y504-N510 HydrophobicContact CD1-CB 4.41Å; Y504-K516 HydrophobicContact CD2-CB 3.87Å; Y504-K516 HydrophobicContact CE2-CB 4.29Å; Y504-K516 VanDerWaalsContact CE2-O 3.24Å; Y504-K516 WeakPolarHBondContact CE2-O 3.25Å; Y504-P524 WeakPolarHBondContact OH-CB 3.33Å; Y504-Q532 CarbonylContact O-C 3.57Å; Y504-Q532 WeakPolarHBondContact O-CA 3.34Å; Y504-M533 HydrophobicContact CD1-CB 4.07Å; Y504-M533 HydrophobicContact CD2-CB 4.31Å; Y504-M533 HydrophobicContact CD2-CG 4.47Å; Y504-M533 HydrophobicContact CE1-CB 3.54Å; Y504-M533 HydrophobicContact CE1-CG 4.3Å; Y504-M533 HydrophobicContact CE2-CB 3.82Å; Y504-M533 HydrophobicContact CE2-CG 3.74Å; Y504-M533 HydrophobicContact CG-CB 4.43Å; Y504-M533 VanDerWaalsContact CZ-CB 3.41Å; Y504-M533 PolarHBondContact N-O 2.97Å; Y504-M533 PolarHBondContact O-N 2.87Å
505	G	89.4	Confident	87.8	Confident	3 Å²	3	43.7 Å²	43.7	3%	0.031	24%	0.239	C	C	.	.			trans	-145.9	-170.6	176.8	0	0	0	0	0	112.4	S507 F508	G505-S507 VanDerWaalsContact C-N 3.27Å; G505-S507 PolarHBondContact O-N 3.43Å; G505-F508 PolarHBondContact N-O 2.79Å
506	T	84.9	Confident	88.6	Confident	94 Å²	94	43.9 Å²	43.9	58%	0.577	23%	0.234	S	C	*	.	S	Bend	trans	-65.7	-32.2	177.6	52.1	0	0	0	0	112.3	K516	T506-K516 WeakPolarHBondContact O-CE 3.06Å; T506-K516 PolarHBondContact O-NZ 3.01Å
507	S	80.8	Confident	89.4	Confident	102 Å²	102	44.7 Å²	44.7	71%	0.713	24%	0.24	S	C	*	.	S	Bend	trans	-105	-9	-176.4	55.6	0	0	0	0	115.2	G505	G505-S507 VanDerWaalsContact C-N 3.27Å; G505-S507 PolarHBondContact O-N 3.43Å
508	F	85.1	Confident	89.9	Confident	55 Å²	55	45.5 Å²	45.5	24%	0.241	24%	0.244	C	C	.	.	S	Bend	trans	-142.5	150.5	-177.4	67	-87.3	0	0	0	112.2	I503 Y504 G505 Q532 A578	I503-F508 HydrophobicContact CG2-CE2 4.04Å; I503-F508 HydrophobicContact CG2-CZ 3.99Å; Y504-F508 VanDerWaalsContact C-CE2 3.45Å; Y504-F508 VanDerWaalsContact C-CZ 3.5Å; G505-F508 PolarHBondContact N-O 2.79Å; F508-Q532 HydrophobicContact CE1-CG 3.87Å; F508-Q532 HydrophobicContact CZ-CG 3.95Å; F508-A578 WeakPolarHBondContact CE1-O 3.47Å; F508-A578 WeakPolarHBondContact CZ-O 3.29Å
509	E	89.8	Confident	90.1	Very high	108 Å²	108	44.7 Å²	44.7	51%	0.505	24%	0.242	S	C	.	.			trans	-94.1	157	-177.1	-64.7	178.8	164.4	0	0	111.8	P511 K516	E509-P511 WeakPolarHBondContact O-CD 3.48Å; E509-K516 HydrophobicContact CG-CG 4.14Å
510	N	90.3	Very high	90.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-70.2	120.5	170.9	-177.3	-10.9	0	0	0	108.8	G501 Y504 I512 T513 K514 S515 S517	G501-N510 PolarHBondContact O-ND2 3.17Å; Y504-N510 HydrophobicContact CD1-CB 4.41Å; N510-I512 PolarHBondContact O-N 2.92Å; N510-I512 VanDerWaalsContact O-N 3.12Å; N510-I512 PolarHBondContact OD1-N 3.47Å; N510-I512 VanDerWaalsContact OD1-N 3.08Å; N510-T513 WeakPolarHBondContact CB-OG1 3.45Å; N510-T513 PolarHBondContact O-N 2.7Å; N510-K514 WeakPolarHBondContact O-CA 3.43Å; N510-K514 PolarHBondContact O-N 3.32Å; N510-S515 WeakPolarHBondContact CB-O 3.22Å; N510-S515 PolarHBondContact N-O 3.13Å; N510-S517 PolarHBondContact ND2-O 3.19Å
511	P	85.9	Confident	90.2	Very high	46 Å²	46	51 Å²	51	30%	0.299	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.2	-178.8	-27.3	38.4	0	0	0	114.3	E509 F595	E509-P511 WeakPolarHBondContact O-CD 3.48Å; P511-F595 HydrophobicContact CB-CD1 3.71Å; P511-F595 HydrophobicContact CB-CE1 3.82Å; P511-F595 HydrophobicContact CB-CG 4.42Å; P511-F595 HydrophobicContact CG-CD1 3.64Å; P511-F595 HydrophobicContact CG-CE1 3.77Å
512	I	87.5	Confident	90.4	Very high	37 Å²	37	51.8 Å²	51.8	19%	0.19	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-44.2	179.6	-53.6	-174.9	0	0	0	111.2	G501 N510 P519 Y546 V548 F595	G501-I512 VanDerWaalsContact C-CD1 3.4Å; G501-I512 WeakPolarHBondContact O-CD1 3.4Å; N510-I512 PolarHBondContact O-N 2.92Å; N510-I512 VanDerWaalsContact O-N 3.12Å; N510-I512 PolarHBondContact OD1-N 3.47Å; N510-I512 VanDerWaalsContact OD1-N 3.08Å; I512-P519 HydrophobicContact CB-CG 4.32Å; I512-P519 HydrophobicContact CG2-CG 3.92Å; I512-Y546 HydrophobicContact CG2-CD1 4.4Å; I512-V548 HydrophobicContact CD1-CG2 3.52Å; I512-V548 HydrophobicContact CG1-CG2 4.32Å; I512-F595 HydrophobicContact CD1-CZ 3.94Å; I512-F595 HydrophobicContact CG1-CE1 4.42Å; I512-F595 HydrophobicContact CG1-CE2 4.25Å; I512-F595 HydrophobicContact CG1-CZ 3.64Å
513	T	90.3	Very high	90.5	Very high	40 Å²	40	56 Å²	56	25%	0.245	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-10	-176.4	64	0	0	0	0	113.3	N510 S515 S517 P519	N510-T513 WeakPolarHBondContact CB-OG1 3.45Å; N510-T513 PolarHBondContact O-N 2.7Å; T513-S515 PolarHBondContact O-N 2.8Å; T513-S515 PolarHBondContact O-OG 3.37Å; T513-S515 PolarHBondContact OG1-N 2.82Å; T513-S515 PolarHBondContact OG1-O 2.85Å; T513-S515 PolarHBondContact OG1-OG 2.82Å; T513-S517 PolarHBondContact OG1-O 2.61Å; T513-S517 VanDerWaalsContact OG1-O 3.05Å; T513-P519 HydrophobicContact CG2-CB 4.13Å; T513-P519 HydrophobicContact CG2-CG 3.79Å
514	K	88.2	Confident	90.6	Very high	169 Å²	169	59 Å²	59	74%	0.735	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	38.1	-170.7	-56.5	-166.9	180	-174.2	0	112.6	N510	N510-K514 WeakPolarHBondContact O-CA 3.43Å; N510-K514 PolarHBondContact O-N 3.32Å
515	S	90.8	Very high	90.7	Very high	42 Å²	42	57.8 Å²	57.8	29%	0.294	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-155.8	171	178.4	58.1	0	0	0	0	110.3	N510 T513 S517	N510-S515 WeakPolarHBondContact CB-O 3.22Å; N510-S515 PolarHBondContact N-O 3.13Å; T513-S515 PolarHBondContact O-N 2.8Å; T513-S515 PolarHBondContact O-OG 3.37Å; T513-S515 PolarHBondContact OG1-N 2.82Å; T513-S515 PolarHBondContact OG1-O 2.85Å; T513-S515 PolarHBondContact OG1-OG 2.82Å; S515-S517 PolarHBondContact O-N 3.44Å; S515-S517 PolarHBondContact OG-OG 2.89Å
516	K	93.8	Very high	90.9	Very high	114 Å²	114	61.4 Å²	61.4	50%	0.496	34%	0.339	S	S	.	.	S	Bend	trans	-83.1	52.4	177.8	-60.4	-179.6	-172.9	174.3	0	111.3	Y504 T506 E509	Y504-K516 HydrophobicContact CD2-CB 3.87Å; Y504-K516 HydrophobicContact CE2-CB 4.29Å; Y504-K516 VanDerWaalsContact CE2-O 3.24Å; Y504-K516 WeakPolarHBondContact CE2-O 3.25Å; T506-K516 WeakPolarHBondContact O-CE 3.06Å; T506-K516 PolarHBondContact O-NZ 3.01Å; E509-K516 HydrophobicContact CG-CG 4.14Å
517	S	95.1	Very high	91	Very high	47 Å²	47	56.9 Å²	56.9	33%	0.329	31%	0.312	S	S	.	.	S	Bend	trans	-146.6	162.6	-175.6	71.9	0	0	0	0	112	N510 T513 S515	N510-S517 PolarHBondContact ND2-O 3.19Å; T513-S517 PolarHBondContact OG1-O 2.61Å; T513-S517 VanDerWaalsContact OG1-O 3.05Å; S515-S517 PolarHBondContact O-N 3.44Å; S515-S517 PolarHBondContact OG-OG 2.89Å
518	C	95.5	Very high	91.4	Very high	24 Å²	24	52.2 Å²	52.2	16%	0.162	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-84.8	152.6	172.3	-67	0	0	0	0	112.2	F522 P524 C535	C518-F522 HydrophobicContact CB-CB 3.84Å; C518-P524 VanDerWaalsContact SG-CA 3.56Å; C518-C535 WeakPolarHBondContact CA-SG 3.04Å; C518-C535 HydrophobicContact CB-CB 3.74Å; C518-C535 WeakPolarHBondContact CB-SG 3.49Å; C518-C535 WeakPolarHBondContact SG-CA 3.42Å; C518-C535 WeakPolarHBondContact SG-CB 3.36Å; C518-C535 CovalentContact SG-SG 2.04Å; C518-C535 PolarHBondContact SG-SG 3.16Å
519	P	94.2	Very high	91.5	Very high	8 Å²	8	50.3 Å²	50.3	5%	0.052	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-59.3	165.3	170.6	-18.7	30.3	0	0	0	112	G501 I512 T513 N521 F522 Y546	G501-P519 WeakPolarHBondContact O-CD 3.32Å; I512-P519 HydrophobicContact CB-CG 4.32Å; I512-P519 HydrophobicContact CG2-CG 3.92Å; T513-P519 HydrophobicContact CG2-CB 4.13Å; T513-P519 HydrophobicContact CG2-CG 3.79Å; P519-N521 PolarHBondContact O-N 3.15Å; P519-F522 HydrophobicContact CB-CD2 3.85Å; P519-F522 HydrophobicContact CB-CE2 4.35Å; P519-F522 HydrophobicContact CB-CG 4.46Å; P519-F522 HydrophobicContact CG-CD2 4.23Å; P519-F522 HydrophobicContact CG-CG 4.47Å; P519-F522 WeakPolarHBondContact O-CB 3.32Å; P519-F522 PolarHBondContact O-N 3.32Å; P519-F522 VanDerWaalsContact O-N 3.15Å; P519-Y546 HydrophobicContact CB-CD1 4.45Å; P519-Y546 HydrophobicContact CB-CD2 4.23Å; P519-Y546 HydrophobicContact CB-CG 3.88Å
520	A	91.6	Very high	91.2	Very high	58 Å²	58	46.8 Å²	46.8	48%	0.479	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	137.3	174.4	0	0	0	0	0	110.8	F522 Y546	A520-F522 VanDerWaalsContact C-N 3.26Å; A520-F522 WeakPolarHBondContact O-CD2 3.1Å; A520-F522 PolarHBondContact O-N 3.37Å; A520-Y546 HydrophobicContact CB-CE2 4.32Å
521	N	92.5	Very high	91	Very high	93 Å²	93	48.7 Å²	48.7	50%	0.497	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	19.6	-177.5	-48.8	-35.4	0	0	0	115	P519 S537 T542	P519-N521 PolarHBondContact O-N 3.15Å; N521-S537 WeakPolarHBondContact O-CB 3.43Å; N521-S537 PolarHBondContact O-OG 2.86Å; N521-T542 WeakPolarHBondContact ND2-CB 3.47Å; N521-T542 PolarHBondContact ND2-OG1 2.8Å
522	F	95.1	Very high	91.2	Very high	16 Å²	16	46.8 Å²	46.8	7%	0.07	26%	0.263	C	S	.	.			trans	-112.9	140.4	169.4	-74.9	-105	0	0	0	111.4	L499 G501 C518 P519 A520 C535 V536 G543	L499-F522 HydrophobicContact CB-CE1 3.89Å; L499-F522 HydrophobicContact CB-CZ 3.93Å; L499-F522 WeakPolarHBondContact O-CE1 3.24Å; G501-F522 VanDerWaalsContact N-CE1 3.25Å; C518-F522 HydrophobicContact CB-CB 3.84Å; P519-F522 HydrophobicContact CB-CD2 3.85Å; P519-F522 HydrophobicContact CB-CE2 4.35Å; P519-F522 HydrophobicContact CB-CG 4.46Å; P519-F522 HydrophobicContact CG-CD2 4.23Å; P519-F522 HydrophobicContact CG-CG 4.47Å; P519-F522 WeakPolarHBondContact O-CB 3.32Å; P519-F522 PolarHBondContact O-N 3.32Å; P519-F522 VanDerWaalsContact O-N 3.15Å; A520-F522 VanDerWaalsContact C-N 3.26Å; A520-F522 WeakPolarHBondContact O-CD2 3.1Å; A520-F522 PolarHBondContact O-N 3.37Å; F522-C535 HydrophobicContact CB-CB 4.19Å; F522-C535 HydrophobicContact CD1-CB 4.24Å; F522-V536 WeakPolarHBondContact CA-O 3.02Å; F522-G543 WeakPolarHBondContact CE2-O 3.34Å
523	I	94.7	Very high	91.6	Very high	90 Å²	90	46.7 Å²	46.7	46%	0.462	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131.3	178.4	-58.9	168.5	0	0	0	108.9	I420 V536	I420-I523 HydrophobicContact CD1-CG2 4.28Å; I523-V536 PolarHBondContact N-O 3.33Å; I523-V536 PolarHBondContact O-N 2.95Å
524	P	95.2	Very high	91.8	Very high	61 Å²	61	44.8 Å²	44.8	40%	0.396	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	123.7	174.2	30.8	-33.7	0	0	0	110.8	Y504 C518 M533	Y504-P524 WeakPolarHBondContact OH-CB 3.33Å; C518-P524 VanDerWaalsContact SG-CA 3.56Å; P524-M533 HydrophobicContact CB-CE 3.75Å
525	V	94.8	Very high	92.2	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.036	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.6	176.6	179.5	0	0	0	0	109.6	V397 Q417 I420 F527 M533 I534 V536	V397-V525 HydrophobicContact CG2-CG1 3.83Å; Q417-V525 HydrophobicContact CG-CG1 3.73Å; I420-V525 HydrophobicContact CD1-CG2 3.36Å; I420-V525 HydrophobicContact CG1-CG2 4.19Å; V525-F527 PolarHBondContact O-N 2.86Å; V525-M533 CarbonylContact O-C 3.54Å; V525-M533 VanDerWaalsContact O-CA 3.29Å; V525-M533 WeakPolarHBondContact O-CA 3.39Å; V525-I534 HydrophobicContact CB-CG2 3.83Å; V525-I534 HydrophobicContact CG1-CG2 4.3Å; V525-I534 PolarHBondContact N-O 2.8Å; V525-I534 PolarHBondContact O-N 3.21Å; V525-V536 HydrophobicContact CG2-CG2 3.57Å
526	K	92.3	Very high	92.3	Very high	79 Å²	79	34.9 Å²	34.9	34%	0.343	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	130.3	176.1	-68	177.9	-178.2	172.6	0	110.1	T414 Q417 M533	T414-K526 PolarHBondContact O-NZ 3.07Å; Q417-K526 HydrophobicContact CB-CB 4.18Å; Q417-K526 HydrophobicContact CG-CB 4.14Å; K526-M533 HydrophobicContact CB-SD 4.35Å; K526-M533 HydrophobicContact CG-CE 3.99Å; K526-M533 HydrophobicContact CG-SD 3.9Å
527	F	87.9	Confident	92.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	116.9	-176	-179.6	-114.2	0	0	0	107.7	V397 L436 T483 I503 V525 Q532 I534 L553 A578 I586	V397-F527 HydrophobicContact CB-CD2 4.42Å; V397-F527 HydrophobicContact CG1-CD2 4.1Å; V397-F527 HydrophobicContact CG1-CE2 4.12Å; V397-F527 HydrophobicContact CG2-CD2 4.32Å; L436-F527 HydrophobicContact CD2-CE2 3.8Å; L436-F527 HydrophobicContact CD2-CZ 3.7Å; T483-F527 HydrophobicContact CG2-CD2 4.43Å; T483-F527 HydrophobicContact CG2-CE2 4.29Å; I503-F527 HydrophobicContact CD1-CD1 4.44Å; I503-F527 HydrophobicContact CD1-CE1 4.09Å; I503-F527 HydrophobicContact CG2-CD1 4.29Å; V525-F527 PolarHBondContact O-N 2.86Å; F527-Q532 CarbonylContact C-O 3.51Å; F527-Q532 HydrophobicContact CD1-CB 4.38Å; F527-Q532 PolarHBondContact N-O 3.08Å; F527-Q532 CarbonylContact O-C 3.59Å; F527-Q532 VanDerWaalsContact O-C 3.25Å; F527-Q532 WeakPolarHBondContact O-CA 3.48Å; F527-Q532 WeakPolarHBondContact O-CB 3.27Å; F527-I534 HydrophobicContact CB-CB 4Å; F527-I534 HydrophobicContact CB-CG2 3.85Å; F527-I534 HydrophobicContact CD2-CG2 4.41Å; F527-I534 HydrophobicContact CG-CB 4.17Å; F527-I534 HydrophobicContact CG-CG2 4.23Å; F527-L553 HydrophobicContact CE1-CD2 4.43Å; F527-L553 HydrophobicContact CE2-CD1 4.06Å; F527-L553 HydrophobicContact CE2-CD2 4.45Å; F527-L553 HydrophobicContact CZ-CD1 4.12Å; F527-L553 HydrophobicContact CZ-CD2 3.69Å; F527-A578 HydrophobicContact CE1-CB 4.12Å; F527-I586 HydrophobicContact CZ-CG2 4.24Å
528	L	89.4	Confident	92	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	160.8	-174.3	-45.6	172.9	0	0	0	114.2	Q399 T483 D530 I586	Q399-L528 VanDerWaalsContact NE2-C 3.32Å; T483-L528 HydrophobicContact CG2-CD2 3.99Å; L528-D530 PolarHBondContact O-N 2.9Å; L528-I586 HydrophobicContact CD1-CB 4.3Å; L528-I586 HydrophobicContact CD1-CD1 3.5Å; L528-I586 VanDerWaalsContact CD1-CD1 3.5Å; L528-I586 HydrophobicContact CD1-CG1 4.5Å; L528-I586 HydrophobicContact CD1-CG2 4.19Å; L528-I586 HydrophobicContact CD2-CD1 3.45Å; L528-I586 VanDerWaalsContact CD2-CD1 3.45Å; L528-I586 HydrophobicContact CG-CD1 4.08Å
529	S	86.6	Confident	91.7	Very high	15 Å²	15	33.6 Å²	33.6	11%	0.105	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.1	-172	-56	0	0	0	0	115.3	E439 R441 G531	E439-S529 WeakPolarHBondContact OE1-CB 3.07Å; E439-S529 PolarHBondContact OE1-N 2.94Å; E439-S529 PolarHBondContact OE1-OG 2.9Å; R441-S529 VanDerWaalsContact NE-CB 3.33Å; S529-G531 VanDerWaalsContact C-N 3.31Å
530	D	83.4	Confident	91.3	Very high	34 Å²	34	36 Å²	36	18%	0.182	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	17.6	-178.9	-73.8	-50	0	0	0	113.2	R441 L528 Q532 K610	R441-D530 IonicContact CZ-OD1 2.6Å; R441-D530 IonicContact CZ-OD2 3.3Å; R441-D530 VanDerWaalsContact NH1-CG 3.34Å; R441-D530 IonicContact NH1-OD1 2.72Å; R441-D530 PolarHBondContact NH1-OD1 2.77Å; R441-D530 IonicContact NH1-OD2 2.7Å; R441-D530 PolarHBondContact NH1-OD2 2.98Å; R441-D530 IonicContact NH2-OD1 3.68Å; R441-D530 PolarHBondContact NH2-OD1 3.4Å; R441-D530 IonicContact NH2-OD2 3.6Å; R441-D530 PolarHBondContact NH2-OD2 3.07Å; L528-D530 PolarHBondContact O-N 2.9Å; D530-Q532 VanDerWaalsContact CB-NE2 3.33Å; D530-K610 IonicContact OD1-NZ 3.44Å; D530-K610 PolarHBondContact OD1-NZ 3.1Å
531	G	85.5	Confident	91	Very high	39 Å²	39	41.9 Å²	41.9	40%	0.402	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	25.5	175.1	0	0	0	0	0	114.1	S529	S529-G531 VanDerWaalsContact C-N 3.31Å
532	Q	91.9	Very high	90.7	Very high	7 Å²	7	40.5 Å²	40.5	3%	0.033	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	149.9	168.3	-58.1	74.3	16.3	0	0	109.9	Y504 F508 F527 D530 S579	Y504-Q532 CarbonylContact O-C 3.57Å; Y504-Q532 WeakPolarHBondContact O-CA 3.34Å; F508-Q532 HydrophobicContact CE1-CG 3.87Å; F508-Q532 HydrophobicContact CZ-CG 3.95Å; F527-Q532 CarbonylContact C-O 3.51Å; F527-Q532 HydrophobicContact CD1-CB 4.38Å; F527-Q532 PolarHBondContact N-O 3.08Å; F527-Q532 CarbonylContact O-C 3.59Å; F527-Q532 VanDerWaalsContact O-C 3.25Å; F527-Q532 WeakPolarHBondContact O-CA 3.48Å; F527-Q532 WeakPolarHBondContact O-CB 3.27Å; D530-Q532 VanDerWaalsContact CB-NE2 3.33Å; Q532-S579 PolarHBondContact NE2-OG 2.9Å; Q532-S579 VanDerWaalsContact NE2-OG 3.08Å
533	M	94.7	Very high	90.1	Very high	34 Å²	34	39.7 Å²	39.7	17%	0.167	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.8	-177.7	-56.8	-61.1	-67.3	0	0	108.3	I503 Y504 P524 V525 K526	I503-M533 WeakPolarHBondContact CA-O 3.34Å; I503-M533 WeakPolarHBondContact CG2-O 3.28Å; Y504-M533 HydrophobicContact CD1-CB 4.07Å; Y504-M533 HydrophobicContact CD2-CB 4.31Å; Y504-M533 HydrophobicContact CD2-CG 4.47Å; Y504-M533 HydrophobicContact CE1-CB 3.54Å; Y504-M533 HydrophobicContact CE1-CG 4.3Å; Y504-M533 HydrophobicContact CE2-CB 3.82Å; Y504-M533 HydrophobicContact CE2-CG 3.74Å; Y504-M533 HydrophobicContact CG-CB 4.43Å; Y504-M533 VanDerWaalsContact CZ-CB 3.41Å; Y504-M533 PolarHBondContact N-O 2.97Å; Y504-M533 PolarHBondContact O-N 2.87Å; P524-M533 HydrophobicContact CB-CE 3.75Å; V525-M533 CarbonylContact O-C 3.54Å; V525-M533 VanDerWaalsContact O-CA 3.29Å; V525-M533 WeakPolarHBondContact O-CA 3.39Å; K526-M533 HydrophobicContact CB-SD 4.35Å; K526-M533 HydrophobicContact CG-CE 3.99Å; K526-M533 HydrophobicContact CG-SD 3.9Å
534	I	95.2	Very high	89.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.2	172.8	-172.2	164.8	0	0	0	109.3	F394 V397 F500 I503 V525 F527 V536	F394-I534 HydrophobicContact CE1-CD1 4.12Å; F394-I534 HydrophobicContact CZ-CD1 3.74Å; V397-I534 HydrophobicContact CG1-CD1 4.49Å; V397-I534 HydrophobicContact CG2-CG2 3.59Å; F500-I534 HydrophobicContact CD2-CD1 4.08Å; F500-I534 HydrophobicContact CD2-CG1 4.14Å; F500-I534 HydrophobicContact CE2-CD1 3.78Å; F500-I534 HydrophobicContact CE2-CG1 3.82Å; I503-I534 HydrophobicContact CD1-CD1 4.33Å; I503-I534 HydrophobicContact CG1-CB 4.19Å; I503-I534 HydrophobicContact CG1-CD1 4.25Å; I503-I534 HydrophobicContact CG1-CG1 3.92Å; V525-I534 HydrophobicContact CB-CG2 3.83Å; V525-I534 HydrophobicContact CG1-CG2 4.3Å; V525-I534 PolarHBondContact N-O 2.8Å; V525-I534 PolarHBondContact O-N 3.21Å; F527-I534 HydrophobicContact CB-CB 4Å; F527-I534 HydrophobicContact CB-CG2 3.85Å; F527-I534 HydrophobicContact CD2-CG2 4.41Å; F527-I534 HydrophobicContact CG-CB 4.17Å; F527-I534 HydrophobicContact CG-CG2 4.23Å; I534-V536 HydrophobicContact CG1-CG1 4.32Å; I534-V536 HydrophobicContact CG2-CG1 4.37Å
535	C	95.3	Very high	89.1	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.9	-178.4	-63.2	0	0	0	0	110	G501 G502 C518 F522	G501-C535 PolarHBondContact N-O 3.04Å; G502-C535 WeakPolarHBondContact O-CB 3.05Å; G502-C535 PolarHBondContact O-N 3.03Å; C518-C535 WeakPolarHBondContact CA-SG 3.04Å; C518-C535 HydrophobicContact CB-CB 3.74Å; C518-C535 WeakPolarHBondContact CB-SG 3.49Å; C518-C535 WeakPolarHBondContact SG-CA 3.42Å; C518-C535 WeakPolarHBondContact SG-CB 3.36Å; C518-C535 CovalentContact SG-SG 2.04Å; C518-C535 PolarHBondContact SG-SG 3.16Å; F522-C535 HydrophobicContact CB-CB 4.19Å; F522-C535 HydrophobicContact CD1-CB 4.24Å
536	V	94.8	Very high	88.7	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.1	-178.1	-52.3	0	0	0	0	111.4	F394 I420 Y498 L499 F522 I523 V525 I534	F394-V536 HydrophobicContact CE1-CG1 3.69Å; F394-V536 HydrophobicContact CZ-CG1 4.45Å; I420-V536 HydrophobicContact CD1-CG2 3.97Å; Y498-V536 HydrophobicContact CD1-CB 4.19Å; Y498-V536 HydrophobicContact CD1-CG2 4.31Å; Y498-V536 HydrophobicContact CG-CB 4.17Å; L499-V536 WeakPolarHBondContact O-CA 3.5Å; F522-V536 WeakPolarHBondContact CA-O 3.02Å; I523-V536 PolarHBondContact N-O 3.33Å; I523-V536 PolarHBondContact O-N 2.95Å; V525-V536 HydrophobicContact CG2-CG2 3.57Å; I534-V536 HydrophobicContact CG1-CG1 4.32Å; I534-V536 HydrophobicContact CG2-CG1 4.37Å
537	S	92.7	Very high	88.5	Confident	4 Å²	4	46.7 Å²	46.7	3%	0.028	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	143.5	175.1	-175.3	0	0	0	0	110.5	Y498 L499 N521 D539	Y498-S537 CarbonylContact C-O 3.58Å; Y498-S537 WeakPolarHBondContact CA-O 3.28Å; L499-S537 WeakPolarHBondContact CB-O 3.11Å; L499-S537 PolarHBondContact N-O 3.28Å; L499-S537 PolarHBondContact O-N 3.38Å; L499-S537 VanDerWaalsContact O-N 3.16Å; N521-S537 WeakPolarHBondContact O-CB 3.43Å; N521-S537 PolarHBondContact O-OG 2.86Å; S537-D539 PolarHBondContact OG-N 3Å; S537-D539 VanDerWaalsContact OG-N 3.14Å
538	D	89.4	Confident	88.4	Confident	102 Å²	102	47.1 Å²	47.1	55%	0.545	24%	0.241	S	C	.	.			trans	-105.9	4.4	168.6	55.9	-6.1	0	0	0	112.2	Y498 Y540	Y498-D538 HydrophobicContact CD1-CB 4.16Å; Y498-D538 HydrophobicContact CE1-CB 3.99Å; D538-Y540 VanDerWaalsContact O-CD2 3.26Å; D538-Y540 WeakPolarHBondContact O-CD2 3.34Å; D538-Y540 PolarHBondContact O-N 2.53Å
539	D	88.8	Confident	88.2	Confident	52 Å²	52	50.1 Å²	50.1	28%	0.278	26%	0.261	S	S	.	.			trans	-85.6	94	174.6	-175	-19.2	0	0	0	110.4	L499 S537 E541 T542 G543	L499-D539 VanDerWaalsContact CD1-O 3.23Å; L499-D539 WeakPolarHBondContact CD1-O 3.45Å; S537-D539 PolarHBondContact OG-N 3Å; S537-D539 VanDerWaalsContact OG-N 3.14Å; D539-E541 VanDerWaalsContact C-N 3.28Å; D539-E541 PolarHBondContact O-N 2.87Å; D539-E541 PolarHBondContact OD1-N 3.08Å; D539-T542 PolarHBondContact OD1-N 2.79Å; D539-T542 PolarHBondContact OD1-OG1 3.13Å; D539-T542 PolarHBondContact OD2-OG1 2.69Å; D539-G543 WeakPolarHBondContact O-CA 3.37Å; D539-G543 PolarHBondContact O-N 2.91Å
540	Y	85.6	Confident	88.3	Confident	58 Å²	58	50 Å²	50	23%	0.227	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-14.9	178.3	-73.8	-85.8	0	0	0	114.3	N495 G497 L499 D538 S544	N495-Y540 VanDerWaalsContact CA-CZ 3.43Å; N495-Y540 WeakPolarHBondContact CA-OH 3.4Å; N495-Y540 HydrophobicContact CB-CD1 4.26Å; N495-Y540 HydrophobicContact CB-CD2 3.78Å; N495-Y540 HydrophobicContact CB-CE1 4.16Å; N495-Y540 HydrophobicContact CB-CE2 3.66Å; N495-Y540 HydrophobicContact CB-CG 4.07Å; N495-Y540 WeakPolarHBondContact O-CE2 3.45Å; N495-Y540 VanDerWaalsContact OD1-CD1 3.3Å; N495-Y540 WeakPolarHBondContact OD1-CD1 3.46Å; N495-Y540 WeakPolarHBondContact OD1-CE1 3.46Å; G497-Y540 VanDerWaalsContact C-OH 3.24Å; G497-Y540 PolarHBondContact N-OH 2.58Å; G497-Y540 PolarHBondContact O-OH 3.19Å; L499-Y540 HydrophobicContact CD1-CD1 4.42Å; L499-Y540 HydrophobicContact CD2-CD1 3.69Å; L499-Y540 HydrophobicContact CD2-CE1 3.47Å; L499-Y540 VanDerWaalsContact CD2-CE1 3.47Å; L499-Y540 HydrophobicContact CG-CD1 4.18Å; L499-Y540 HydrophobicContact CG-CE1 4.06Å; D538-Y540 VanDerWaalsContact O-CD2 3.26Å; D538-Y540 WeakPolarHBondContact O-CD2 3.34Å; D538-Y540 PolarHBondContact O-N 2.53Å; Y540-S544 WeakPolarHBondContact O-CB 3.46Å; Y540-S544 PolarHBondContact O-OG 2.7Å
541	E	85.9	Confident	88.5	Confident	182 Å²	182	48.4 Å²	48.4	85%	0.85	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-51.1	-178.8	-63.3	-175.2	179.6	0	0	110.6	D539	D539-E541 VanDerWaalsContact C-N 3.28Å; D539-E541 PolarHBondContact O-N 2.87Å; D539-E541 PolarHBondContact OD1-N 3.08Å
542	T	85.6	Confident	88.8	Confident	63 Å²	63	46.5 Å²	46.5	39%	0.387	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-29.7	-174	74.2	0	0	0	0	113	N521 D539	N521-T542 WeakPolarHBondContact ND2-CB 3.47Å; N521-T542 PolarHBondContact ND2-OG1 2.8Å; D539-T542 PolarHBondContact OD1-N 2.79Å; D539-T542 PolarHBondContact OD1-OG1 3.13Å; D539-T542 PolarHBondContact OD2-OG1 2.69Å
543	G	82.7	Confident	88.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-75.3	-24.6	-179.2	0	0	0	0	0	113.7	F522 D539 R545 Y546 S547	F522-G543 WeakPolarHBondContact CE2-O 3.34Å; D539-G543 WeakPolarHBondContact O-CA 3.37Å; D539-G543 PolarHBondContact O-N 2.91Å; G543-R545 PolarHBondContact O-N 3.4Å; G543-R545 VanDerWaalsContact O-N 3.09Å; G543-Y546 PolarHBondContact O-N 3.44Å; G543-Y546 VanDerWaalsContact O-N 3.08Å; G543-S547 PolarHBondContact O-N 2.71Å
544	S	85	Confident	88.8	Confident	58 Å²	58	44.6 Å²	44.6	41%	0.406	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-56.6	-28.9	-179.2	-72.6	0	0	0	0	113.5	Y540 Y546 S547	Y540-S544 WeakPolarHBondContact O-CB 3.46Å; Y540-S544 PolarHBondContact O-OG 2.7Å; S544-Y546 VanDerWaalsContact C-N 3.29Å; S544-Y546 PolarHBondContact O-N 2.84Å; S544-S547 PolarHBondContact O-N 3.01Å
545	R	84.6	Confident	88.7	Confident	201 Å²	201	44.6 Å²	44.6	76%	0.758	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-59.8	-36.1	177.5	-178	179.3	-178.7	-176.4	1.8	113.5	G543	G543-R545 PolarHBondContact O-N 3.4Å; G543-R545 VanDerWaalsContact O-N 3.09Å
546	Y	85.6	Confident	88.2	Confident	86 Å²	86	47.3 Å²	47.3	34%	0.337	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-107.9	3.6	-177.9	-57.6	-72.4	0	0	0	112.5	I512 P519 A520 G543 S544	I512-Y546 HydrophobicContact CG2-CD1 4.4Å; P519-Y546 HydrophobicContact CB-CD1 4.45Å; P519-Y546 HydrophobicContact CB-CD2 4.23Å; P519-Y546 HydrophobicContact CB-CG 3.88Å; A520-Y546 HydrophobicContact CB-CE2 4.32Å; G543-Y546 PolarHBondContact O-N 3.44Å; G543-Y546 VanDerWaalsContact O-N 3.08Å; S544-Y546 VanDerWaalsContact C-N 3.29Å; S544-Y546 PolarHBondContact O-N 2.84Å
547	S	86.9	Confident	88	Confident	38 Å²	38	51.6 Å²	51.6	27%	0.266	26%	0.26	S	S	.	.			trans	-72.6	138.6	176.7	-178.3	0	0	0	0	110.8	L499 G543 S544	L499-S547 WeakPolarHBondContact CD2-OG 3.37Å; G543-S547 PolarHBondContact O-N 2.71Å; S544-S547 PolarHBondContact O-N 3.01Å
548	V	86.1	Confident	88	Confident	8 Å²	8	52.6 Å²	52.6	5%	0.048	27%	0.266	C	S	.	.			trans	-117.9	135	176	179.1	0	0	0	0	108.4	F500 I512 F550 V590 F595	F500-V548 HydrophobicContact CD1-CB 4.3Å; F500-V548 PolarHBondContact O-N 2.81Å; I512-V548 HydrophobicContact CD1-CG2 3.52Å; I512-V548 HydrophobicContact CG1-CG2 4.32Å; V548-F550 PolarHBondContact O-N 2.7Å; V548-V590 HydrophobicContact CG1-CB 3.89Å; V548-V590 HydrophobicContact CG1-CG1 3.96Å; V548-F595 HydrophobicContact CB-CE2 4.1Å; V548-F595 HydrophobicContact CB-CZ 4.49Å; V548-F595 HydrophobicContact CG1-CD2 4.33Å; V548-F595 HydrophobicContact CG1-CE2 3.63Å; V548-F595 HydrophobicContact CG1-CZ 4.35Å; V548-F595 HydrophobicContact CG2-CE2 3.62Å; V548-F595 HydrophobicContact CG2-CZ 4.03Å
549	P	86.3	Confident	88.1	Confident	67 Å²	67	48.3 Å²	48.3	44%	0.435	25%	0.246	S	C	.	.			trans	-53.9	125.2	173.5	-26.4	35.4	0	0	0	111.1	F573 V590	P549-F573 HydrophobicContact CB-CE1 3.89Å; P549-F573 HydrophobicContact CB-CZ 4.27Å; P549-F573 WeakPolarHBondContact O-CE1 3.23Å; P549-V590 WeakPolarHBondContact O-CA 3.45Å
550	F	88.1	Confident	88.1	Confident	13 Å²	13	45.8 Å²	45.8	6%	0.057	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.4	-176.3	178.9	-100.4	0	0	0	111.2	L392 F394 W485 F500 V548 G552 L553	L392-F550 WeakPolarHBondContact CB-O 3.36Å; F394-F550 HydrophobicContact CB-CD1 3.74Å; F394-F550 HydrophobicContact CB-CE1 4.12Å; F394-F550 HydrophobicContact CB-CG 4.47Å; F394-F550 HydrophobicContact CD2-CD1 4.01Å; F394-F550 AromaticContact CD2-CE1 3.5Å; F394-F550 HydrophobicContact CD2-CE1 3.5Å; F394-F550 VanDerWaalsContact CD2-CE1 3.5Å; F394-F550 HydrophobicContact CD2-CZ 4.08Å; F394-F550 HydrophobicContact CE2-CE1 4.1Å; F394-F550 HydrophobicContact CE2-CZ 4.23Å; F394-F550 AromaticContact CG-CD1 3.95Å; F394-F550 HydrophobicContact CG-CD1 3.95Å; F394-F550 AromaticContact CG-CE1 3.91Å; F394-F550 HydrophobicContact CG-CE1 3.91Å; W485-F550 HydrophobicContact CE3-CE1 4.19Å; W485-F550 AromaticContact CZ3-CE1 3.89Å; W485-F550 HydrophobicContact CZ3-CE1 3.89Å; F500-F550 HydrophobicContact CB-CB 3.86Å; F500-F550 HydrophobicContact CB-CD2 4.33Å; F500-F550 HydrophobicContact CB-CG 4.32Å; F500-F550 HydrophobicContact CD1-CD2 4.12Å; F500-F550 AromaticContact CD2-CD2 3.74Å; F500-F550 HydrophobicContact CD2-CD2 3.74Å; F500-F550 HydrophobicContact CD2-CE2 4.07Å; F500-F550 HydrophobicContact CD2-CG 4.45Å; F500-F550 HydrophobicContact CE1-CD2 4.38Å; F500-F550 AromaticContact CE2-CD2 3.99Å; F500-F550 HydrophobicContact CE2-CD2 3.99Å; F500-F550 HydrophobicContact CE2-CE2 4.03Å; F500-F550 HydrophobicContact CG-CB 4.17Å; F500-F550 AromaticContact CG-CD2 3.79Å; F500-F550 HydrophobicContact CG-CD2 3.79Å; F500-F550 HydrophobicContact CG-CG 4.28Å; F500-F550 HydrophobicContact CZ-CD2 4.3Å; V548-F550 PolarHBondContact O-N 2.7Å; F550-G552 VanDerWaalsContact CE1-CA 3.43Å; F550-L553 HydrophobicContact CE2-CG 4.23Å; F550-L553 HydrophobicContact CZ-CD1 3.84Å; F550-L553 HydrophobicContact CZ-CG 3.69Å
551	G	87.5	Confident	88.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	1.5	-174.6	0	0	0	0	0	115.2	N560 P570 C589	G551-N560 PolarHBondContact O-ND2 2.81Å; G551-P570 VanDerWaalsContact O-CD 3.32Å; G551-P570 WeakPolarHBondContact O-CD 3.21Å; G551-P570 WeakPolarHBondContact O-CG 3.24Å; G551-C589 PolarHBondContact N-O 2.68Å
552	G	91.3	Very high	88.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	113.4	173.3	178.2	0	0	0	0	0	115.3	F550 Y588 C589	F550-G552 VanDerWaalsContact CE1-CA 3.43Å; G552-Y588 CarbonylContact O-C 3.58Å; G552-Y588 WeakPolarHBondContact O-CA 3.44Å; G552-C589 PolarHBondContact O-N 2.91Å
553	L	93.4	Very high	88.4	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.3	176.5	-79.9	154.2	0	0	0	110.4	V397 L436 W485 F527 F550 L587	V397-L553 HydrophobicContact CG1-CD1 4.25Å; L436-L553 HydrophobicContact CD1-CB 3.98Å; L436-L553 HydrophobicContact CD2-CB 4.16Å; L436-L553 HydrophobicContact CD2-CD1 4.36Å; L436-L553 HydrophobicContact CD2-CD2 4.18Å; L436-L553 HydrophobicContact CD2-CG 4.47Å; W485-L553 HydrophobicContact CB-CD1 3.87Å; W485-L553 HydrophobicContact CD2-CB 3.83Å; W485-L553 HydrophobicContact CD2-CD1 4.27Å; W485-L553 VanDerWaalsContact CE2-O 3.23Å; W485-L553 HydrophobicContact CE3-CB 4.37Å; W485-L553 HydrophobicContact CE3-CD1 4.47Å; W485-L553 HydrophobicContact CG-CB 3.98Å; W485-L553 HydrophobicContact CG-CD1 4.04Å; W485-L553 VanDerWaalsContact CH2-N 3.35Å; W485-L553 HydrophobicContact CZ2-CB 4.23Å; W485-L553 VanDerWaalsContact CZ2-N 3.31Å; W485-L553 WeakPolarHBondContact CZ2-O 3.39Å; W485-L553 PolarHBondContact NE1-O 2.96Å; F527-L553 HydrophobicContact CE1-CD2 4.43Å; F527-L553 HydrophobicContact CE2-CD1 4.06Å; F527-L553 HydrophobicContact CE2-CD2 4.45Å; F527-L553 HydrophobicContact CZ-CD1 4.12Å; F527-L553 HydrophobicContact CZ-CD2 3.69Å; F550-L553 HydrophobicContact CE2-CG 4.23Å; F550-L553 HydrophobicContact CZ-CD1 3.84Å; F550-L553 HydrophobicContact CZ-CG 3.69Å; L553-L587 WeakPolarHBondContact CA-O 3.46Å
554	F	93.6	Very high	88.5	Confident	1 Å²	1	42.3 Å²	42.3	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	166.6	174.1	61.8	-77.4	0	0	0	110.4	S558 N560 R567 Q575 L587 C589	F554-S558 WeakPolarHBondContact CB-O 3.27Å; F554-N560 HydrophobicContact CB-CB 4Å; F554-N560 HydrophobicContact CD1-CB 4.1Å; F554-N560 HydrophobicContact CG-CB 4.26Å; F554-R567 HydrophobicContact CD2-CB 4.1Å; F554-R567 HydrophobicContact CE2-CB 4.35Å; F554-Q575 HydrophobicContact CZ-CB 4.2Å; F554-L587 HydrophobicContact CD1-CB 4.14Å; F554-L587 HydrophobicContact CD2-CB 4.14Å; F554-L587 HydrophobicContact CD2-CD1 4.07Å; F554-L587 HydrophobicContact CE1-CB 3.7Å; F554-L587 HydrophobicContact CE2-CB 3.74Å; F554-L587 HydrophobicContact CE2-CD1 3.34Å; F554-L587 HydrophobicContact CE2-CG 4.17Å; F554-L587 HydrophobicContact CG-CB 4.34Å; F554-L587 HydrophobicContact CZ-CB 3.5Å; F554-L587 VanDerWaalsContact CZ-CB 3.5Å; F554-L587 HydrophobicContact CZ-CD1 3.73Å; F554-L587 HydrophobicContact CZ-CG 4.22Å; F554-L587 PolarHBondContact N-O 3.5Å; F554-L587 PolarHBondContact O-N 2.85Å; F554-L587 VanDerWaalsContact O-O 3.12Å; F554-C589 VanDerWaalsContact CE1-SG 3.57Å
555	S	92.9	Very high	88.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	-170.7	-175.8	72.7	0	0	0	0	111.7	L436 E557 S558 R567 E585	L436-S555 WeakPolarHBondContact O-CB 3.49Å; L436-S555 PolarHBondContact O-OG 2.85Å; S555-E557 PolarHBondContact O-N 3.34Å; S555-E557 PolarHBondContact OG-N 3.14Å; S555-S558 PolarHBondContact N-O 3.19Å; S555-S558 VanDerWaalsContact O-O 3.14Å; S555-S558 PolarHBondContact OG-N 2.97Å; S555-S558 VanDerWaalsContact OG-N 3.17Å; S555-R567 PolarHBondContact O-NE 3.31Å; S555-E585 CarbonylContact C-O 3.56Å; S555-E585 WeakPolarHBondContact CA-O 3.21Å; S555-E585 WeakPolarHBondContact CB-O 3.48Å
556	C	86.6	Confident	88.7	Confident	57 Å²	57	39.3 Å²	39.3	39%	0.385	21%	0.206	S	C	.	.	S	Bend	trans	-66.5	-21.7	167.2	79.5	0	0	0	0	113.9	C584 E585	C556-C584 HydrophobicContact CB-CB 4.15Å; C556-C584 WeakPolarHBondContact CB-SG 3.35Å; C556-C584 PolarHBondContact N-SG 2.59Å; C556-C584 VanDerWaalsContact N-SG 3.44Å; C556-C584 VanDerWaalsContact SG-CA 3.57Å; C556-C584 WeakPolarHBondContact SG-CB 3.34Å; C556-C584 CovalentContact SG-SG 2.03Å; C556-C584 PolarHBondContact SG-SG 3.15Å; C556-E585 PolarHBondContact N-O 2.97Å
557	E	89.4	Confident	88.8	Confident	94 Å²	94	41.3 Å²	41.3	44%	0.439	21%	0.213	S	C	.	.	S	Bend	trans	-98.9	-28.9	-176.4	-62	-176.9	164.5	0	0	113	R437 S438 S555	R437-E557 WeakPolarHBondContact CA-OE2 3.33Å; R437-E557 IonicContact CZ-OE1 3.79Å; R437-E557 IonicContact NH1-OE1 3.5Å; R437-E557 PolarHBondContact NH1-OE1 3.45Å; R437-E557 IonicContact NH1-OE2 3.85Å; S438-E557 PolarHBondContact N-OE2 2.9Å; S555-E557 PolarHBondContact O-N 3.34Å; S555-E557 PolarHBondContact OG-N 3.14Å
558	S	91.9	Very high	88.8	Confident	24 Å²	24	45.3 Å²	45.3	17%	0.168	22%	0.222	C	C	.	.			trans	-134	138.2	-177	-177.5	0	0	0	0	111.9	T434 L435 F554 S555	T434-S558 WeakPolarHBondContact CG2-OG 3Å; L435-S558 WeakPolarHBondContact O-CB 3.33Å; L435-S558 PolarHBondContact O-OG 3.28Å; F554-S558 WeakPolarHBondContact CB-O 3.27Å; S555-S558 PolarHBondContact N-O 3.19Å; S555-S558 VanDerWaalsContact O-O 3.14Å; S555-S558 PolarHBondContact OG-N 2.97Å; S555-S558 VanDerWaalsContact OG-N 3.17Å
559	G	91.5	Very high	88.8	Confident	12 Å²	12	45.2 Å²	45.2	12%	0.124	22%	0.222	C	C	.	.			trans	-76.3	174.3	168.4	0	0	0	0	0	112.8	P561	G559-P561 WeakPolarHBondContact O-CD 3.41Å
560	N	90.8	Very high	88.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-88.9	114.9	176.7	-176.5	-1.6	0	0	0	110.1	G551 F554 L562 A563 N565 Q566	G551-N560 PolarHBondContact O-ND2 2.81Å; F554-N560 HydrophobicContact CB-CB 4Å; F554-N560 HydrophobicContact CD1-CB 4.1Å; F554-N560 HydrophobicContact CG-CB 4.26Å; N560-L562 PolarHBondContact O-N 2.8Å; N560-L562 WeakPolarHBondContact OD1-CB 3.34Å; N560-L562 PolarHBondContact OD1-N 2.66Å; N560-A563 HydrophobicContact CB-CB 4.11Å; N560-A563 CarbonylContact O-C 3.52Å; N560-A563 WeakPolarHBondContact O-CA 3.35Å; N560-A563 PolarHBondContact O-N 2.03Å; N560-N565 WeakPolarHBondContact O-CA 3.23Å; N560-N565 PolarHBondContact O-N 2.94Å; N560-Q566 PolarHBondContact N-O 2.84Å
561	P	88.9	Confident	88.5	Confident	12 Å²	12	43.9 Å²	43.9	8%	0.078	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-57.5	-32.6	177.2	-23.4	35.9	0	0	0	113.2	T434 W485 G559 A563 K564 N565	T434-P561 HydrophobicContact CG2-CG 3.95Å; T434-P561 WeakPolarHBondContact OG1-CG 3.19Å; W485-P561 VanDerWaalsContact CZ2-CD 3.4Å; W485-P561 HydrophobicContact CZ2-CG 4.21Å; G559-P561 WeakPolarHBondContact O-CD 3.41Å; P561-A563 PolarHBondContact O-N 2.88Å; P561-K564 PolarHBondContact O-N 3.19Å; P561-N565 VanDerWaalsContact CA-OD1 3.24Å; P561-N565 WeakPolarHBondContact CA-OD1 3.09Å
562	L	86.9	Confident	88.1	Confident	27 Å²	27	47.8 Å²	47.8	14%	0.141	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-71.8	-11.7	178.3	-52.1	179.6	0	0	0	112.9	L392 W485 V488 N560 P570	L392-L562 HydrophobicContact CB-CD1 4.25Å; L392-L562 HydrophobicContact CD1-CB 4.44Å; L392-L562 HydrophobicContact CD1-CD1 4.16Å; L392-L562 HydrophobicContact CD2-CB 4.11Å; L392-L562 HydrophobicContact CD2-CD1 4.11Å; L392-L562 HydrophobicContact CD2-CD2 4.14Å; L392-L562 HydrophobicContact CD2-CG 4.32Å; L392-L562 HydrophobicContact CG-CD1 4.38Å; W485-L562 HydrophobicContact CH2-CD1 4.01Å; W485-L562 HydrophobicContact CH2-CG 4.14Å; W485-L562 HydrophobicContact CZ3-CD1 4.27Å; V488-L562 VanDerWaalsContact O-CD2 3.27Å; V488-L562 WeakPolarHBondContact O-CD2 3.27Å; N560-L562 PolarHBondContact O-N 2.8Å; N560-L562 WeakPolarHBondContact OD1-CB 3.34Å; N560-L562 PolarHBondContact OD1-N 2.66Å; L562-P570 HydrophobicContact CB-CG 4.08Å
563	A	86.8	Confident	87.7	Confident	8 Å²	8	48.5 Å²	48.5	7%	0.066	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-117.6	39.8	174.4	0	0	0	0	0	111.5	N560 P561 N565 Q566 R568 P570	N560-A563 HydrophobicContact CB-CB 4.11Å; N560-A563 CarbonylContact O-C 3.52Å; N560-A563 WeakPolarHBondContact O-CA 3.35Å; N560-A563 PolarHBondContact O-N 2.03Å; P561-A563 PolarHBondContact O-N 2.88Å; A563-N565 VanDerWaalsContact C-N 3.29Å; A563-N565 PolarHBondContact O-N 2.87Å; A563-Q566 WeakPolarHBondContact O-CB 3.04Å; A563-Q566 PolarHBondContact O-N 2.94Å; A563-Q566 VanDerWaalsContact O-N 3.1Å; A563-R568 HydrophobicContact CB-CG 4.19Å; A563-R568 WeakPolarHBondContact CB-O 3.32Å; A563-P570 HydrophobicContact CB-CG 4.35Å
564	K	85.5	Confident	87.2	Confident	183 Å²	183	48.5 Å²	48.5	80%	0.796	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	39.1	-179	-55.2	-179.8	179.3	-179.2	0	113	P561 Q566	P561-K564 PolarHBondContact O-N 3.19Å; K564-Q566 PolarHBondContact O-N 3.03Å
565	N	85.8	Confident	86.8	Confident	108 Å²	108	49.2 Å²	49.2	58%	0.578	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	21.3	-175.9	-66.5	-45.3	0	0	0	114.6	N560 P561 A563	N560-N565 WeakPolarHBondContact O-CA 3.23Å; N560-N565 PolarHBondContact O-N 2.94Å; P561-N565 VanDerWaalsContact CA-OD1 3.24Å; P561-N565 WeakPolarHBondContact CA-OD1 3.09Å; A563-N565 VanDerWaalsContact C-N 3.29Å; A563-N565 PolarHBondContact O-N 2.87Å
566	Q	87.3	Confident	86.5	Confident	87 Å²	87	49.6 Å²	49.6	41%	0.407	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-87.4	151.7	173.6	-64	176.7	-22.8	0	0	110.3	N560 A563 K564 R568	N560-Q566 PolarHBondContact N-O 2.84Å; A563-Q566 WeakPolarHBondContact O-CB 3.04Å; A563-Q566 PolarHBondContact O-N 2.94Å; A563-Q566 VanDerWaalsContact O-N 3.1Å; K564-Q566 PolarHBondContact O-N 3.03Å; Q566-R568 HydrophobicContact CB-CG 3.97Å; Q566-R568 PolarHBondContact O-N 2.77Å
567	R	88	Confident	86.4	Confident	129 Å²	129	49.4 Å²	49.4	49%	0.487	24%	0.235	S	C	.	.	S	Bend	trans	-78.8	58.6	176.5	-66.6	-177.8	66.4	-155.9	-10.3	111	F554 S555	F554-R567 HydrophobicContact CD2-CB 4.1Å; F554-R567 HydrophobicContact CE2-CB 4.35Å; S555-R567 PolarHBondContact O-NE 3.31Å
568	R	86.3	Confident	86.4	Confident	121 Å²	121	45.1 Å²	45.1	46%	0.457	22%	0.215	S	C	.	.	S	Bend	trans	-148.6	167	178.1	64.7	174.8	175.3	169	-2.7	111.2	A563 Q566	A563-R568 HydrophobicContact CB-CG 4.19Å; A563-R568 WeakPolarHBondContact CB-O 3.32Å; Q566-R568 HydrophobicContact CB-CG 3.97Å; Q566-R568 PolarHBondContact O-N 2.77Å
569	C	86.4	Confident	86.1	Confident	6 Å²	6	44.6 Å²	44.6	4%	0.041	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-78.1	152	170.5	-71	0	0	0	0	112.5	F573 S574 Q575 C589	C569-F573 HydrophobicContact CB-CB 3.99Å; C569-S574 VanDerWaalsContact SG-C 3.57Å; C569-Q575 WeakPolarHBondContact SG-CA 3.43Å; C569-Q575 WeakPolarHBondContact SG-CB 3.42Å; C569-Q575 PolarHBondContact SG-N 2.86Å; C569-Q575 VanDerWaalsContact SG-N 3.41Å; C569-C589 WeakPolarHBondContact CA-SG 3.49Å; C569-C589 HydrophobicContact CB-CB 3.86Å; C569-C589 WeakPolarHBondContact CB-SG 3.45Å; C569-C589 VanDerWaalsContact SG-CA 3.52Å; C569-C589 WeakPolarHBondContact SG-CB 3.4Å; C569-C589 CovalentContact SG-SG 2.03Å; C569-C589 PolarHBondContact SG-SG 3.3Å
570	P	86.1	Confident	85.8	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.019	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-60.1	156.7	164.9	-18.3	32.7	0	0	0	110	L392 G551 L562 A563 F573	L392-P570 HydrophobicContact CD1-CB 4.19Å; L392-P570 HydrophobicContact CD1-CG 3.82Å; G551-P570 VanDerWaalsContact O-CD 3.32Å; G551-P570 WeakPolarHBondContact O-CD 3.21Å; G551-P570 WeakPolarHBondContact O-CG 3.24Å; L562-P570 HydrophobicContact CB-CG 4.08Å; A563-P570 HydrophobicContact CB-CG 4.35Å; P570-F573 HydrophobicContact CB-CD2 4.03Å; P570-F573 HydrophobicContact CG-CD2 4.45Å; P570-F573 WeakPolarHBondContact O-CB 3.43Å; P570-F573 PolarHBondContact O-N 3.01Å; P570-F573 VanDerWaalsContact O-N 3.15Å
571	P	81.1	Confident	85.4	Confident	50 Å²	50	45.5 Å²	45.5	33%	0.325	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	146.1	177.5	-22.4	32.3	0	0	0	112.1	F573	P571-F573 WeakPolarHBondContact O-CD2 3.35Å; P571-F573 PolarHBondContact O-N 3.08Å
572	K	79.1	Confident	84.8	Confident	82 Å²	82	46.8 Å²	46.8	36%	0.357	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	0.1	-174.4	-60.3	174.4	160.1	154.2	0	116.7	N373 G387 A389	N373-K572 VanDerWaalsContact ND2-CA 3.34Å; N373-K572 WeakPolarHBondContact ND2-CA 3.41Å; N373-K572 PolarHBondContact OD1-O 3.12Å; N373-K572 VanDerWaalsContact OD1-O 3.12Å; G387-K572 WeakPolarHBondContact O-CD 3.03Å; G387-K572 WeakPolarHBondContact O-CE 3.42Å; G387-K572 PolarHBondContact O-NZ 2.79Å; A389-K572 HydrophobicContact CB-CD 4.08Å
573	F	83.1	Confident	84.1	Confident	14 Å²	14	46.3 Å²	46.3	6%	0.061	22%	0.223	C	C	.	.			trans	-103.9	153.1	167.4	-64.8	-97.6	0	0	0	109	N373 S384 L392 P549 C569 P570 P571 C589	N373-F573 PolarHBondContact ND2-O 3.43Å; S384-F573 PolarHBondContact OG-O 2.92Å; L392-F573 HydrophobicContact CD1-CD2 4.33Å; L392-F573 HydrophobicContact CD1-CE2 3.69Å; L392-F573 HydrophobicContact CD1-CZ 3.84Å; P549-F573 HydrophobicContact CB-CE1 3.89Å; P549-F573 HydrophobicContact CB-CZ 4.27Å; P549-F573 WeakPolarHBondContact O-CE1 3.23Å; C569-F573 HydrophobicContact CB-CB 3.99Å; P570-F573 HydrophobicContact CB-CD2 4.03Å; P570-F573 HydrophobicContact CG-CD2 4.45Å; P570-F573 WeakPolarHBondContact O-CB 3.43Å; P570-F573 PolarHBondContact O-N 3.01Å; P570-F573 VanDerWaalsContact O-N 3.15Å; P571-F573 WeakPolarHBondContact O-CD2 3.35Å; P571-F573 PolarHBondContact O-N 3.08Å; F573-C589 HydrophobicContact CB-CB 3.97Å; F573-C589 HydrophobicContact CG-CB 4.49Å
574	S	82.8	Confident	84	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149.8	169.8	-69.2	0	0	0	0	110	N373 C569 H576 C589 V590 S592	N373-S574 PolarHBondContact OD1-OG 3.49Å; C569-S574 VanDerWaalsContact SG-C 3.57Å; S574-H576 PolarHBondContact O-CD2 2.81Å; S574-C589 WeakPolarHBondContact O-CA 3.2Å; S574-V590 PolarHBondContact N-O 3.23Å; S574-V590 PolarHBondContact O-N 3.5Å; S574-V590 VanDerWaalsContact O-O 3.13Å; S574-S592 WeakPolarHBondContact CB-OG 3.38Å; S574-S592 PolarHBondContact OG-OG 3.42Å
575	Q	86.5	Confident	84	Confident	16 Å²	16	38.4 Å²	38.4	8%	0.075	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	141.9	-178.1	42.3	156.8	63.5	0	0	111.3	P364 F554 C569 Y588	P364-Q575 VanDerWaalsContact CB-CD 3.42Å; P364-Q575 HydrophobicContact CB-CG 4.31Å; P364-Q575 VanDerWaalsContact CB-NE2 3.33Å; P364-Q575 WeakPolarHBondContact O-CG 3.4Å; P364-Q575 PolarHBondContact O-NE2 2.82Å; F554-Q575 HydrophobicContact CZ-CB 4.2Å; C569-Q575 WeakPolarHBondContact SG-CA 3.43Å; C569-Q575 WeakPolarHBondContact SG-CB 3.42Å; C569-Q575 PolarHBondContact SG-N 2.86Å; C569-Q575 VanDerWaalsContact SG-N 3.41Å; Q575-Y588 CarbonylContact C-O 3.46Å; Q575-Y588 WeakPolarHBondContact CA-O 3.48Å
576	H	85.6	Confident	84.3	Confident	9 Å²	9	33.2 Å²	33.2	4%	0.042	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	141.3	177.3	-61.6	-92.9	0	0	0	109	S574 A578 L587 Y588 V590 F595	S574-H576 PolarHBondContact O-CD2 2.81Å; H576-A578 PolarHBondContact O-N 2.99Å; H576-L587 WeakPolarHBondContact O-CA 3.35Å; H576-Y588 HydrophobicContact CB-CD1 3.98Å; H576-Y588 HydrophobicContact CB-CD2 4.42Å; H576-Y588 HydrophobicContact CB-CE1 3.45Å; H576-Y588 VanDerWaalsContact CB-CE1 3.45Å; H576-Y588 HydrophobicContact CB-CE2 3.91Å; H576-Y588 HydrophobicContact CB-CG 4.45Å; H576-Y588 VanDerWaalsContact CB-CZ 3.41Å; H576-Y588 PolarHBondContact N-O 2.99Å; H576-Y588 WeakPolarHBondContact O-CD1 3.48Å; H576-Y588 PolarHBondContact O-N 3.22Å; H576-V590 WeakPolarHBondContact CD2-CG2 3.5Å; H576-V590 WeakPolarHBondContact NE2-CG2 3.39Å; H576-F595 WeakPolarHBondContact CE1-CB 3.44Å
577	L	85.8	Confident	84.5	Confident	53 Å²	53	29.8 Å²	29.8	28%	0.277	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	122.1	175.3	-175.2	67.7	0	0	0	110.1	V580 E585 L587 I604	L577-V580 HydrophobicContact CD1-CG2 4.08Å; L577-V580 HydrophobicContact CD2-CG2 4.07Å; L577-E585 HydrophobicContact CD1-CB 4.2Å; L577-L587 HydrophobicContact CB-CD2 4.33Å; L577-L587 HydrophobicContact CD1-CD2 4.11Å; L577-I604 HydrophobicContact CD2-CD1 3.37Å
578	A	87.9	Confident	84.6	Confident	3 Å²	3	23.9 Å²	23.9	3%	0.025	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-46.3	170.6	0	0	0	0	0	111.5	I503 F508 F527 H576 I586 Y588	I503-A578 HydrophobicContact CD1-CB 4.06Å; F508-A578 WeakPolarHBondContact CE1-O 3.47Å; F508-A578 WeakPolarHBondContact CZ-O 3.29Å; F527-A578 HydrophobicContact CE1-CB 4.12Å; H576-A578 PolarHBondContact O-N 2.99Å; A578-I586 HydrophobicContact CB-CG2 4.47Å; A578-I586 WeakPolarHBondContact CB-O 3.17Å; A578-I586 PolarHBondContact N-O 2.96Å; A578-Y588 HydrophobicContact CB-CD1 3.77Å; A578-Y588 HydrophobicContact CB-CE1 4.15Å
579	S	86.5	Confident	84.8	Confident	14 Å²	14	18.1 Å²	18.1	10%	0.098	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	164.2	179.3	-164.9	0	0	0	0	111.4	Q532 I586	Q532-S579 PolarHBondContact NE2-OG 2.9Å; Q532-S579 VanDerWaalsContact NE2-OG 3.08Å; S579-I586 PolarHBondContact N-O 3.01Å; S579-I586 PolarHBondContact O-N 3.2Å
580	V	84.1	Confident	84.8	Confident	30 Å²	30	17.9 Å²	17.9	18%	0.182	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.1	168.2	-176.6	0	0	0	0	107.5	V360 L577 C584 F608	V360-V580 HydrophobicContact CG1-CG2 3.97Å; V360-V580 HydrophobicContact CG2-CG1 4.2Å; L577-V580 HydrophobicContact CD1-CG2 4.08Å; L577-V580 HydrophobicContact CD2-CG2 4.07Å; V580-C584 WeakPolarHBondContact CA-O 3.47Å; V580-F608 HydrophobicContact CG1-CB 4.22Å
581	S	82.9	Confident	84.5	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	111.9	179.3	167.9	0	0	0	0	111	R437 E439 R441 G583 C584	R437-S581 PolarHBondContact NH2-O 3.23Å; E439-S581 PolarHBondContact OE2-OG 2.98Å; R441-S581 PolarHBondContact NH2-OG 2.04Å; S581-G583 VanDerWaalsContact C-N 3.26Å; S581-G583 PolarHBondContact O-N 3.47Å; S581-C584 PolarHBondContact N-O 2.93Å; S581-C584 VanDerWaalsContact O-CB 3.28Å; S581-C584 WeakPolarHBondContact O-CB 3.2Å; S581-C584 PolarHBondContact O-N 3.46Å
582	D	76.5	Confident	83.7	Confident	39 Å²	39	20.1 Å²	20.1	21%	0.209	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	48	-177.6	-71.7	-41.5	0	0	0	111.7	R204 C584	R204-D582 IonicContact CZ-OD1 3.4Å; R204-D582 IonicContact NH2-OD1 3.48Å; R204-D582 PolarHBondContact NH2-OD1 3.42Å; R204-D582 IonicContact NH2-OD2 2.7Å; R204-D582 PolarHBondContact NH2-OD2 2.73Å; D582-C584 VanDerWaalsContact C-N 3.26Å; D582-C584 PolarHBondContact O-N 3.08Å
583	G	71.6	Confident	83.2	Confident	17 Å²	17	19.2 Å²	19.2	18%	0.175	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-1.5	-179	0	0	0	0	0	115.9	S581	S581-G583 VanDerWaalsContact C-N 3.26Å; S581-G583 PolarHBondContact O-N 3.47Å
584	C	84.7	Confident	82.1	Confident	4 Å²	4	24.5 Å²	24.5	3%	0.027	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	118.8	173.2	-170.4	0	0	0	0	110.9	C556 V580 S581 D582	C556-C584 HydrophobicContact CB-CB 4.15Å; C556-C584 WeakPolarHBondContact CB-SG 3.35Å; C556-C584 PolarHBondContact N-SG 2.59Å; C556-C584 VanDerWaalsContact N-SG 3.44Å; C556-C584 VanDerWaalsContact SG-CA 3.57Å; C556-C584 WeakPolarHBondContact SG-CB 3.34Å; C556-C584 CovalentContact SG-SG 2.03Å; C556-C584 PolarHBondContact SG-SG 3.15Å; V580-C584 WeakPolarHBondContact CA-O 3.47Å; S581-C584 PolarHBondContact N-O 2.93Å; S581-C584 VanDerWaalsContact O-CB 3.28Å; S581-C584 WeakPolarHBondContact O-CB 3.2Å; S581-C584 PolarHBondContact O-N 3.46Å; D582-C584 VanDerWaalsContact C-N 3.26Å; D582-C584 PolarHBondContact O-N 3.08Å
585	E	87	Confident	81.4	Confident	21 Å²	21	25.1 Å²	25.1	10%	0.098	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	140.6	174.2	-55.7	171.2	108	0	0	110.9	V360 S555 C556 L577	V360-E585 WeakPolarHBondContact CA-OE1 3.35Å; V360-E585 HydrophobicContact CG2-CG 4.13Å; S555-E585 CarbonylContact C-O 3.56Å; S555-E585 WeakPolarHBondContact CA-O 3.21Å; S555-E585 WeakPolarHBondContact CB-O 3.48Å; C556-E585 PolarHBondContact N-O 2.97Å; L577-E585 HydrophobicContact CD1-CB 4.2Å
586	I	90.9	Very high	80.3	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.5	175.5	-59.2	167.4	0	0	0	107	L436 R437 F527 L528 A578 S579	L436-I586 HydrophobicContact CD1-CG2 4.36Å; L436-I586 HydrophobicContact CD2-CG2 3.72Å; L436-I586 HydrophobicContact CG-CG2 4.11Å; R437-I586 HydrophobicContact CB-CD1 4.23Å; R437-I586 HydrophobicContact CG-CD1 4.27Å; F527-I586 HydrophobicContact CZ-CG2 4.24Å; L528-I586 HydrophobicContact CD1-CB 4.3Å; L528-I586 HydrophobicContact CD1-CD1 3.5Å; L528-I586 VanDerWaalsContact CD1-CD1 3.5Å; L528-I586 HydrophobicContact CD1-CG1 4.5Å; L528-I586 HydrophobicContact CD1-CG2 4.19Å; L528-I586 HydrophobicContact CD2-CD1 3.45Å; L528-I586 VanDerWaalsContact CD2-CD1 3.45Å; L528-I586 HydrophobicContact CG-CD1 4.08Å; A578-I586 HydrophobicContact CB-CG2 4.47Å; A578-I586 WeakPolarHBondContact CB-O 3.17Å; A578-I586 PolarHBondContact N-O 2.96Å; S579-I586 PolarHBondContact N-O 3.01Å; S579-I586 PolarHBondContact O-N 3.2Å
587	L	91.1	Very high	79.3	Confident	14 Å²	14	27.2 Å²	27.2	7%	0.073	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	146.9	-167.7	-65.3	159	0	0	0	109.5	L553 F554 H576 L577	L553-L587 WeakPolarHBondContact CA-O 3.46Å; F554-L587 HydrophobicContact CD1-CB 4.14Å; F554-L587 HydrophobicContact CD2-CB 4.14Å; F554-L587 HydrophobicContact CD2-CD1 4.07Å; F554-L587 HydrophobicContact CE1-CB 3.7Å; F554-L587 HydrophobicContact CE2-CB 3.74Å; F554-L587 HydrophobicContact CE2-CD1 3.34Å; F554-L587 HydrophobicContact CE2-CG 4.17Å; F554-L587 HydrophobicContact CG-CB 4.34Å; F554-L587 HydrophobicContact CZ-CB 3.5Å; F554-L587 VanDerWaalsContact CZ-CB 3.5Å; F554-L587 HydrophobicContact CZ-CD1 3.73Å; F554-L587 HydrophobicContact CZ-CG 4.22Å; F554-L587 PolarHBondContact N-O 3.5Å; F554-L587 PolarHBondContact O-N 2.85Å; F554-L587 VanDerWaalsContact O-O 3.12Å; H576-L587 WeakPolarHBondContact O-CA 3.35Å; L577-L587 HydrophobicContact CB-CD2 4.33Å; L577-L587 HydrophobicContact CD1-CD2 4.11Å
588	Y	90.9	Very high	78.9	Confident	6 Å²	6	27.1 Å²	27.1	2%	0.024	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	152.9	174.6	69.3	-77.9	0	0	0	110.6	F500 I503 G552 Q575 H576 A578 V590	F500-Y588 HydrophobicContact CE1-CD2 4.38Å; F500-Y588 HydrophobicContact CE1-CE2 4.27Å; F500-Y588 AromaticContact CZ-CD2 3.94Å; F500-Y588 HydrophobicContact CZ-CD2 3.94Å; F500-Y588 AromaticContact CZ-CE2 3.99Å; F500-Y588 HydrophobicContact CZ-CE2 3.99Å; I503-Y588 HydrophobicContact CD1-CD1 3.91Å; I503-Y588 HydrophobicContact CD1-CD2 4.37Å; I503-Y588 HydrophobicContact CD1-CE1 4.2Å; I503-Y588 HydrophobicContact CD1-CG 3.99Å; G552-Y588 CarbonylContact O-C 3.58Å; G552-Y588 WeakPolarHBondContact O-CA 3.44Å; Q575-Y588 CarbonylContact C-O 3.46Å; Q575-Y588 WeakPolarHBondContact CA-O 3.48Å; H576-Y588 HydrophobicContact CB-CD1 3.98Å; H576-Y588 HydrophobicContact CB-CD2 4.42Å; H576-Y588 HydrophobicContact CB-CE1 3.45Å; H576-Y588 VanDerWaalsContact CB-CE1 3.45Å; H576-Y588 HydrophobicContact CB-CE2 3.91Å; H576-Y588 HydrophobicContact CB-CG 4.45Å; H576-Y588 VanDerWaalsContact CB-CZ 3.41Å; H576-Y588 PolarHBondContact N-O 2.99Å; H576-Y588 WeakPolarHBondContact O-CD1 3.48Å; H576-Y588 PolarHBondContact O-N 3.22Å; A578-Y588 HydrophobicContact CB-CD1 3.77Å; A578-Y588 HydrophobicContact CB-CE1 4.15Å; Y588-V590 HydrophobicContact CD2-CG1 3.89Å; Y588-V590 HydrophobicContact CD2-CG2 4.39Å; Y588-V590 HydrophobicContact CE2-CG1 3.93Å; Y588-V590 HydrophobicContact CE2-CG2 3.95Å
589	C	89.3	Confident	78.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.3	-178.3	-62	0	0	0	0	110.6	G551 G552 F554 C569 F573 S574	G551-C589 PolarHBondContact N-O 2.68Å; G552-C589 PolarHBondContact O-N 2.91Å; F554-C589 VanDerWaalsContact CE1-SG 3.57Å; C569-C589 WeakPolarHBondContact CA-SG 3.49Å; C569-C589 HydrophobicContact CB-CB 3.86Å; C569-C589 WeakPolarHBondContact CB-SG 3.45Å; C569-C589 VanDerWaalsContact SG-CA 3.52Å; C569-C589 WeakPolarHBondContact SG-CB 3.4Å; C569-C589 CovalentContact SG-SG 2.03Å; C569-C589 PolarHBondContact SG-SG 3.3Å; F573-C589 HydrophobicContact CB-CB 3.97Å; F573-C589 HydrophobicContact CG-CB 4.49Å; S574-C589 WeakPolarHBondContact O-CA 3.2Å
590	V	86.6	Confident	78.7	Confident	0 Å²	0	34 Å²	34	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	161.4	170.1	-71.8	0	0	0	0	109.8	F500 V548 P549 S574 H576 Y588 S592 F595	F500-V590 HydrophobicContact CD1-CG1 3.97Å; F500-V590 HydrophobicContact CE1-CG1 3.56Å; F500-V590 HydrophobicContact CZ-CG1 4.4Å; V548-V590 HydrophobicContact CG1-CB 3.89Å; V548-V590 HydrophobicContact CG1-CG1 3.96Å; P549-V590 WeakPolarHBondContact O-CA 3.45Å; S574-V590 PolarHBondContact N-O 3.23Å; S574-V590 PolarHBondContact O-N 3.5Å; S574-V590 VanDerWaalsContact O-O 3.13Å; H576-V590 WeakPolarHBondContact CD2-CG2 3.5Å; H576-V590 WeakPolarHBondContact NE2-CG2 3.39Å; Y588-V590 HydrophobicContact CD2-CG1 3.89Å; Y588-V590 HydrophobicContact CD2-CG2 4.39Å; Y588-V590 HydrophobicContact CE2-CG1 3.93Å; Y588-V590 HydrophobicContact CE2-CG2 3.95Å; V590-S592 PolarHBondContact O-N 2.89Å; V590-F595 HydrophobicContact CB-CD2 4.48Å; V590-F595 HydrophobicContact CG2-CB 4.16Å; V590-F595 HydrophobicContact CG2-CD1 4.1Å; V590-F595 HydrophobicContact CG2-CD2 3.84Å; V590-F595 HydrophobicContact CG2-CE2 4.31Å; V590-F595 HydrophobicContact CG2-CG 3.76Å
591	Q	79.8	Confident	78.8	Confident	100 Å²	100	37.1 Å²	37.1	47%	0.467	23%	0.233	S	C	.	.			trans	-70.4	125.8	174.3	-167.8	173	-7	0	0	109.9	G593	Q591-G593 VanDerWaalsContact C-N 3.31Å; Q591-G593 PolarHBondContact O-N 2.88Å; Q591-G593 VanDerWaalsContact O-N 3.1Å
592	S	65.6	Low	79.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-50.6	-39.4	-165.9	-85.7	0	0	0	0	116.1	N373 S574 V590 L594 F595 T596	N373-S592 PolarHBondContact O-OG 2.87Å; N373-S592 PolarHBondContact OD1-OG 3.44Å; S574-S592 WeakPolarHBondContact CB-OG 3.38Å; S574-S592 PolarHBondContact OG-OG 3.42Å; V590-S592 PolarHBondContact O-N 2.89Å; S592-L594 VanDerWaalsContact C-N 3.32Å; S592-L594 PolarHBondContact O-N 3.5Å; S592-F595 PolarHBondContact O-N 3.47Å; S592-T596 VanDerWaalsContact CB-CG2 3.47Å; S592-T596 VanDerWaalsContact O-CG2 3.28Å; S592-T596 WeakPolarHBondContact O-CG2 3.34Å; S592-T596 PolarHBondContact O-N 2.84Å; S592-T596 PolarHBondContact O-OG1 3.31Å; S592-T596 WeakPolarHBondContact OG-CG2 3.01Å
593	G	67	Low	79.9	Confident	63 Å²	63	41.8 Å²	41.8	65%	0.649	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-44.9	-46.1	-162.1	0	0	0	0	0	116.4	Q591	Q591-G593 VanDerWaalsContact C-N 3.31Å; Q591-G593 PolarHBondContact O-N 2.88Å; Q591-G593 VanDerWaalsContact O-N 3.1Å
594	L	61.6	Low	80.8	Confident	126 Å²	126	43.6 Å²	43.6	66%	0.66	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-85.1	-18	-178.2	-97	143.8	0	0	0	114.6	S592	S592-L594 VanDerWaalsContact C-N 3.32Å; S592-L594 PolarHBondContact O-N 3.5Å
595	F	66.7	Low	81.2	Confident	12 Å²	12	46.7 Å²	46.7	5%	0.053	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-7.7	-168.3	-71.6	-104.2	0	0	0	113.9	P511 I512 V548 H576 V590 S592	P511-F595 HydrophobicContact CB-CD1 3.71Å; P511-F595 HydrophobicContact CB-CE1 3.82Å; P511-F595 HydrophobicContact CB-CG 4.42Å; P511-F595 HydrophobicContact CG-CD1 3.64Å; P511-F595 HydrophobicContact CG-CE1 3.77Å; I512-F595 HydrophobicContact CD1-CZ 3.94Å; I512-F595 HydrophobicContact CG1-CE1 4.42Å; I512-F595 HydrophobicContact CG1-CE2 4.25Å; I512-F595 HydrophobicContact CG1-CZ 3.64Å; V548-F595 HydrophobicContact CB-CE2 4.1Å; V548-F595 HydrophobicContact CB-CZ 4.49Å; V548-F595 HydrophobicContact CG1-CD2 4.33Å; V548-F595 HydrophobicContact CG1-CE2 3.63Å; V548-F595 HydrophobicContact CG1-CZ 4.35Å; V548-F595 HydrophobicContact CG2-CE2 3.62Å; V548-F595 HydrophobicContact CG2-CZ 4.03Å; H576-F595 WeakPolarHBondContact CE1-CB 3.44Å; V590-F595 HydrophobicContact CB-CD2 4.48Å; V590-F595 HydrophobicContact CG2-CB 4.16Å; V590-F595 HydrophobicContact CG2-CD1 4.1Å; V590-F595 HydrophobicContact CG2-CD2 3.84Å; V590-F595 HydrophobicContact CG2-CE2 4.31Å; V590-F595 HydrophobicContact CG2-CG 3.76Å; S592-F595 PolarHBondContact O-N 3.47Å
596	T	64.4	Low	81.5	Confident	12 Å²	12	46 Å²	46	7%	0.074	28%	0.282	C	S	.	.	S	Bend	trans	-102.7	-18.3	-173.5	57.9	0	0	0	0	113.8	N375 F376 S592	N375-T596 HydrophobicContact CB-CG2 3.98Å; N375-T596 WeakPolarHBondContact OD1-CG2 3.38Å; F376-T596 WeakPolarHBondContact CB-O 3.49Å; S592-T596 VanDerWaalsContact CB-CG2 3.47Å; S592-T596 VanDerWaalsContact O-CG2 3.28Å; S592-T596 WeakPolarHBondContact O-CG2 3.34Å; S592-T596 PolarHBondContact O-N 2.84Å; S592-T596 PolarHBondContact O-OG1 3.31Å; S592-T596 WeakPolarHBondContact OG-CG2 3.01Å
597	G	64.6	Low	81.5	Confident	58 Å²	58	48.5 Å²	48.5	60%	0.598	30%	0.298	S	S	*	.			trans	-69.1	170.5	177.7	0	0	0	0	0	115
598	G	77.7	Confident	81.2	Confident	50 Å²	50	48.8 Å²	48.8	52%	0.515	30%	0.299	S	S	.	.	S	Bend	trans	102.1	-152.1	179.4	0	0	0	0	0	113.2	F376	F376-G598 VanDerWaalsContact CE1-O 3.32Å; F376-G598 WeakPolarHBondContact CE1-O 3.39Å
599	D	81.4	Confident	80.6	Confident	122 Å²	122	49 Å²	49	65%	0.652	30%	0.301	S	S	*	.	S	Bend	trans	-91.7	156.4	175.2	-63.7	-39.2	0	0	0	111.2	K158 Q377 K601	K158-D599 IonicContact NZ-OD1 3.25Å; K158-D599 PolarHBondContact NZ-OD1 3.02Å; Q377-D599 PolarHBondContact NE2-O 3.37Å; D599-K601 PolarHBondContact O-N 3.15Å
600	L	88.4	Confident	79.8	Confident	39 Å²	39	54.6 Å²	54.6	20%	0.204	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-61.6	126.6	176.7	-69.1	170.5	0	0	0	109.2	T150 K153 F376	T150-L600 HydrophobicContact CG2-CD1 4.02Å; K153-L600 HydrophobicContact CB-CD1 4.31Å; K153-L600 HydrophobicContact CD-CD1 3.98Å; K153-L600 HydrophobicContact CD-CD2 3.91Å; K153-L600 HydrophobicContact CG-CD1 4.3Å; F376-L600 HydrophobicContact CD1-CD2 4.03Å; F376-L600 HydrophobicContact CD2-CD2 4.47Å; F376-L600 HydrophobicContact CE1-CD2 3.67Å; F376-L600 HydrophobicContact CE1-CG 3.78Å; F376-L600 HydrophobicContact CE2-CD2 4.17Å; F376-L600 HydrophobicContact CG-CD2 4.42Å; F376-L600 HydrophobicContact CZ-CD1 4.37Å; F376-L600 HydrophobicContact CZ-CD2 3.75Å; F376-L600 HydrophobicContact CZ-CG 3.73Å; F376-L600 VanDerWaalsContact O-CD2 3.25Å; F376-L600 WeakPolarHBondContact O-CD2 3.29Å
601	K	86.3	Confident	79	Confident	96 Å²	96	57.9 Å²	57.9	42%	0.417	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-63.8	138.5	178.3	-65.9	176.1	-178.3	-175.3	0	109.6	R363 D599	R363-K601 PolarHBondContact NH1-O 2.94Å; R363-K601 PolarHBondContact NH2-O 3.45Å; R363-K601 VanDerWaalsContact NH2-O 3.16Å; D599-K601 PolarHBondContact O-N 3.15Å
602	P	89.2	Confident	78.4	Confident	108 Å²	108	54.1 Å²	54.1	70%	0.701	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-61.8	160.8	177.6	28.5	-35.7	0	0	0	111	R363	R363-P602 PolarHBondContact NH2-O 3.46Å
603	I	92.4	Very high	78.2	Confident	30 Å²	30	57.4 Å²	57.4	15%	0.154	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-65.5	145.7	172.8	-164.7	173	0	0	0	111.1	L70 R71 F145 Y357 N361 L605	L70-I603 HydrophobicContact CB-CD1 3.76Å; L70-I603 HydrophobicContact CD1-CD1 4.05Å; R71-I603 HydrophobicContact CG-CD1 3.64Å; R71-I603 HydrophobicContact CG-CG2 4.13Å; F145-I603 HydrophobicContact CB-CB 4.3Å; F145-I603 HydrophobicContact CB-CD1 3.94Å; F145-I603 HydrophobicContact CB-CG1 4.49Å; F145-I603 HydrophobicContact CD1-CB 3.65Å; F145-I603 HydrophobicContact CD1-CD1 4.32Å; F145-I603 HydrophobicContact CD1-CG1 4Å; F145-I603 HydrophobicContact CD2-CD1 3.92Å; F145-I603 HydrophobicContact CD2-CG1 4.25Å; F145-I603 HydrophobicContact CE1-CB 4.09Å; F145-I603 HydrophobicContact CE1-CG1 4.23Å; F145-I603 HydrophobicContact CE2-CD1 4.5Å; F145-I603 HydrophobicContact CE2-CG1 4.47Å; F145-I603 HydrophobicContact CG-CB 3.99Å; F145-I603 HydrophobicContact CG-CD1 3.8Å; F145-I603 HydrophobicContact CG-CG1 3.99Å; F145-I603 HydrophobicContact CZ-CG1 4.45Å; Y357-I603 HydrophobicContact CE2-CD1 3.94Å; Y357-I603 HydrophobicContact CE2-CG1 4.21Å; Y357-I603 WeakPolarHBondContact OH-CD1 3.49Å; N361-I603 HydrophobicContact CB-CG1 4.29Å; N361-I603 VanDerWaalsContact CG-CG1 3.45Å; N361-I603 WeakPolarHBondContact OD1-CG1 3.5Å; I603-L605 HydrophobicContact CG2-CD2 3.97Å; I603-L605 HydrophobicContact CG2-CG 4.4Å
604	I	90.8	Very high	77.4	Confident	54 Å²	54	58.3 Å²	58.3	28%	0.277	34%	0.342	S	S	.	.			trans	-92.7	114.4	176.8	-50.2	177.5	0	0	0	107.7	Y357 V360 N361 L577 F608	Y357-I604 WeakPolarHBondContact CE2-O 3.27Å; V360-I604 HydrophobicContact CG1-CB 3.95Å; V360-I604 HydrophobicContact CG1-CD1 3.91Å; V360-I604 HydrophobicContact CG1-CG1 4.49Å; V360-I604 HydrophobicContact CG1-CG2 4.01Å; N361-I604 PolarHBondContact ND2-O 3.21Å; N361-I604 PolarHBondContact OD1-N 3.44Å; L577-I604 HydrophobicContact CD2-CD1 3.37Å; I604-F608 HydrophobicContact CB-CE1 4.43Å; I604-F608 HydrophobicContact CG2-CD1 4.23Å; I604-F608 HydrophobicContact CG2-CE1 3.81Å
605	L	93.8	Very high	76.4	Confident	70 Å²	70	55.8 Å²	55.8	37%	0.366	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-88.2	146.1	-178.6	-61	176.1	0	0	0	111.1	L215 Y357 I603	L215-L605 HydrophobicContact CD1-CB 4.08Å; L215-L605 HydrophobicContact CD1-CD1 4.35Å; Y357-L605 HydrophobicContact CE2-CD2 4.4Å; I603-L605 HydrophobicContact CG2-CD2 3.97Å; I603-L605 HydrophobicContact CG2-CG 4.4Å
606	P	92.5	Very high	75.1	Confident	7 Å²	7	64.2 Å²	64.2	5%	0.045	38%	0.377	C	S	.	.	S	Bend	trans	-64.6	161.8	168.8	23.3	-27.8	0	0	0	111.7	E211 V214 L215 F608	E211-P606 HydrophobicContact CB-CB 3.92Å; E211-P606 WeakPolarHBondContact O-CB 3.18Å; V214-P606 HydrophobicContact CB-CG 4.27Å; V214-P606 HydrophobicContact CG1-CG 4.19Å; L215-P606 HydrophobicContact CB-CG 4.12Å; P606-F608 HydrophobicContact CB-CD2 4.31Å; P606-F608 HydrophobicContact CB-CE2 3.82Å; P606-F608 HydrophobicContact CB-CZ 3.92Å; P606-F608 HydrophobicContact CG-CE2 4.5Å; P606-F608 HydrophobicContact CG-CZ 4.37Å
607	P	91.3	Very high	74	Confident	51 Å²	51	71.6 Å²	71.6	33%	0.331	41%	0.411	S	S	.	.	P	Polyproline II helix	cis	-80.7	141.9	1.5	31.8	-33.6	0	0	0	113.9	Y208 E211	Y208-P607 HydrophobicContact CD2-CB 3.86Å; Y208-P607 HydrophobicContact CD2-CG 4.13Å; Y208-P607 HydrophobicContact CE2-CB 3.87Å; Y208-P607 HydrophobicContact CE2-CG 3.59Å; E211-P607 HydrophobicContact CB-CB 3.91Å; E211-P607 WeakPolarHBondContact OE2-CA 3.29Å; E211-P607 WeakPolarHBondContact OE2-CB 3.03Å
608	F	85.8	Confident	72.9	Confident	21 Å²	21	70.8 Å²	70.8	9%	0.092	40%	0.399	C	S	.	.			trans	-91.7	-17.1	175.5	-47.9	-62.6	0	0	0	111.8	E211 R356 Y357 V360 V580 I604 P606	E211-F608 HydrophobicContact CG-CD2 4.46Å; E211-F608 PolarHBondContact OE2-N 3.35Å; R356-F608 HydrophobicContact CG-CD2 3.88Å; R356-F608 HydrophobicContact CG-CE2 4.31Å; Y357-F608 AromaticContact CD2-CZ 3.93Å; Y357-F608 HydrophobicContact CD2-CZ 3.93Å; V360-F608 HydrophobicContact CB-CE1 4.23Å; V360-F608 HydrophobicContact CB-CZ 4.27Å; V360-F608 HydrophobicContact CG1-CD1 4.08Å; V360-F608 HydrophobicContact CG1-CE1 3.76Å; V360-F608 HydrophobicContact CG1-CZ 4.27Å; V360-F608 HydrophobicContact CG2-CD1 4.37Å; V360-F608 HydrophobicContact CG2-CD2 4.41Å; V360-F608 HydrophobicContact CG2-CE1 4.44Å; V360-F608 HydrophobicContact CG2-CE2 4.47Å; V360-F608 HydrophobicContact CG2-CG 4.36Å; V360-F608 HydrophobicContact CG2-CZ 4.5Å; V580-F608 HydrophobicContact CG1-CB 4.22Å; I604-F608 HydrophobicContact CB-CE1 4.43Å; I604-F608 HydrophobicContact CG2-CD1 4.23Å; I604-F608 HydrophobicContact CG2-CE1 3.81Å; P606-F608 HydrophobicContact CB-CD2 4.31Å; P606-F608 HydrophobicContact CB-CE2 3.82Å; P606-F608 HydrophobicContact CB-CZ 3.92Å; P606-F608 HydrophobicContact CG-CE2 4.5Å; P606-F608 HydrophobicContact CG-CZ 4.37Å
609	T	78.4	Confident	71.4	Confident	10 Å²	10	73 Å²	73	6%	0.061	40%	0.402	C	S	.	.	S	Bend	trans	-97.1	141.6	174	57.7	0	0	0	0	110.3	Y208 E211	Y208-T609 WeakPolarHBondContact CD2-O 3.28Å; E211-T609 PolarHBondContact OE2-N 3.23Å; E211-T609 PolarHBondContact OE2-OG1 3.03Å
610	K	72.4	Confident	69.8	Low	118 Å²	118	71.7 Å²	71.7	51%	0.513	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-77.1	140.7	172	-69.1	177.6	177.1	175.1	0	109.2	D530	D530-K610 IonicContact OD1-NZ 3.44Å; D530-K610 PolarHBondContact OD1-NZ 3.1Å
611	S	68.9	Low	68.1	Low	68 Å²	68	72.9 Å²	72.9	48%	0.476	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-53.9	126.5	173.1	-177.7	0	0	0	0	109.6
612	P	68.3	Low	66.6	Low	22 Å²	22	69.8 Å²	69.8	14%	0.143	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-64.8	143.8	-178.7	25.1	-32	0	0	0	110.9	R204 N205 V614	R204-P612 HydrophobicContact CB-CB 4.44Å; R204-P612 HydrophobicContact CG-CB 4.24Å; R204-P612 HydrophobicContact CG-CG 4.44Å; N205-P612 HydrophobicContact CB-CG 3.84Å; P612-V614 PolarHBondContact O-N 3Å
613	L	59.5	Low	64.7	Low	68 Å²	68	67.8 Å²	67.8	36%	0.356	38%	0.375	S	S	.	.			trans	-72.8	98.8	167.1	-61.4	178.4	0	0	0	107.5	G444 V476 S615	G444-L613 VanDerWaalsContact N-CD1 3.3Å; V476-L613 HydrophobicContact CG1-CD1 4.33Å; V476-L613 HydrophobicContact CG2-CB 4.08Å; V476-L613 HydrophobicContact CG2-CD1 4.36Å; L613-S615 PolarHBondContact O-N 3.45Å
614	V	50.8	Low	62.8	Low	83 Å²	83	67.5 Å²	67.5	50%	0.503	38%	0.375	S	S	.	.			trans	-68.8	112.2	-176.2	-176.3	0	0	0	0	109.4	P612	P612-V614 PolarHBondContact O-N 3Å
615	S	41.5	Very low	60.6	Low	73 Å²	73	72 Å²	72	51%	0.51	40%	0.396	S	S	.	.			trans	-66.5	127.1	157.1	167.6	0	0	0	0	107.5	L613 Q617	L613-S615 PolarHBondContact O-N 3.45Å; S615-Q617 PolarHBondContact O-N 3.08Å
616	M	38.9	Very low	58.3	Low	188 Å²	188	70 Å²	70	93%	0.926	39%	0.388	S	S	*	.	S	Bend	trans	-69.2	36.5	-178.3	-65.2	-167.9	81	0	0	114
617	Q	40.8	Very low	55.7	Low	168 Å²	168	79.4 Å²	79.4	79%	0.785	43%	0.431	S	S	*	.			trans	-102	65.8	173.7	-69.4	-179.7	-26.4	0	0	109.5	S615	S615-Q617 PolarHBondContact O-N 3.08Å
618	A	41.8	Very low	53.3	Low	41 Å²	41	80 Å²	80	34%	0.339	45%	0.446	S	S	.	.			trans	-80.6	116.2	168.7	0	0	0	0	0	108.9	N620	A618-N620 PolarHBondContact O-N 3.19Å; A618-N620 PolarHBondContact O-OD1 2.78Å
619	T	46.2	Very low	51.4	Low	97 Å²	97	85.7 Å²	85.7	60%	0.595	48%	0.478	S	S	*	.			trans	-70.3	96.3	167.5	47.6	0	0	0	0	108	N200 T621	N200-T619 PolarHBondContact OD1-O 3.44Å; T619-T621 PolarHBondContact O-N 3.27Å
620	N	48.3	Very low	49.9	Very low	93 Å²	93	91.1 Å²	91.1	50%	0.497	50%	0.5	S	S	.	.			trans	-73.5	16.1	-168.4	-70.7	-33.8	0	0	0	115.1	A618 G636	A618-N620 PolarHBondContact O-N 3.19Å; A618-N620 PolarHBondContact O-OD1 2.78Å; N620-G636 WeakPolarHBondContact O-CA 3.47Å; N620-G636 PolarHBondContact O-N 3.41Å
621	T	52.3	Low	48.9	Very low	64 Å²	64	86.2 Å²	86.2	39%	0.393	48%	0.48	S	S	.	.			trans	-141.9	125.2	178.6	-44.8	0	0	0	0	111.3	T619 R634 F656	T619-T621 PolarHBondContact O-N 3.27Å; T621-R634 WeakPolarHBondContact CG2-O 3.4Å; T621-F656 HydrophobicContact CG2-CD1 3.4Å; T621-F656 VanDerWaalsContact CG2-CD1 3.4Å; T621-F656 HydrophobicContact CG2-CD2 4.45Å; T621-F656 HydrophobicContact CG2-CE1 3.12Å; T621-F656 HydrophobicContact CG2-CE2 4.21Å; T621-F656 HydrophobicContact CG2-CG 4.1Å; T621-F656 HydrophobicContact CG2-CZ 3.57Å
622	V	54.5	Low	48.5	Very low	31 Å²	31	84.9 Å²	84.9	19%	0.188	47%	0.465	C	S	.	.			trans	-131.7	132.4	178.8	-175.2	0	0	0	0	108.5	A199 V624 R634 W641	A199-V622 HydrophobicContact CB-CG2 4.26Å; A199-V622 VanDerWaalsContact O-CG2 3.26Å; A199-V622 WeakPolarHBondContact O-CG2 3.48Å; V622-V624 HydrophobicContact CG1-CG2 4.18Å; V622-R634 PolarHBondContact O-N 2.79Å; V622-W641 HydrophobicContact CB-CH2 4.28Å; V622-W641 HydrophobicContact CG1-CH2 4.19Å
623	M	48.8	Very low	48.1	Very low	66 Å²	66	84 Å²	84	33%	0.325	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.6	171.8	-177	-178.4	-75.1	0	0	108.6	W632 V633 M649 I653 F656	M623-W632 WeakPolarHBondContact CA-O 2.97Å; M623-V633 HydrophobicContact CB-CG2 4.47Å; M623-V633 HydrophobicContact CE-CG2 3.79Å; M623-V633 HydrophobicContact CG-CG2 4.07Å; M623-M649 HydrophobicContact CE-CE 3.94Å; M623-M649 HydrophobicContact SD-CE 4.14Å; M623-I653 HydrophobicContact CE-CG1 4.15Å; M623-F656 HydrophobicContact CE-CD2 4.13Å; M623-F656 HydrophobicContact CE-CE2 4.15Å
624	V	53.2	Low	48.1	Very low	25 Å²	25	81 Å²	81	15%	0.152	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	118.7	178.7	180	0	0	0	0	108.7	P339 P341 V622 T626 W632 W641	P339-V624 HydrophobicContact CB-CB 4.31Å; P339-V624 HydrophobicContact CB-CG1 4.02Å; P339-V624 HydrophobicContact CG-CB 4.4Å; P341-V624 HydrophobicContact CB-CG1 4.46Å; P341-V624 HydrophobicContact CG-CG1 4.19Å; V622-V624 HydrophobicContact CG1-CG2 4.18Å; V624-T626 HydrophobicContact CG1-CG2 4.44Å; V624-W632 PolarHBondContact N-O 3.21Å; V624-W632 PolarHBondContact O-N 3.04Å; V624-W641 HydrophobicContact CB-CZ3 4.29Å; V624-W641 HydrophobicContact CG2-CH2 3.62Å; V624-W641 HydrophobicContact CG2-CZ3 3.72Å
625	M	45.7	Very low	48.5	Very low	147 Å²	147	80.1 Å²	80.1	72%	0.724	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	138.1	173.2	-52.6	-171.8	-38.4	0	0	109.2
626	T	44.8	Very low	49.1	Very low	30 Å²	30	77.4 Å²	77.4	18%	0.184	42%	0.421	C	S	.	.			trans	-120.3	157.1	177.5	60	0	0	0	0	110.5	P341 V624 G628 K630	P341-T626 HydrophobicContact CG-CG2 3.8Å; V624-T626 HydrophobicContact CG1-CG2 4.44Å; T626-G628 PolarHBondContact O-N 3.47Å; T626-K630 PolarHBondContact N-O 3.33Å; T626-K630 WeakPolarHBondContact OG1-CB 3.45Å; T626-K630 PolarHBondContact OG1-O 3.32Å
627	E	36.8	Very low	49.7	Very low	203 Å²	203	74.4 Å²	74.4	95%	0.949	42%	0.416	S	S	*	.	S	Bend	trans	-61.4	128.6	175.1	-70.3	-179.7	167.3	0	0	110.2
628	G	41.2	Very low	50.5	Low	63 Å²	63	70.2 Å²	70.2	65%	0.649	40%	0.402	S	S	*	.	S	Bend	trans	98.7	40.6	-179.4	0	0	0	0	0	116.2	T626 K630	T626-G628 PolarHBondContact O-N 3.47Å; G628-K630 PolarHBondContact O-N 2.99Å
629	D	45.6	Very low	51.3	Low	142 Å²	142	74.3 Å²	74.3	76%	0.759	41%	0.412	S	S	*	.	S	Bend	trans	59.2	12.2	173.5	-63.4	-23.7	0	0	0	117
630	K	46.9	Very low	52	Low	124 Å²	124	75.4 Å²	75.4	54%	0.539	41%	0.414	S	S	.	.			trans	-92.3	118.2	176	-72.5	177.1	-171.5	175.1	0	110.4	T626 G628 L643	T626-K630 PolarHBondContact N-O 3.33Å; T626-K630 WeakPolarHBondContact OG1-CB 3.45Å; T626-K630 PolarHBondContact OG1-O 3.32Å; G628-K630 PolarHBondContact O-N 2.99Å; K630-L643 HydrophobicContact CB-CD1 3.92Å; K630-L643 HydrophobicContact CG-CD1 4.2Å
631	S	52.2	Low	52.8	Low	14 Å²	14	72.3 Å²	72.3	10%	0.098	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.5	178	-66.5	0	0	0	0	111	V644	S631-V644 WeakPolarHBondContact O-CB 3.08Å; S631-V644 PolarHBondContact O-N 3.3Å
632	W	60.6	Low	53.7	Low	40 Å²	40	74.8 Å²	74.8	15%	0.152	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.9	179.2	-70.7	84	0	0	0	110.7	P336 P339 M623 V624 W641 K642 L643	P336-W632 WeakPolarHBondContact O-CH2 3.31Å; P339-W632 HydrophobicContact CB-CB 4.28Å; P339-W632 HydrophobicContact CB-CD2 4.47Å; P339-W632 HydrophobicContact CB-CG 4Å; P339-W632 HydrophobicContact CG-CB 3.69Å; P339-W632 HydrophobicContact CG-CD2 4.06Å; P339-W632 HydrophobicContact CG-CE3 4.49Å; P339-W632 HydrophobicContact CG-CG 3.72Å; M623-W632 WeakPolarHBondContact CA-O 2.97Å; V624-W632 PolarHBondContact N-O 3.21Å; V624-W632 PolarHBondContact O-N 3.04Å; W632-W641 HydrophobicContact CB-CE3 3.95Å; W632-W641 HydrophobicContact CB-CZ3 4.25Å; W632-W641 HydrophobicContact CE3-CB 3.86Å; W632-W641 HydrophobicContact CZ3-CB 4.08Å; W632-K642 WeakPolarHBondContact CA-O 3.24Å; W632-L643 HydrophobicContact CD2-CB 4.45Å; W632-L643 HydrophobicContact CD2-CD1 4.12Å; W632-L643 HydrophobicContact CE3-CB 4.4Å; W632-L643 HydrophobicContact CG-CD1 4.33Å; W632-L643 HydrophobicContact CH2-CB 4.43Å; W632-L643 HydrophobicContact CZ2-CB 4.43Å; W632-L643 HydrophobicContact CZ2-CD1 4.11Å; W632-L643 HydrophobicContact CZ3-CB 4.41Å
633	V	59	Low	54.1	Low	3 Å²	3	77.3 Å²	77.3	2%	0.018	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.4	176.6	172.4	0	0	0	0	109.8	M623 K642 V644 M649 L652 F656	M623-V633 HydrophobicContact CB-CG2 4.47Å; M623-V633 HydrophobicContact CE-CG2 3.79Å; M623-V633 HydrophobicContact CG-CG2 4.07Å; V633-K642 PolarHBondContact N-O 2.85Å; V633-K642 PolarHBondContact O-N 2.85Å; V633-V644 HydrophobicContact CB-CG2 3.69Å; V633-V644 HydrophobicContact CG2-CB 4.44Å; V633-V644 HydrophobicContact CG2-CG2 3.55Å; V633-M649 HydrophobicContact CG2-CE 4.41Å; V633-L652 HydrophobicContact CG1-CD2 4.49Å; V633-L652 HydrophobicContact CG2-CD1 4.37Å; V633-F656 HydrophobicContact CG1-CE2 3.75Å; V633-F656 HydrophobicContact CG1-CZ 3.53Å; V633-F656 HydrophobicContact CG2-CE2 4.41Å
634	R	60.3	Low	54.8	Low	7 Å²	7	74.4 Å²	74.4	3%	0.026	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.3	172.1	-169.2	177.6	-177.2	-156.9	-1.6	110	D196 N200 T621 V622 W641	D196-R634 IonicContact OD1-CZ 3.04Å; D196-R634 VanDerWaalsContact OD1-CZ 3.25Å; D196-R634 IonicContact OD1-NE 3.5Å; D196-R634 IonicContact OD1-NH1 3.91Å; D196-R634 IonicContact OD1-NH2 2.64Å; D196-R634 PolarHBondContact OD1-NH2 2.96Å; D196-R634 IonicContact OD2-NH2 3.92Å; D196-R634 PolarHBondContact OD2-NH2 3.18Å; N200-R634 PolarHBondContact ND2-NH1 3.16Å; N200-R634 PolarHBondContact OD1-NH1 2.76Å; N200-R634 VanDerWaalsContact OD1-NH1 3.09Å; T621-R634 WeakPolarHBondContact CG2-O 3.4Å; V622-R634 PolarHBondContact O-N 2.79Å; R634-W641 HydrophobicContact CB-CD2 4.19Å; R634-W641 HydrophobicContact CB-CE3 4.02Å; R634-W641 HydrophobicContact CB-CH2 4.19Å; R634-W641 HydrophobicContact CB-CZ2 4.33Å; R634-W641 HydrophobicContact CB-CZ3 4.02Å
635	V	59.7	Low	55.4	Low	64 Å²	64	79.4 Å²	79.4	39%	0.388	42%	0.418	S	S	.	.			trans	-89	117.2	-179.1	-179.1	0	0	0	0	109.7	T638 K639 L640	V635-T638 PolarHBondContact O-N 2.87Å; V635-T638 VanDerWaalsContact O-N 3.13Å; V635-T638 PolarHBondContact O-OG1 2.84Å; V635-K639 PolarHBondContact O-N 3.05Å; V635-L640 PolarHBondContact N-O 3.4Å
636	G	54	Low	55.8	Low	15 Å²	15	76.3 Å²	76.3	16%	0.155	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-48.9	-164.8	0	0	0	0	0	118.8	N620 T638	N620-G636 WeakPolarHBondContact O-CA 3.47Å; N620-G636 PolarHBondContact O-N 3.41Å; G636-T638 VanDerWaalsContact C-N 3.34Å; G636-T638 PolarHBondContact O-N 2.92Å
637	P	52.4	Low	56.2	Low	126 Å²	126	82.2 Å²	82.2	82%	0.818	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-24.3	179.5	23.5	-31.1	0	0	0	113.8
638	T	55.5	Low	57.2	Low	79 Å²	79	76.2 Å²	76.2	49%	0.485	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-16.6	-176.1	60.5	0	0	0	0	113.5	V635 G636 L640	V635-T638 PolarHBondContact O-N 2.87Å; V635-T638 VanDerWaalsContact O-N 3.13Å; V635-T638 PolarHBondContact O-OG1 2.84Å; G636-T638 VanDerWaalsContact C-N 3.34Å; G636-T638 PolarHBondContact O-N 2.92Å; T638-L640 PolarHBondContact O-N 3.02Å
639	K	60.3	Low	57.8	Low	127 Å²	127	74.5 Å²	74.5	55%	0.552	38%	0.382	S	S	*	.			trans	56.3	7.5	-173.6	-58.9	-177.5	177.6	-175.8	0	115	V635	V635-K639 PolarHBondContact O-N 3.05Å
640	L	60.3	Low	58.3	Low	121 Å²	121	71.3 Å²	71.3	63%	0.634	37%	0.368	S	S	*	.			trans	-82.2	140.7	-178.8	-67.8	169.7	0	0	0	110.7	V635 T638	V635-L640 PolarHBondContact N-O 3.4Å; T638-L640 PolarHBondContact O-N 3.02Å
641	W	66	Low	58.8	Low	28 Å²	28	70 Å²	70	11%	0.106	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	129.3	170.7	-71.9	97.1	0	0	0	109.4	A199 D337 L338 P339 V622 V624 W632 R634	A199-W641 HydrophobicContact CB-CH2 4.47Å; A199-W641 HydrophobicContact CB-CZ2 3.95Å; D337-W641 WeakPolarHBondContact O-CB 3.49Å; L338-W641 VanDerWaalsContact CD2-CD1 3.43Å; L338-W641 HydrophobicContact CD2-CG 4.33Å; P339-W641 HydrophobicContact CG-CD2 3.76Å; P339-W641 HydrophobicContact CG-CE3 3.45Å; P339-W641 VanDerWaalsContact CG-CE3 3.45Å; P339-W641 HydrophobicContact CG-CG 4.43Å; P339-W641 HydrophobicContact CG-CH2 4.12Å; P339-W641 HydrophobicContact CG-CZ2 4.39Å; P339-W641 HydrophobicContact CG-CZ3 3.65Å; V622-W641 HydrophobicContact CB-CH2 4.28Å; V622-W641 HydrophobicContact CG1-CH2 4.19Å; V624-W641 HydrophobicContact CB-CZ3 4.29Å; V624-W641 HydrophobicContact CG2-CH2 3.62Å; V624-W641 HydrophobicContact CG2-CZ3 3.72Å; W632-W641 HydrophobicContact CB-CE3 3.95Å; W632-W641 HydrophobicContact CB-CZ3 4.25Å; W632-W641 HydrophobicContact CE3-CB 3.86Å; W632-W641 HydrophobicContact CZ3-CB 4.08Å; R634-W641 HydrophobicContact CB-CD2 4.19Å; R634-W641 HydrophobicContact CB-CE3 4.02Å; R634-W641 HydrophobicContact CB-CH2 4.19Å; R634-W641 HydrophobicContact CB-CZ2 4.33Å; R634-W641 HydrophobicContact CB-CZ3 4.02Å
642	K	69.7	Low	59.1	Low	115 Å²	115	70.9 Å²	70.9	50%	0.5	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.9	175.7	-169.6	-171.7	173.4	-159.5	0	109.5	W632 V633 E648	W632-K642 WeakPolarHBondContact CA-O 3.24Å; V633-K642 PolarHBondContact N-O 2.85Å; V633-K642 PolarHBondContact O-N 2.85Å; K642-E648 IonicContact NZ-OE2 2.71Å
643	L	64.4	Low	58.9	Low	84 Å²	84	73 Å²	73	44%	0.44	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	129	167.4	-171	73.9	0	0	0	109.1	K630 W632	K630-L643 HydrophobicContact CB-CD1 3.92Å; K630-L643 HydrophobicContact CG-CD1 4.2Å; W632-L643 HydrophobicContact CD2-CB 4.45Å; W632-L643 HydrophobicContact CD2-CD1 4.12Å; W632-L643 HydrophobicContact CE3-CB 4.4Å; W632-L643 HydrophobicContact CG-CD1 4.33Å; W632-L643 HydrophobicContact CH2-CB 4.43Å; W632-L643 HydrophobicContact CZ2-CB 4.43Å; W632-L643 HydrophobicContact CZ2-CD1 4.11Å; W632-L643 HydrophobicContact CZ3-CB 4.41Å
644	V	62.2	Low	58.8	Low	5 Å²	5	80.6 Å²	80.6	3%	0.03	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.1	-176.1	-179.9	0	0	0	0	109	S631 V633 E648 M649 L652	S631-V644 WeakPolarHBondContact O-CB 3.08Å; S631-V644 PolarHBondContact O-N 3.3Å; V633-V644 HydrophobicContact CB-CG2 3.69Å; V633-V644 HydrophobicContact CG2-CB 4.44Å; V633-V644 HydrophobicContact CG2-CG2 3.55Å; V644-E648 HydrophobicContact CG1-CB 3.8Å; V644-M649 HydrophobicContact CB-CE 3.83Å; V644-M649 HydrophobicContact CG1-CE 3.55Å; V644-M649 HydrophobicContact CG1-CG 4.43Å; V644-L652 HydrophobicContact CB-CD1 4.3Å; V644-L652 HydrophobicContact CG1-CD1 3.41Å; V644-L652 VanDerWaalsContact CG1-CD1 3.41Å; V644-L652 HydrophobicContact CG2-CD1 3.83Å
645	K	65.6	Low	58.6	Low	130 Å²	130	88.1 Å²	88.1	57%	0.565	45%	0.446	S	S	*	.			trans	-73.4	149.6	174.3	-64.7	-178.5	178.9	-178	0	110.4	E647 E648	K645-E647 PolarHBondContact O-N 3.24Å; K645-E647 VanDerWaalsContact O-N 3.09Å; K645-E648 PolarHBondContact O-N 2.04Å
646	P	54.4	Low	58.3	Low	82 Å²	82	88.4 Å²	88.4	53%	0.532	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-52.3	-33.6	178.6	-28.2	35.5	0	0	0	114.2	E648 M649	P646-E648 VanDerWaalsContact C-N 3.33Å; P646-E648 PolarHBondContact O-N 3.05Å; P646-M649 WeakPolarHBondContact O-CB 3.37Å; P646-M649 PolarHBondContact O-N 3.29Å
647	E	52.8	Low	58	Low	154 Å²	154	91.9 Å²	91.9	72%	0.72	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-65.7	-30.1	178.4	-62	138.4	-155.3	0	0	113.7	K645 P650	K645-E647 PolarHBondContact O-N 3.24Å; K645-E647 VanDerWaalsContact O-N 3.09Å; E647-P650 WeakPolarHBondContact O-CD 3.05Å
648	E	57.9	Low	57.7	Low	78 Å²	78	90.2 Å²	90.2	36%	0.364	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-88.1	-8.8	-179.1	-67.1	-179.1	-164.2	0	0	112.4	K642 V644 K645 P646 L652	K642-E648 IonicContact NZ-OE2 2.71Å; V644-E648 HydrophobicContact CG1-CB 3.8Å; K645-E648 PolarHBondContact O-N 2.04Å; P646-E648 VanDerWaalsContact C-N 3.33Å; P646-E648 PolarHBondContact O-N 3.05Å; E648-L652 HydrophobicContact CB-CD1 4.37Å; E648-L652 WeakPolarHBondContact O-CD1 3.44Å; E648-L652 PolarHBondContact O-N 3.17Å
649	M	54.8	Low	57	Low	27 Å²	27	94.6 Å²	94.6	13%	0.133	46%	0.461	C	S	.	.	H	α-helix	trans	-61.6	-47.5	-176.8	-72.3	-98.5	103.5	0	0	113.9	M623 V633 V644 P646 D651 L652 I653	M623-M649 HydrophobicContact CE-CE 3.94Å; M623-M649 HydrophobicContact SD-CE 4.14Å; V633-M649 HydrophobicContact CG2-CE 4.41Å; V644-M649 HydrophobicContact CB-CE 3.83Å; V644-M649 HydrophobicContact CG1-CE 3.55Å; V644-M649 HydrophobicContact CG1-CG 4.43Å; P646-M649 WeakPolarHBondContact O-CB 3.37Å; P646-M649 PolarHBondContact O-N 3.29Å; M649-D651 VanDerWaalsContact C-N 3.33Å; M649-D651 PolarHBondContact O-N 3.44Å; M649-L652 PolarHBondContact O-N 3.18Å; M649-I653 WeakPolarHBondContact O-CG1 3.47Å; M649-I653 PolarHBondContact O-N 3.33Å
650	P	54.8	Low	56	Low	74 Å²	74	94.8 Å²	94.8	48%	0.481	47%	0.465	S	S	.	.	H	α-helix	trans	-63.5	-38	-174.9	-20.9	33.6	0	0	0	112.7	E647 R654	E647-P650 WeakPolarHBondContact O-CD 3.05Å; P650-R654 PolarHBondContact O-N 2.92Å
651	D	58.2	Low	55.1	Low	96 Å²	96	94.9 Å²	94.9	51%	0.513	47%	0.467	S	S	.	.	H	α-helix	trans	-72.5	-32.5	179.7	-75.4	-21.3	0	0	0	112.7	M649 K655	M649-D651 VanDerWaalsContact C-N 3.33Å; M649-D651 PolarHBondContact O-N 3.44Å; D651-K655 PolarHBondContact O-N 3.35Å
652	L	59.1	Low	53.8	Low	34 Å²	34	101.5 Å²	101.5	18%	0.178	50%	0.499	C	S	.	.	H	α-helix	trans	-71.5	-43.5	174	-80.7	163.1	0	0	0	111.4	V633 V644 E648 M649 R654 K655 F656	V633-L652 HydrophobicContact CG1-CD2 4.49Å; V633-L652 HydrophobicContact CG2-CD1 4.37Å; V644-L652 HydrophobicContact CB-CD1 4.3Å; V644-L652 HydrophobicContact CG1-CD1 3.41Å; V644-L652 VanDerWaalsContact CG1-CD1 3.41Å; V644-L652 HydrophobicContact CG2-CD1 3.83Å; E648-L652 HydrophobicContact CB-CD1 4.37Å; E648-L652 WeakPolarHBondContact O-CD1 3.44Å; E648-L652 PolarHBondContact O-N 3.17Å; M649-L652 PolarHBondContact O-N 3.18Å; L652-R654 VanDerWaalsContact C-N 3.29Å; L652-R654 PolarHBondContact O-N 3.48Å; L652-K655 PolarHBondContact O-N 3.01Å; L652-F656 HydrophobicContact CB-CD2 4.3Å; L652-F656 HydrophobicContact CB-CE2 3.78Å; L652-F656 HydrophobicContact CD2-CE2 3.77Å; L652-F656 HydrophobicContact CD2-CZ 3.72Å; L652-F656 HydrophobicContact CG-CE2 4.37Å; L652-F656 WeakPolarHBondContact O-CD2 3.49Å; L652-F656 WeakPolarHBondContact O-CE2 3.44Å; L652-F656 VanDerWaalsContact O-CG 3.26Å; L652-F656 WeakPolarHBondContact O-CG 3.32Å; L652-F656 PolarHBondContact O-N 2.89Å
653	I	55	Low	52.3	Low	83 Å²	83	101.7 Å²	101.7	43%	0.426	50%	0.503	S	S	.	.	H	α-helix	trans	-58.6	-42	174.3	-67.2	167.7	0	0	0	110.8	M623 M649 K655 F656 N657	M623-I653 HydrophobicContact CE-CG1 4.15Å; M649-I653 WeakPolarHBondContact O-CG1 3.47Å; M649-I653 PolarHBondContact O-N 3.33Å; I653-K655 VanDerWaalsContact C-N 3.32Å; I653-K655 PolarHBondContact O-N 2.7Å; I653-F656 PolarHBondContact O-N 2.6Å; I653-N657 PolarHBondContact O-N 2.92Å
654	R	57	Low	51.4	Low	163 Å²	163	101.3 Å²	101.3	62%	0.615	51%	0.507	S	S	*	.	H	α-helix	trans	-61	-34.3	173.9	-83.1	179.3	174.3	170.3	-1.9	113.9	P650 L652	P650-R654 PolarHBondContact O-N 2.92Å; L652-R654 VanDerWaalsContact C-N 3.29Å; L652-R654 PolarHBondContact O-N 3.48Å
655	K	55.7	Low	50.7	Low	166 Å²	166	106 Å²	106	72%	0.722	54%	0.54	S	S	*	.	H	α-helix	trans	-75.9	-26.3	176	-77.7	177.3	-180	172.3	0	113.1	D651 L652 I653	D651-K655 PolarHBondContact O-N 3.35Å; L652-K655 PolarHBondContact O-N 3.01Å; I653-K655 VanDerWaalsContact C-N 3.32Å; I653-K655 PolarHBondContact O-N 2.7Å
656	F	53.8	Low	50.1	Low	70 Å²	70	102.1 Å²	102.1	31%	0.307	54%	0.536	S	S	.	.	H	α-helix	trans	-90.4	-18.1	-175.6	-61.4	-42.9	0	0	0	114.5	T621 M623 V633 L652 I653 P658	T621-F656 HydrophobicContact CG2-CD1 3.4Å; T621-F656 VanDerWaalsContact CG2-CD1 3.4Å; T621-F656 HydrophobicContact CG2-CD2 4.45Å; T621-F656 HydrophobicContact CG2-CE1 3.12Å; T621-F656 HydrophobicContact CG2-CE2 4.21Å; T621-F656 HydrophobicContact CG2-CG 4.1Å; T621-F656 HydrophobicContact CG2-CZ 3.57Å; M623-F656 HydrophobicContact CE-CD2 4.13Å; M623-F656 HydrophobicContact CE-CE2 4.15Å; V633-F656 HydrophobicContact CG1-CE2 3.75Å; V633-F656 HydrophobicContact CG1-CZ 3.53Å; V633-F656 HydrophobicContact CG2-CE2 4.41Å; L652-F656 HydrophobicContact CB-CD2 4.3Å; L652-F656 HydrophobicContact CB-CE2 3.78Å; L652-F656 HydrophobicContact CD2-CE2 3.77Å; L652-F656 HydrophobicContact CD2-CZ 3.72Å; L652-F656 HydrophobicContact CG-CE2 4.37Å; L652-F656 WeakPolarHBondContact O-CD2 3.49Å; L652-F656 WeakPolarHBondContact O-CE2 3.44Å; L652-F656 VanDerWaalsContact O-CG 3.26Å; L652-F656 WeakPolarHBondContact O-CG 3.32Å; L652-F656 PolarHBondContact O-N 2.89Å; I653-F656 PolarHBondContact O-N 2.6Å; F656-P658 WeakPolarHBondContact O-CD 3.44Å
657	N	47.8	Very low	49.7	Very low	87 Å²	87	102.7 Å²	102.7	47%	0.465	53%	0.532	S	S	.	.			trans	-115.2	84	172.6	-97.5	-19.9	0	0	0	111.8	I653 E659 M660	I653-N657 PolarHBondContact O-N 2.92Å; N657-E659 PolarHBondContact O-N 3.14Å; N657-M660 PolarHBondContact O-N 3.1Å
658	P	47.4	Very low	49.6	Very low	92 Å²	92	102.5 Å²	102.5	60%	0.597	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-68.4	-16.4	174.3	27.2	-32.6	0	0	0	113.3	F656 M660 N661	F656-P658 WeakPolarHBondContact O-CD 3.44Å; P658-M660 VanDerWaalsContact C-N 3.26Å; P658-M660 PolarHBondContact O-N 3.02Å; P658-N661 PolarHBondContact O-N 3.32Å
659	E	40.8	Very low	49.4	Very low	170 Å²	170	100.6 Å²	100.6	79%	0.794	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-69.7	-19.6	177.4	-69.1	-167.7	162	0	0	113.6	N657 N661	N657-E659 PolarHBondContact O-N 3.14Å; E659-N661 PolarHBondContact O-N 3.19Å
660	M	37.8	Very low	49.1	Very low	132 Å²	132	101.5 Å²	101.5	65%	0.65	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-75.2	-10.9	172.1	-95.5	176.4	36.1	0	0	113.8	N657 P658	N657-M660 PolarHBondContact O-N 3.1Å; P658-M660 VanDerWaalsContact C-N 3.26Å; P658-M660 PolarHBondContact O-N 3.02Å
661	N	42.2	Very low	49.2	Very low	123 Å²	123	102.9 Å²	102.9	66%	0.658	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-122.9	15	-175.2	-83.5	-21.1	0	0	0	114	P658 E659 M663	P658-N661 PolarHBondContact O-N 3.32Å; E659-N661 PolarHBondContact O-N 3.19Å; N661-M663 VanDerWaalsContact C-N 3.3Å; N661-M663 PolarHBondContact O-N 3.26Å
662	Q	38.7	Very low	48.9	Very low	167 Å²	167	101 Å²	101	78%	0.78	55%	0.548	S	S	*	.			trans	-74.7	86.4	169.1	-88.5	-169.2	5.1	0	0	110.4	S664	Q662-S664 PolarHBondContact O-N 2.79Å
663	M	37.5	Very low	48.8	Very low	119 Å²	119	106.9 Å²	106.9	59%	0.586	57%	0.572	S	S	*	*			trans	-61.6	130.3	153.2	-70.2	-175.7	98.4	0	0	108.1	N661 E667	N661-M663 VanDerWaalsContact C-N 3.3Å; N661-M663 PolarHBondContact O-N 3.26Å; M663-E667 WeakPolarHBondContact CA-OE2 3.3Å; M663-E667 HydrophobicContact CB-CB 4.49Å; M663-E667 WeakPolarHBondContact CB-OE2 3.38Å; M663-E667 HydrophobicContact CE-CB 4.37Å
664	S	45.6	Very low	48.9	Very low	75 Å²	75	104.9 Å²	104.9	52%	0.524	57%	0.572	S	S	.	*			trans	-57.1	145.2	-177.2	166.2	0	0	0	0	110.2	Q662 G666 E667	Q662-S664 PolarHBondContact O-N 2.79Å; S664-G666 PolarHBondContact O-N 3.48Å; S664-G666 PolarHBondContact OG-N 3.29Å; S664-E667 PolarHBondContact N-OE2 2.94Å; S664-E667 PolarHBondContact O-N 3.09Å
665	S	48.5	Very low	49.2	Very low	105 Å²	105	101.1 Å²	101.1	73%	0.734	57%	0.567	S	S	*	*	H	α-helix	trans	-51.9	-23	172.4	-79.4	0	0	0	0	112.9	A669	S665-A669 PolarHBondContact O-N 2.86Å
666	G	52.6	Low	49.4	Very low	47 Å²	47	99.1 Å²	99.1	49%	0.485	56%	0.562	S	S	.	*	H	α-helix	trans	-65.6	-35.2	172.4	0	0	0	0	0	114.3	S664 G670	S664-G666 PolarHBondContact O-N 3.48Å; S664-G666 PolarHBondContact OG-N 3.29Å; G666-G670 PolarHBondContact O-N 3.31Å
667	E	46.7	Very low	49.9	Very low	94 Å²	94	97.7 Å²	97.7	44%	0.439	57%	0.567	S	S	.	*	H	α-helix	trans	-75.5	-35.7	179.8	-70.2	171.7	117.3	0	0	111.7	M663 S664 G670 V671	M663-E667 WeakPolarHBondContact CA-OE2 3.3Å; M663-E667 HydrophobicContact CB-CB 4.49Å; M663-E667 WeakPolarHBondContact CB-OE2 3.38Å; M663-E667 HydrophobicContact CE-CB 4.37Å; S664-E667 PolarHBondContact N-OE2 2.94Å; S664-E667 PolarHBondContact O-N 3.09Å; E667-G670 PolarHBondContact O-N 3.22Å; E667-V671 WeakPolarHBondContact O-CG2 3.42Å; E667-V671 PolarHBondContact O-N 2.86Å
668	K	50.6	Low	50.9	Low	150 Å²	150	99.5 Å²	99.5	65%	0.652	58%	0.576	S	S	*	*	H	α-helix	trans	-67.2	-39.2	174.7	-65.1	-176.9	-176.2	178.3	0	112.1	A672	K668-A672 PolarHBondContact O-N 2.88Å
669	A	52.6	Low	52	Low	39 Å²	39	99.5 Å²	99.5	32%	0.322	57%	0.57	S	S	.	*	H	α-helix	trans	-68	-42.1	172.7	0	0	0	0	0	111.2	S665 V671 A672 F673	S665-A669 PolarHBondContact O-N 2.86Å; A669-V671 PolarHBondContact O-N 2.88Å; A669-A672 PolarHBondContact O-N 2.95Å; A669-F673 HydrophobicContact CB-CD2 4.17Å; A669-F673 HydrophobicContact CB-CE2 4.17Å; A669-F673 WeakPolarHBondContact O-CB 3.23Å; A669-F673 WeakPolarHBondContact O-CD2 3.46Å; A669-F673 PolarHBondContact O-N 2.8Å
670	G	49.8	Very low	53.3	Low	46 Å²	46	93.7 Å²	93.7	47%	0.474	55%	0.551	S	S	.	*	H	α-helix	trans	-58.4	-42.3	178.3	0	0	0	0	0	113.6	G666 E667 G674	G666-G670 PolarHBondContact O-N 3.31Å; E667-G670 PolarHBondContact O-N 3.22Å; G670-G674 PolarHBondContact O-N 2.64Å
671	V	56	Low	55	Low	102 Å²	102	94 Å²	94	62%	0.618	55%	0.549	S	S	*	.	H	α-helix	trans	-68.9	-41	176.5	176.6	0	0	0	0	111.5	E667 A669 G674 V675	E667-V671 WeakPolarHBondContact O-CG2 3.42Å; E667-V671 PolarHBondContact O-N 2.86Å; A669-V671 PolarHBondContact O-N 2.88Å; V671-G674 PolarHBondContact O-N 3.35Å; V671-V675 VanDerWaalsContact O-CG2 3.26Å; V671-V675 WeakPolarHBondContact O-CG2 3.26Å; V671-V675 PolarHBondContact O-N 2.9Å
672	A	51.9	Low	56.6	Low	57 Å²	57	92.4 Å²	92.4	47%	0.471	54%	0.543	S	S	.	.	H	α-helix	trans	-67.5	-42.8	178.5	0	0	0	0	0	112.6	K668 A669 M676	K668-A672 PolarHBondContact O-N 2.88Å; A669-A672 PolarHBondContact O-N 2.95Å; A672-M676 WeakPolarHBondContact O-CB 3.37Å; A672-M676 VanDerWaalsContact O-CG 3.31Å; A672-M676 WeakPolarHBondContact O-CG 3.43Å; A672-M676 PolarHBondContact O-N 2.95Å
673	F	57	Low	58.3	Low	157 Å²	157	88.3 Å²	88.3	69%	0.689	53%	0.53	S	S	*	.	H	α-helix	trans	-71.7	-33	176	-73.4	-65.3	0	0	0	112.3	A669 M676 G677	A669-F673 HydrophobicContact CB-CD2 4.17Å; A669-F673 HydrophobicContact CB-CE2 4.17Å; A669-F673 WeakPolarHBondContact O-CB 3.23Å; A669-F673 WeakPolarHBondContact O-CD2 3.46Å; A669-F673 PolarHBondContact O-N 2.8Å; F673-M676 PolarHBondContact O-N 3.39Å; F673-G677 PolarHBondContact O-N 3.11Å
674	G	57.5	Low	60	Low	42 Å²	42	87.2 Å²	87.2	43%	0.433	53%	0.525	S	S	.	.	H	α-helix	trans	-62.7	-45.6	172.6	0	0	0	0	0	112.4	G670 V671 G677 L678	G670-G674 PolarHBondContact O-N 2.64Å; V671-G674 PolarHBondContact O-N 3.35Å; G674-G677 PolarHBondContact O-N 3.26Å; G674-L678 WeakPolarHBondContact O-CB 3.37Å; G674-L678 PolarHBondContact O-N 3.38Å
675	V	62.3	Low	61.3	Low	83 Å²	83	86.6 Å²	86.6	50%	0.503	52%	0.518	S	S	.	.	H	α-helix	trans	-67.2	-41.3	177.3	174.2	0	0	0	0	111.4	V671 L678 I679	V671-V675 VanDerWaalsContact O-CG2 3.26Å; V671-V675 WeakPolarHBondContact O-CG2 3.26Å; V671-V675 PolarHBondContact O-N 2.9Å; V675-L678 PolarHBondContact O-N 3.36Å; V675-I679 HydrophobicContact CG1-CD1 3.94Å; V675-I679 VanDerWaalsContact O-CG1 3.27Å; V675-I679 WeakPolarHBondContact O-CG1 3.2Å; V675-I679 PolarHBondContact O-N 3.44Å
676	M	59.9	Low	62.3	Low	124 Å²	124	84.2 Å²	84.2	61%	0.611	51%	0.505	S	S	*	.	H	α-helix	trans	-68.2	-36.7	176.4	-71.7	-63.1	-69.3	0	0	112.7	A672 F673 A680	A672-M676 WeakPolarHBondContact O-CB 3.37Å; A672-M676 VanDerWaalsContact O-CG 3.31Å; A672-M676 WeakPolarHBondContact O-CG 3.43Å; A672-M676 PolarHBondContact O-N 2.95Å; F673-M676 PolarHBondContact O-N 3.39Å; M676-A680 WeakPolarHBondContact O-CB 3.33Å; M676-A680 PolarHBondContact O-N 3.09Å
677	G	65.5	Low	63	Low	41 Å²	41	86 Å²	86	42%	0.423	51%	0.506	S	S	.	.	H	α-helix	trans	-64.9	-39.9	173.8	0	0	0	0	0	112.4	F673 G674 A680 F681	F673-G677 PolarHBondContact O-N 3.11Å; G674-G677 PolarHBondContact O-N 3.26Å; G677-A680 PolarHBondContact O-N 3.36Å; G677-F681 WeakPolarHBondContact O-CB 3.41Å; G677-F681 PolarHBondContact O-N 3.17Å
678	L	67.7	Low	64.1	Low	124 Å²	124	86 Å²	86	65%	0.649	51%	0.508	S	S	*	.	H	α-helix	trans	-70.4	-38.7	178.7	-150.4	134.9	0	0	0	111.6	G674 V675 F681 V682	G674-L678 WeakPolarHBondContact O-CB 3.37Å; G674-L678 PolarHBondContact O-N 3.38Å; V675-L678 PolarHBondContact O-N 3.36Å; L678-F681 PolarHBondContact O-N 3.32Å; L678-V682 HydrophobicContact CD2-CG2 4.47Å; L678-V682 VanDerWaalsContact O-CG2 3.24Å; L678-V682 WeakPolarHBondContact O-CG2 3.43Å; L678-V682 PolarHBondContact O-N 2.81Å
679	I	70.9	Confident	64.6	Low	92 Å²	92	83.7 Å²	83.7	47%	0.472	50%	0.502	S	S	.	.	H	α-helix	trans	-64.7	-44.1	172.4	-67.2	167.1	0	0	0	110.8	V675 F681 V682 V683	V675-I679 HydrophobicContact CG1-CD1 3.94Å; V675-I679 VanDerWaalsContact O-CG1 3.27Å; V675-I679 WeakPolarHBondContact O-CG1 3.2Å; V675-I679 PolarHBondContact O-N 3.44Å; I679-F681 VanDerWaalsContact C-N 3.33Å; I679-F681 PolarHBondContact O-N 3.08Å; I679-V682 PolarHBondContact O-N 3.41Å; I679-V683 HydrophobicContact CG2-CG2 4.49Å; I679-V683 VanDerWaalsContact O-CG2 3.28Å; I679-V683 WeakPolarHBondContact O-CG2 3.13Å; I679-V683 PolarHBondContact O-N 2.96Å
680	A	68.3	Low	64.9	Low	48 Å²	48	90.2 Å²	90.2	40%	0.397	52%	0.519	S	S	.	.	H	α-helix	trans	-62.5	-40.7	176.5	0	0	0	0	0	111.8	M676 G677 V683 I684	M676-A680 WeakPolarHBondContact O-CB 3.33Å; M676-A680 PolarHBondContact O-N 3.09Å; G677-A680 PolarHBondContact O-N 3.36Å; A680-V683 PolarHBondContact O-N 2.67Å; A680-I684 WeakPolarHBondContact O-CB 3.48Å; A680-I684 WeakPolarHBondContact O-CD1 3.38Å; A680-I684 VanDerWaalsContact O-CG1 3.22Å; A680-I684 WeakPolarHBondContact O-CG1 3.47Å; A680-I684 PolarHBondContact O-N 3.14Å
681	F	73.8	Confident	65.2	Low	140 Å²	140	97.1 Å²	97.1	61%	0.614	53%	0.53	S	S	*	.	H	α-helix	trans	-64.1	-44.2	176.3	-165.2	-97.1	0	0	0	111.9	G677 L678 I679 V683 I684 V685	G677-F681 WeakPolarHBondContact O-CB 3.41Å; G677-F681 PolarHBondContact O-N 3.17Å; L678-F681 PolarHBondContact O-N 3.32Å; I679-F681 VanDerWaalsContact C-N 3.33Å; I679-F681 PolarHBondContact O-N 3.08Å; F681-V683 VanDerWaalsContact C-N 3.33Å; F681-V683 PolarHBondContact O-N 3.11Å; F681-I684 PolarHBondContact O-N 2.89Å; F681-V685 HydrophobicContact CD1-CG2 4.01Å; F681-V685 HydrophobicContact CE1-CG2 3.78Å; F681-V685 HydrophobicContact CZ-CG2 4.25Å; F681-V685 WeakPolarHBondContact O-CB 3.47Å; F681-V685 VanDerWaalsContact O-CG2 3.31Å; F681-V685 WeakPolarHBondContact O-CG2 3.09Å; F681-V685 PolarHBondContact O-N 3.45Å
682	V	74.9	Confident	65.2	Low	88 Å²	88	101.8 Å²	101.8	53%	0.533	54%	0.537	S	S	.	.	H	α-helix	trans	-62.2	-39.8	175.7	171.4	0	0	0	0	111.4	L678 I679 A686	L678-V682 HydrophobicContact CD2-CG2 4.47Å; L678-V682 VanDerWaalsContact O-CG2 3.24Å; L678-V682 WeakPolarHBondContact O-CG2 3.43Å; L678-V682 PolarHBondContact O-N 2.81Å; I679-V682 PolarHBondContact O-N 3.41Å; V682-A686 VanDerWaalsContact O-CB 3.24Å; V682-A686 WeakPolarHBondContact O-CB 3.45Å; V682-A686 PolarHBondContact O-N 2.78Å
683	V	74.4	Confident	65.2	Low	81 Å²	81	108.9 Å²	108.9	49%	0.491	55%	0.552	S	S	.	*	H	α-helix	trans	-67.4	-41.5	176.2	172.8	0	0	0	0	111.4	I679 A680 F681 A686 V687	I679-V683 HydrophobicContact CG2-CG2 4.49Å; I679-V683 VanDerWaalsContact O-CG2 3.28Å; I679-V683 WeakPolarHBondContact O-CG2 3.13Å; I679-V683 PolarHBondContact O-N 2.96Å; A680-V683 PolarHBondContact O-N 2.67Å; F681-V683 VanDerWaalsContact C-N 3.33Å; F681-V683 PolarHBondContact O-N 3.11Å; V683-A686 PolarHBondContact O-N 2.04Å; V683-V687 HydrophobicContact CG1-CG2 4.41Å; V683-V687 WeakPolarHBondContact O-CB 3.05Å; V683-V687 VanDerWaalsContact O-CG2 3.24Å; V683-V687 WeakPolarHBondContact O-CG2 3.23Å; V683-V687 PolarHBondContact O-N 3.44Å
684	I	74.1	Confident	64.8	Low	97 Å²	97	111 Å²	111	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-64.6	-45.3	177.3	-70.2	165.5	0	0	0	110.7	A680 F681 A686 V687 I688	A680-I684 WeakPolarHBondContact O-CB 3.48Å; A680-I684 WeakPolarHBondContact O-CD1 3.38Å; A680-I684 VanDerWaalsContact O-CG1 3.22Å; A680-I684 WeakPolarHBondContact O-CG1 3.47Å; A680-I684 PolarHBondContact O-N 3.14Å; F681-I684 PolarHBondContact O-N 2.89Å; I684-A686 PolarHBondContact O-N 2.72Å; I684-V687 PolarHBondContact O-N 3.47Å; I684-I688 HydrophobicContact CG2-CD1 3.75Å; I684-I688 HydrophobicContact CG2-CG1 4.43Å; I684-I688 VanDerWaalsContact O-CG1 3.3Å; I684-I688 WeakPolarHBondContact O-CG1 3.02Å; I684-I688 PolarHBondContact O-N 3.36Å
685	V	71.8	Confident	64.1	Low	61 Å²	61	119.2 Å²	119.2	37%	0.37	57%	0.574	S	S	.	*	H	α-helix	trans	-62.8	-42.2	176.1	172.7	0	0	0	0	110.9	F681 V687 I688 L689	F681-V685 HydrophobicContact CD1-CG2 4.01Å; F681-V685 HydrophobicContact CE1-CG2 3.78Å; F681-V685 HydrophobicContact CZ-CG2 4.25Å; F681-V685 WeakPolarHBondContact O-CB 3.47Å; F681-V685 VanDerWaalsContact O-CG2 3.31Å; F681-V685 WeakPolarHBondContact O-CG2 3.09Å; F681-V685 PolarHBondContact O-N 3.45Å; V685-V687 VanDerWaalsContact C-N 3.35Å; V685-V687 PolarHBondContact O-N 3.15Å; V685-I688 PolarHBondContact O-N 3.42Å; V685-L689 HydrophobicContact CG1-CD1 3.84Å; V685-L689 HydrophobicContact CG1-CG 4.38Å; V685-L689 WeakPolarHBondContact O-CB 3.49Å; V685-L689 VanDerWaalsContact O-CG 3.32Å; V685-L689 WeakPolarHBondContact O-CG 3.42Å; V685-L689 PolarHBondContact O-N 3.36Å
686	A	69.4	Low	63.3	Low	55 Å²	55	120 Å²	120	46%	0.455	58%	0.584	S	S	.	*	H	α-helix	trans	-63.1	-39.3	175.5	0	0	0	0	0	112.3	V682 V683 I684 R690	V682-A686 VanDerWaalsContact O-CB 3.24Å; V682-A686 WeakPolarHBondContact O-CB 3.45Å; V682-A686 PolarHBondContact O-N 2.78Å; V683-A686 PolarHBondContact O-N 2.04Å; I684-A686 PolarHBondContact O-N 2.72Å; A686-R690 WeakPolarHBondContact O-CB 3.36Å; A686-R690 PolarHBondContact O-N 2.78Å
687	V	68.9	Low	62.3	Low	84 Å²	84	122.4 Å²	122.4	51%	0.509	59%	0.593	S	S	.	*	H	α-helix	trans	-69.3	-41.3	176.5	171	0	0	0	0	111.2	V683 I684 V685 R690 R691	V683-V687 HydrophobicContact CG1-CG2 4.41Å; V683-V687 WeakPolarHBondContact O-CB 3.05Å; V683-V687 VanDerWaalsContact O-CG2 3.24Å; V683-V687 WeakPolarHBondContact O-CG2 3.23Å; V683-V687 PolarHBondContact O-N 3.44Å; I684-V687 PolarHBondContact O-N 3.47Å; V685-V687 VanDerWaalsContact C-N 3.35Å; V685-V687 PolarHBondContact O-N 3.15Å; V687-R690 PolarHBondContact O-N 3.48Å; V687-R691 WeakPolarHBondContact O-CB 3.38Å; V687-R691 PolarHBondContact O-N 3.05Å
688	I	68.3	Low	60.9	Low	95 Å²	95	130.6 Å²	130.6	49%	0.487	62%	0.618	S	S	.	*	H	α-helix	trans	-65.6	-43.1	177.2	-68.8	169.8	0	0	0	111.1	I684 V685 R690 R691 R692	I684-I688 HydrophobicContact CG2-CD1 3.75Å; I684-I688 HydrophobicContact CG2-CG1 4.43Å; I684-I688 VanDerWaalsContact O-CG1 3.3Å; I684-I688 WeakPolarHBondContact O-CG1 3.02Å; I684-I688 PolarHBondContact O-N 3.36Å; V685-I688 PolarHBondContact O-N 3.42Å; I688-R690 VanDerWaalsContact C-N 3.34Å; I688-R690 PolarHBondContact O-N 2.02Å; I688-R691 PolarHBondContact O-N 3.2Å; I688-R692 PolarHBondContact O-N 3.41Å
689	L	61.5	Low	59.2	Low	101 Å²	101	137 Å²	137	53%	0.529	63%	0.633	S	S	.	*	H	α-helix	trans	-64.7	-37.1	175.3	-72.7	170.9	0	0	0	112	V685 R693	V685-L689 HydrophobicContact CG1-CD1 3.84Å; V685-L689 HydrophobicContact CG1-CG 4.38Å; V685-L689 WeakPolarHBondContact O-CB 3.49Å; V685-L689 VanDerWaalsContact O-CG 3.32Å; V685-L689 WeakPolarHBondContact O-CG 3.42Å; V685-L689 PolarHBondContact O-N 3.36Å; L689-R693 PolarHBondContact O-N 2.62Å
690	R	59.3	Low	57.1	Low	176 Å²	176	138.4 Å²	138.4	66%	0.664	65%	0.651	S	S	*	*	H	α-helix	trans	-73.9	-28.8	176.3	-153.3	174.1	-168	171.5	3.1	112.5	A686 V687 I688 R694	A686-R690 WeakPolarHBondContact O-CB 3.36Å; A686-R690 PolarHBondContact O-N 2.78Å; V687-R690 PolarHBondContact O-N 3.48Å; I688-R690 VanDerWaalsContact C-N 3.34Å; I688-R690 PolarHBondContact O-N 2.02Å; R690-R694 PolarHBondContact O-N 2.74Å
691	R	56.1	Low	55.2	Low	191 Å²	191	139 Å²	139	72%	0.721	66%	0.662	S	S	*	*	H	α-helix	trans	-76.9	-36.4	174.6	-139.4	175.6	-173.3	178.8	0.8	112	V687 I688 R694 Y695	V687-R691 WeakPolarHBondContact O-CB 3.38Å; V687-R691 PolarHBondContact O-N 3.05Å; I688-R691 PolarHBondContact O-N 3.2Å; R691-R694 PolarHBondContact O-N 3.26Å; R691-Y695 PolarHBondContact O-N 2.95Å
692	R	55.5	Low	53.1	Low	200 Å²	200	143.7 Å²	143.7	76%	0.755	68%	0.678	S	S	*	*	H	α-helix	trans	-68.1	-35.7	170.9	-91.1	-175	172.3	175.7	-1.7	113	I688 R694	I688-R692 PolarHBondContact O-N 3.41Å; R692-R694 VanDerWaalsContact C-N 3.34Å; R692-R694 PolarHBondContact O-N 2.92Å
693	R	52.9	Low	50.8	Low	207 Å²	207	146.7 Å²	146.7	78%	0.781	69%	0.686	S	S	*	*	H	α-helix	trans	-73.6	-17.3	174.3	-79.2	-177.2	178.4	168	0.5	114.8	L689	L689-R693 PolarHBondContact O-N 2.62Å
694	R	47.5	Very low	48.7	Very low	200 Å²	200	151.1 Å²	151.1	76%	0.755	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-6.3	176	-85.1	-171.6	-177.4	174.2	0.8	115.1	R690 R691 R692	R690-R694 PolarHBondContact O-N 2.74Å; R691-R694 PolarHBondContact O-N 3.26Å; R692-R694 VanDerWaalsContact C-N 3.34Å; R692-R694 PolarHBondContact O-N 2.92Å
695	Y	43.9	Very low	46.7	Very low	215 Å²	215	152.4 Å²	152.4	84%	0.843	71%	0.705	S	S	*	*	S	Bend	trans	-102.9	1.5	178.2	-116.2	-92.8	0	0	0	114	R691	R691-Y695 PolarHBondContact O-N 2.95Å
696	S	45.3	Very low	44.7	Very low	101 Å²	101	155 Å²	155	71%	0.706	72%	0.721	S	S	*	*	S	Bend	trans	-125	46	-176.2	-179.4	0	0	0	0	112.1
697	Q	39.1	Very low	42.7	Very low	174 Å²	174	159.4 Å²	159.4	81%	0.813	74%	0.737	S	S	*	*			trans	-153.5	54.5	172.6	-113.2	173.9	8.4	0	0	110.8
698	F	35.5	Very low	40.8	Very low	212 Å²	212	163.9 Å²	163.9	93%	0.93	75%	0.752	S	S	*	*			trans	-153	70	162.7	-116.4	-80.3	0	0	0	110.1
699	R	31.6	Very low	39.6	Very low	259 Å²	259	164 Å²	164	98%	0.977	76%	0.76	S	S	*	*			trans	-168.2	137.5	140.7	-108.7	176.2	-177.4	-174.7	0.5	110.7
700	S	28.3	Very low	38.2	Very low	121 Å²	121	167.7 Å²	167.7	85%	0.846	77%	0.774	S	S	*	*			trans	-78.9	143.7	-167.5	-175.7	0	0	0	0	113.5
701	G	26.9	Very low	36.7	Very low	61 Å²	61	170.8 Å²	170.8	63%	0.629	79%	0.786	S	S	*	*			trans	58.3	122.6	131	0	0	0	0	0	121.3
702	Y	29.3	Very low	35.4	Very low	239 Å²	239	170.2 Å²	170.2	94%	0.937	79%	0.791	S	S	*	*				-174.9	176.4	104	-110.2	-86.3	0	0	0	110.2
703	Q	28.2	Very low	34.1	Very low	151 Å²	151	167.1 Å²	167.1	71%	0.706	79%	0.794	S	S	*	*			trans	-120.8	155.6	-144.3	171.8	176.3	2.4	0	0	112
704	K	28.5	Very low	33.1	Very low	174 Å²	174	162.4 Å²	162.4	76%	0.757	79%	0.789	S	S	*	*			trans	67.3	154.4	160	-88.4	-168.6	169.3	-177.3	0	118.5
705	I	34	Very low	32.3	Very low	124 Å²	124	159.4 Å²	159.4	64%	0.636	78%	0.783	S	S	*	*			cis	-174.9	143.6	-18.5	-111.4	177	0	0	0	105.7
706	T	29.8	Very low	31.7	Very low	116 Å²	116	155.8 Å²	155.8	71%	0.712	77%	0.774	S	S	*	*			trans	51.1	149.2	158.7	57.1	0	0	0	0	120.9
707	D	26.7	Very low	31	Very low	146 Å²	146	159.2 Å²	159.2	78%	0.781	78%	0.779	S	S	*	*				-153.5	159.6	50.4	-88.1	-46	0	0	0	113.7
708	E	29.6	Very low	30.6	Very low	178 Å²	178	154.3 Å²	154.3	83%	0.832	77%	0.768	S	S	*	*			trans	-27.8	-178.3	164.4	-99.3	179.5	169.2	0	0	120.6
709	P	43	Very low	30.3	Very low	99 Å²	99	149.7 Å²	149.7	64%	0.643	76%	0.758	S	S	*	*			cis	-138.5	175.4	-12.7	26.7	-2.4	0	0	0	116.1
710	E	31	Very low	30.2	Very low	177 Å²	177	144.5 Å²	144.5	83%	0.827	74%	0.744	S	S	*	*			trans	22.1	132.6	147.6	-65.4	-179.2	157.7	0	0	123
711	R	27.1	Very low	30.4	Very low	242 Å²	242	145.6 Å²	145.6	91%	0.913	74%	0.736	S	S	*	*				-175.1	142.3	101.7	-102.1	-179.1	-164.3	178.1	5.6	113.9
712	E	30	Very low	30.6	Very low	179 Å²	179	150.2 Å²	150.2	84%	0.836	74%	0.741	S	S	*	*			trans	-66.6	155.7	172.4	-60.5	172	142.4	0	0	113.4
713	T	28.2	Very low	30.7	Very low	134 Å²	134	143.9 Å²	143.9	82%	0.822	73%	0.727	S	S	*	*				-168.7	122.1	113.5	33.2	0	0	0	0	111
714	T	30.8	Very low	30.8	Very low	109 Å²	109	141.8 Å²	141.8	67%	0.669	73%	0.725	S	S	*	*			trans	-18.9	160.1	142.5	45.6	0	0	0	0	117.9
715	H	30.7	Very low	31	Very low	137 Å²	137	141.8 Å²	141.8	63%	0.634	73%	0.727	S	S	*	*				-171.8	136	53.6	-108	-71.5	0	0	0	108.3
716	E	32	Very low	30.8	Very low	139 Å²	139	143.8 Å²	143.8	65%	0.65	73%	0.734	S	S	*	*				78.3	120.5	92.6	-85.4	-174.1	-178.2	0	0	116.3
717	E	30.4	Very low	31	Very low	172 Å²	172	146.3 Å²	146.3	80%	0.804	74%	0.738	S	S	*	*				87.6	153.1	102.9	-82.3	-170	156.8	0	0	113.3
718	A	31	Very low	31.3	Very low	72 Å²	72	146.3 Å²	146.3	60%	0.595	74%	0.743	S	S	*	*			cis	-170.5	161.6	-18.8	0	0	0	0	0	108.1
719	T	29.4	Very low	31.7	Very low	115 Å²	115	143.3 Å²	143.3	71%	0.706	74%	0.737	S	S	*	*			trans	70.4	147.3	141.7	18	0	0	0	0	126.7
720	H	30.1	Very low	31.4	Very low	150 Å²	150	145.5 Å²	145.5	69%	0.694	74%	0.739	S	S	*	*			trans	74.1	143.5	150.5	-76.2	-68.6	0	0	0	118
721	E	31.6	Very low	31.8	Very low	143 Å²	143	144 Å²	144	67%	0.668	73%	0.732	S	S	*	*			cis	-170.1	164.5	2	-138.5	157.8	-151.7	0	0	108.7
722	E	31.1	Very low	32.6	Very low	159 Å²	159	140.3 Å²	140.3	74%	0.743	73%	0.725	S	S	*	*			trans	26.4	152	142.6	-78.7	-175.2	162.5	0	0	122.2
723	T	31.4	Very low	33.4	Very low	105 Å²	105	140 Å²	140	64%	0.644	75%	0.752	S	S	*	*			cis	-174.8	155.5	24	6	0	0	0	0	111.2
724	T	30.6	Very low	33.7	Very low	108 Å²	108	140.3 Å²	140.3	66%	0.663	75%	0.749	S	S	*	*			trans	60.9	141.2	139.9	52.1	0	0	0	0	129.1
725	H	31.7	Very low	33.8	Very low	173 Å²	173	141.9 Å²	141.9	80%	0.801	75%	0.753	S	S	*	*			trans	67.1	146.4	145.1	-71.3	-59.9	0	0	0	118.9
726	E	31	Very low	34	Very low	166 Å²	166	142.2 Å²	142.2	78%	0.776	76%	0.76	S	S	*	*			cis	-169.6	129.6	37.4	-140.5	167.3	-173.7	0	0	107.1
727	E	32.7	Very low	34.1	Very low	169 Å²	169	142.4 Å²	142.4	79%	0.79	77%	0.766	S	S	*	*				56	122.5	100.2	-142.1	173	-140.1	0	0	117.8
728	T	33.2	Very low	34.3	Very low	147 Å²	147	140.5 Å²	140.5	90%	0.902	76%	0.764	S	S	*	*			trans	-175.6	131.8	130.7	17	0	0	0	0	113.4
729	T	38	Very low	34.6	Very low	114 Å²	114	145.1 Å²	145.1	70%	0.699	78%	0.775	S	S	*	*			trans	-93.1	178.4	167.7	35.5	0	0	0	0	111.9
730	H	37.2	Very low	34.9	Very low	146 Å²	146	147.2 Å²	147.2	68%	0.676	78%	0.78	S	S	*	*			trans	113.9	109.8	160.3	-79.2	-76.5	0	0	0	115.8
731	E	40.2	Very low	35.3	Very low	145 Å²	145	147 Å²	147	68%	0.678	79%	0.786	S	S	*	*				101.3	152.5	88.1	-114.2	169.5	-174.9	0	0	108.8
732	E	43.8	Very low	35.6	Very low	165 Å²	165	147.3 Å²	147.3	77%	0.771	80%	0.796	S	S	*	*			cis	-169.4	144.8	7.5	-142.1	164.3	-164.3	0	0	103.2
733	A	46.5	Very low	36	Very low	171 Å²	171	146.3 Å²	146.3	100%	1.413	80%	0.801	S	S	*	*				174.1	0	80.2	0	0	0	0	0	109.2

Retrieved 733 of 733 residues in 268.6 ms (Link to these results)

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