A0A087XXH9_POEFO Loading...

Neuroendocrine convertase 1

Involved in the processing of hormone and other protein precursors at sites comprised of pairs of basic amino acid residues. Substrates include POMC, renin, enkephalin, dynorphin, somatostatin, insulin and AGRP.

AlphaFold DB , UniProt , Accession A0A087XXH9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 766 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	33.3	Very low	41.6	Very low	232 Å²	232	140.1 Å²	140.1	100%	1.143	72%	0.72	S	S	*	*				0	132.8	0	-69.7	166.7	166.1	0	0	106.6
2	E	32.9	Very low	42.2	Very low	165 Å²	165	135.1 Å²	135.1	77%	0.771	71%	0.705	S	S	*	*			cis	-172	128.1	-0.7	-111.8	175.1	160.4	0	0	101.9
3	V	34.3	Very low	43.2	Very low	119 Å²	119	131.3 Å²	131.3	72%	0.721	69%	0.691	S	S	*	*				62.3	95.3	99.2	176.8	0	0	0	0	110.1
4	R	37.5	Very low	43.9	Very low	224 Å²	224	128.9 Å²	128.9	85%	0.845	68%	0.678	S	S	*	*				77.5	138.7	86.9	-82.9	179	172.7	179.5	-2.2	114.1
5	C	38.4	Very low	44.5	Very low	98 Å²	98	124.2 Å²	124.2	66%	0.662	67%	0.665	S	S	*	*			trans	70.8	110.6	147.5	-72.7	0	0	0	0	117.9
6	R	41.1	Very low	45.1	Very low	226 Å²	226	122.4 Å²	122.4	85%	0.853	66%	0.659	S	S	*	*				-138.4	83.5	126.8	-73.5	-160.9	173.1	179.4	-2.2	112.5	A8	R6-A8 HydrophobicContact CB-CB 4.32Å; R6-A8 PolarHBondContact O-N 3.49Å
7	P	48.9	Very low	45.4	Very low	93 Å²	93	121 Å²	121	60%	0.604	65%	0.651	S	S	*	*			trans	-78.8	41.4	151.2	37.3	-32.6	0	0	0	110.2
8	A	46.3	Very low	45.4	Very low	45 Å²	45	118.6 Å²	118.6	37%	0.372	64%	0.644	S	S	.	*			trans	-101.6	-34.6	-171.8	0	0	0	0	0	112.5	R6 C12	R6-A8 HydrophobicContact CB-CB 4.32Å; R6-A8 PolarHBondContact O-N 3.49Å; A8-C12 WeakPolarHBondContact O-CB 3.46Å; A8-C12 PolarHBondContact O-N 3.43Å; A8-C12 PolarHBondContact O-SG 3.27Å
9	V	49.1	Very low	45.4	Very low	106 Å²	106	115.3 Å²	115.3	64%	0.642	63%	0.631	S	S	*	*	H	α-helix	trans	-79.4	-37.1	-173.4	-174.4	0	0	0	0	111.6	C12 V13	V9-C12 PolarHBondContact O-N 3.46Å; V9-V13 WeakPolarHBondContact O-CG2 3.39Å; V9-V13 PolarHBondContact O-N 3.21Å
10	M	46.3	Very low	45.5	Very low	149 Å²	149	112.2 Å²	112.2	73%	0.734	62%	0.621	S	S	*	*	H	α-helix	trans	-75	-33.6	177.7	-160.6	169.4	161.7	0	0	112.4	L14	M10-L14 HydrophobicContact CG-CD1 4.39Å; M10-L14 WeakPolarHBondContact O-CB 3.47Å; M10-L14 PolarHBondContact O-N 3.24Å; M10-L14 VanDerWaalsContact O-N 3.1Å
11	C	49.1	Very low	45.3	Very low	84 Å²	84	112 Å²	112	57%	0.568	62%	0.619	S	S	*	*	H	α-helix	trans	-69.9	-33.8	171.4	-81.6	0	0	0	0	112.9	A15	C11-A15 WeakPolarHBondContact O-CB 3.23Å; C11-A15 PolarHBondContact O-N 3.21Å
12	C	49.8	Very low	45.6	Very low	80 Å²	80	104.3 Å²	104.3	54%	0.541	59%	0.587	S	S	.	*	H	α-helix	trans	-68.9	-37.4	175.1	-76.1	0	0	0	0	112.3	A8 V9 V16	A8-C12 WeakPolarHBondContact O-CB 3.46Å; A8-C12 PolarHBondContact O-N 3.43Å; A8-C12 PolarHBondContact O-SG 3.27Å; V9-C12 PolarHBondContact O-N 3.46Å; C12-V16 WeakPolarHBondContact O-CB 3.18Å; C12-V16 WeakPolarHBondContact O-CG2 3.5Å; C12-V16 PolarHBondContact O-N 3.23Å
13	V	55.3	Low	45.8	Very low	86 Å²	86	105.4 Å²	105.4	52%	0.521	58%	0.584	S	S	.	*	H	α-helix	trans	-72.5	-39.7	178	176.3	0	0	0	0	111.4	V9 V16 L17	V9-V13 WeakPolarHBondContact O-CG2 3.39Å; V9-V13 PolarHBondContact O-N 3.21Å; V13-V16 PolarHBondContact O-N 3.19Å; V13-L17 HydrophobicContact CG1-CD1 3.97Å; V13-L17 WeakPolarHBondContact O-CB 3.33Å; V13-L17 PolarHBondContact O-N 2.83Å
14	L	52.8	Low	46	Very low	98 Å²	98	103 Å²	103	51%	0.513	57%	0.573	S	S	.	*	H	α-helix	trans	-69.5	-34.7	172.8	-91.6	148.3	0	0	0	113	M10 L17 C18	M10-L14 HydrophobicContact CG-CD1 4.39Å; M10-L14 WeakPolarHBondContact O-CB 3.47Å; M10-L14 PolarHBondContact O-N 3.24Å; M10-L14 VanDerWaalsContact O-N 3.1Å; L14-L17 PolarHBondContact O-N 3.18Å; L14-C18 VanDerWaalsContact O-CB 3.26Å; L14-C18 WeakPolarHBondContact O-CB 3.36Å; L14-C18 PolarHBondContact O-N 2.65Å; L14-C18 PolarHBondContact O-SG 2.61Å
15	A	52.1	Low	46	Very low	58 Å²	58	99.8 Å²	99.8	48%	0.479	57%	0.568	S	S	.	*	H	α-helix	trans	-71.1	-34.3	174.4	0	0	0	0	0	112.6	C11 S19	C11-A15 WeakPolarHBondContact O-CB 3.23Å; C11-A15 PolarHBondContact O-N 3.21Å; A15-S19 WeakPolarHBondContact O-CB 3.04Å; A15-S19 PolarHBondContact O-N 3.01Å; A15-S19 PolarHBondContact O-OG 3.26Å
16	V	54.3	Low	46	Very low	96 Å²	96	98.2 Å²	98.2	58%	0.582	56%	0.561	S	S	*	*	H	α-helix	trans	-72.2	-36.7	173.9	172.2	0	0	0	0	111.2	C12 V13 S19 A20	C12-V16 WeakPolarHBondContact O-CB 3.18Å; C12-V16 WeakPolarHBondContact O-CG2 3.5Å; C12-V16 PolarHBondContact O-N 3.23Å; V13-V16 PolarHBondContact O-N 3.19Å; V16-S19 WeakPolarHBondContact CA-OG 3.34Å; V16-S19 PolarHBondContact O-OG 2.95Å; V16-A20 WeakPolarHBondContact O-CB 3.09Å; V16-A20 PolarHBondContact O-N 2.75Å
17	L	50	Low	45.8	Very low	98 Å²	98	93.8 Å²	93.8	51%	0.513	55%	0.554	S	S	.	*	H	α-helix	trans	-71.7	-40.2	173.5	-84.4	155.7	0	0	0	112.7	V13 L14 A20 L21	V13-L17 HydrophobicContact CG1-CD1 3.97Å; V13-L17 WeakPolarHBondContact O-CB 3.33Å; V13-L17 PolarHBondContact O-N 2.83Å; L14-L17 PolarHBondContact O-N 3.18Å; L17-A20 PolarHBondContact O-N 2.94Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 WeakPolarHBondContact O-CD1 3.43Å; L17-L21 WeakPolarHBondContact O-CG 3.17Å; L17-L21 PolarHBondContact O-N 2.04Å
18	C	45.9	Very low	45.6	Very low	77 Å²	77	93 Å²	93	52%	0.52	55%	0.551	S	S	.	*	H	α-helix	trans	-69.6	-34.9	174.7	-78.3	0	0	0	0	112.6	L14 S22	L14-C18 VanDerWaalsContact O-CB 3.26Å; L14-C18 WeakPolarHBondContact O-CB 3.36Å; L14-C18 PolarHBondContact O-N 2.65Å; L14-C18 PolarHBondContact O-SG 2.61Å; C18-S22 WeakPolarHBondContact O-CB 3.45Å; C18-S22 PolarHBondContact O-N 3.46Å; C18-S22 PolarHBondContact O-OG 3.21Å
19	S	45.7	Very low	45.6	Very low	57 Å²	57	97.8 Å²	97.8	40%	0.399	56%	0.56	S	S	.	*	H	α-helix	trans	-75.7	-28.1	173.4	58.6	0	0	0	0	113.2	A15 V16 S22 R23	A15-S19 WeakPolarHBondContact O-CB 3.04Å; A15-S19 PolarHBondContact O-N 3.01Å; A15-S19 PolarHBondContact O-OG 3.26Å; V16-S19 WeakPolarHBondContact CA-OG 3.34Å; V16-S19 PolarHBondContact O-OG 2.95Å; S19-S22 WeakPolarHBondContact CA-OG 3.35Å; S19-R23 WeakPolarHBondContact O-CB 3.33Å; S19-R23 WeakPolarHBondContact O-CG 3.47Å; S19-R23 PolarHBondContact O-N 3.37Å
20	A	46.3	Very low	45.5	Very low	52 Å²	52	96.5 Å²	96.5	43%	0.43	56%	0.56	S	S	.	*	H	α-helix	trans	-73.2	-38.5	170.3	0	0	0	0	0	112.1	V16 L17 R23 S24	V16-A20 WeakPolarHBondContact O-CB 3.09Å; V16-A20 PolarHBondContact O-N 2.75Å; L17-A20 PolarHBondContact O-N 2.94Å; A20-R23 PolarHBondContact O-N 2.99Å; A20-S24 VanDerWaalsContact O-CB 3.27Å; A20-S24 WeakPolarHBondContact O-CB 3.37Å; A20-S24 PolarHBondContact O-N 2.92Å; A20-S24 PolarHBondContact O-OG 3.38Å
21	L	42.3	Very low	46.2	Very low	110 Å²	110	93.8 Å²	93.8	58%	0.576	55%	0.549	S	S	*	.	H	α-helix	trans	-68.8	-41.8	175	-78.7	159.3	0	0	0	111.7	L17 S24 Q25	L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 WeakPolarHBondContact O-CD1 3.43Å; L17-L21 WeakPolarHBondContact O-CG 3.17Å; L17-L21 PolarHBondContact O-N 2.04Å; L21-S24 WeakPolarHBondContact CA-OG 2.98Å; L21-S24 PolarHBondContact O-N 3.07Å; L21-S24 PolarHBondContact O-OG 3.36Å; L21-Q25 PolarHBondContact O-N 3.25Å; L21-Q25 VanDerWaalsContact O-N 3.16Å
22	S	39.1	Very low	47.2	Very low	70 Å²	70	91.9 Å²	91.9	49%	0.49	53%	0.53	S	S	.	.	H	α-helix	trans	-72.6	-29.2	173.6	45.4	0	0	0	0	113.6	C18 S19 A26	C18-S22 WeakPolarHBondContact O-CB 3.45Å; C18-S22 PolarHBondContact O-N 3.46Å; C18-S22 PolarHBondContact O-OG 3.21Å; S19-S22 WeakPolarHBondContact CA-OG 3.35Å; S22-A26 VanDerWaalsContact O-CB 3.25Å; S22-A26 WeakPolarHBondContact O-CB 3.24Å; S22-A26 PolarHBondContact O-N 3.39Å
23	R	38.1	Very low	48.8	Very low	188 Å²	188	90.1 Å²	90.1	71%	0.709	51%	0.514	S	S	*	.	H	α-helix	trans	-71.4	-34	167.9	-86.3	-178.5	170.1	-177.8	-2.3	113.4	S19 A20 A26 L27	S19-R23 WeakPolarHBondContact O-CB 3.33Å; S19-R23 WeakPolarHBondContact O-CG 3.47Å; S19-R23 PolarHBondContact O-N 3.37Å; A20-R23 PolarHBondContact O-N 2.99Å; R23-A26 PolarHBondContact O-N 2.77Å; R23-L27 WeakPolarHBondContact O-CB 3.14Å; R23-L27 WeakPolarHBondContact O-CD1 3.37Å; R23-L27 WeakPolarHBondContact O-CG 3.3Å; R23-L27 PolarHBondContact O-N 3.07Å
24	S	38.3	Very low	50.2	Low	69 Å²	69	87.1 Å²	87.1	48%	0.483	49%	0.493	S	S	.	.	H	α-helix	trans	-70.6	-32.2	178.6	69.5	0	0	0	0	112.8	A20 L21	A20-S24 VanDerWaalsContact O-CB 3.27Å; A20-S24 WeakPolarHBondContact O-CB 3.37Å; A20-S24 PolarHBondContact O-N 2.92Å; A20-S24 PolarHBondContact O-OG 3.38Å; L21-S24 WeakPolarHBondContact CA-OG 2.98Å; L21-S24 PolarHBondContact O-N 3.07Å; L21-S24 PolarHBondContact O-OG 3.36Å
25	Q	37.3	Very low	51.9	Low	156 Å²	156	84.4 Å²	84.4	73%	0.729	48%	0.479	S	S	*	.	H	α-helix	trans	-76.1	-36.4	168.7	-77.3	-179.1	-13.4	0	0	112.4	L21 L27 S28	L21-Q25 PolarHBondContact O-N 3.25Å; L21-Q25 VanDerWaalsContact O-N 3.16Å; Q25-L27 PolarHBondContact O-N 3.18Å; Q25-S28 PolarHBondContact O-N 3.27Å
26	A	37.1	Very low	53.8	Low	64 Å²	64	82.3 Å²	82.3	53%	0.529	46%	0.46	S	S	.	.	H	α-helix	trans	-69.8	-27.4	177.3	0	0	0	0	0	114	S22 R23 S28	S22-A26 VanDerWaalsContact O-CB 3.25Å; S22-A26 WeakPolarHBondContact O-CB 3.24Å; S22-A26 PolarHBondContact O-N 3.39Å; R23-A26 PolarHBondContact O-N 2.77Å; A26-S28 VanDerWaalsContact C-N 3.33Å
27	L	38.8	Very low	55.5	Low	134 Å²	134	80.3 Å²	80.3	70%	0.702	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-16.9	176.5	-85.8	154.5	0	0	0	113.8	R23 Q25	R23-L27 WeakPolarHBondContact O-CB 3.14Å; R23-L27 WeakPolarHBondContact O-CD1 3.37Å; R23-L27 WeakPolarHBondContact O-CG 3.3Å; R23-L27 PolarHBondContact O-N 3.07Å; Q25-L27 PolarHBondContact O-N 3.18Å
28	S	44.1	Very low	57.6	Low	77 Å²	77	75.6 Å²	75.6	54%	0.538	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-24	178.2	170.6	0	0	0	0	113.6	Q25 A26	Q25-S28 PolarHBondContact O-N 3.27Å; A26-S28 VanDerWaalsContact C-N 3.33Å
29	Y	45.3	Very low	59.8	Low	145 Å²	145	72.2 Å²	72.2	57%	0.569	40%	0.397	S	S	*	.	S	Bend	trans	-94.9	-9.1	178.9	-98.9	-94.5	0	0	0	114	D31 R32	Y29-D31 PolarHBondContact O-N 2.79Å; Y29-R32 VanDerWaalsContact CZ-NH1 3.34Å; Y29-R32 PolarHBondContact OH-NH1 2.87Å
30	A	48.3	Very low	62.1	Low	78 Å²	78	69.5 Å²	69.5	65%	0.645	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.7	-167.3	0	0	0	0	0	115.8
31	D	59.4	Low	64.3	Low	92 Å²	92	70.2 Å²	70.2	49%	0.492	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	28.8	-178.7	-154.3	30	0	0	0	113.9	Y29 R109	Y29-D31 PolarHBondContact O-N 2.79Å; D31-R109 IonicContact OD2-CZ 3.71Å; D31-R109 IonicContact OD2-NH1 2.72Å; D31-R109 PolarHBondContact OD2-NH1 3.17Å
32	R	71.1	Confident	66.7	Low	44 Å²	44	65 Å²	65	17%	0.166	35%	0.345	C	S	.	.			trans	-82.6	120.1	173.1	-65.4	-174.8	-174.2	-174.2	3.7	110.1	Y29 Y34 Y106	Y29-R32 VanDerWaalsContact CZ-NH1 3.34Å; Y29-R32 PolarHBondContact OH-NH1 2.87Å; R32-Y34 HydrophobicContact CB-CD2 4.35Å; R32-Y34 HydrophobicContact CB-CE2 3.79Å; R32-Y106 HydrophobicContact CB-CD2 4.17Å; R32-Y106 HydrophobicContact CB-CG 4.38Å; R32-Y106 HydrophobicContact CG-CD2 3.96Å; R32-Y106 HydrophobicContact CG-CE2 4.2Å
33	Q	83.1	Confident	69.1	Low	44 Å²	44	64.9 Å²	64.9	21%	0.206	34%	0.342	C	S	.	.			trans	-88.8	102.7	167.4	-65.3	-167	12.5	0	0	109.2	M82 Y106 E107	Q33-M82 CarbonylContact C-O 3.52Å; Q33-M82 WeakPolarHBondContact CA-O 3.34Å; Q33-Y106 CarbonylContact O-C 3.49Å; Q33-Y106 VanDerWaalsContact O-CA 3.23Å; Q33-Y106 WeakPolarHBondContact O-CA 3.3Å; Q33-Y106 WeakPolarHBondContact O-CB 3.49Å; Q33-E107 HydrophobicContact CB-CB 4.03Å; Q33-E107 PolarHBondContact O-N 3.45Å; Q33-E107 PolarHBondContact OE1-OE2 3.23Å
34	Y	85.9	Confident	71.2	Confident	22 Å²	22	57.6 Å²	57.6	9%	0.086	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	139.5	175.2	-65.7	-87.7	0	0	0	110.8	R32 R81 M82 Q104 Y106	R32-Y34 HydrophobicContact CB-CD2 4.35Å; R32-Y34 HydrophobicContact CB-CE2 3.79Å; Y34-R81 CarbonylContact O-C 3.58Å; Y34-R81 WeakPolarHBondContact O-CA 3.38Å; Y34-M82 PolarHBondContact N-O 2.95Å; Y34-M82 PolarHBondContact O-N 2.87Å; Y34-Q104 HydrophobicContact CD1-CB 4.48Å; Y34-Q104 HydrophobicContact CD1-CG 4.27Å; Y34-Y106 HydrophobicContact CD1-CD1 4.43Å; Y34-Y106 HydrophobicContact CE1-CD1 4.09Å; Y34-Y106 HydrophobicContact CE1-CG 4.38Å
35	L	87.4	Confident	73.4	Confident	41 Å²	41	55.1 Å²	55.1	22%	0.215	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	169	-179.9	-57.1	177.6	0	0	0	110.1	E37 R80 R81 Q104 Q105	L35-E37 PolarHBondContact O-N 2.96Å; L35-R80 WeakPolarHBondContact CD2-O 3.45Å; L35-R81 HydrophobicContact CD2-CG 4.2Å; L35-Q104 PolarHBondContact O-NE2 3.33Å; L35-Q105 PolarHBondContact N-O 2.85Å
36	N	91.6	Very high	75.7	Confident	15 Å²	15	52.1 Å²	52.1	8%	0.08	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	32.1	171.4	68.8	-33.6	0	0	0	113	W38 K74 H75 H78	N36-W38 HydrophobicContact CB-CZ3 4.42Å; N36-W38 WeakPolarHBondContact O-CZ3 3.39Å; N36-K74 WeakPolarHBondContact ND2-CE 3.3Å; N36-K74 WeakPolarHBondContact O-CA 3.46Å; N36-K74 WeakPolarHBondContact O-CG 3.39Å; N36-H75 PolarHBondContact O-N 2.65Å; N36-H75 VanDerWaalsContact O-N 3.14Å; N36-H78 HydrophobicContact CB-CB 3.96Å; N36-H78 WeakPolarHBondContact CB-O 3.48Å; N36-H78 PolarHBondContact ND2-O 3.46Å
37	E	90.7	Very high	78.1	Confident	53 Å²	53	53.7 Å²	53.7	25%	0.248	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.7	-179.3	-63.4	-179.1	171.4	0	0	110.1	L35 L72 F73 K74 Q105	L35-E37 PolarHBondContact O-N 2.96Å; E37-L72 HydrophobicContact CB-CD1 4.13Å; E37-F73 CarbonylContact C-O 3.52Å; E37-F73 WeakPolarHBondContact CA-O 3.04Å; E37-K74 HydrophobicContact CG-CB 4.46Å; E37-K74 HydrophobicContact CG-CG 4.39Å; E37-Q105 HydrophobicContact CB-CB 4.32Å; E37-Q105 HydrophobicContact CB-CG 4.35Å; E37-Q105 WeakPolarHBondContact O-CB 3.46Å; E37-Q105 PolarHBondContact O-N 2.81Å
38	W	94.6	Very high	80.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.2	-179.6	-75.8	-102.3	0	0	0	109.8	N36 V40 Y58 L72 F73 H75 H78 A86 I89 T90 L93 E103 Q104	N36-W38 HydrophobicContact CB-CZ3 4.42Å; N36-W38 WeakPolarHBondContact O-CZ3 3.39Å; W38-V40 HydrophobicContact CB-CG2 4.14Å; W38-Y58 AromaticContact CD2-CE1 3.87Å; W38-Y58 HydrophobicContact CD2-CE1 3.87Å; W38-Y58 HydrophobicContact CE3-CD1 4.24Å; W38-Y58 AromaticContact CE3-CE1 3.71Å; W38-Y58 HydrophobicContact CE3-CE1 3.71Å; W38-Y58 HydrophobicContact CG-CE1 4.29Å; W38-Y58 HydrophobicContact CZ3-CE1 4.18Å; W38-L72 CarbonylContact O-C 3.58Å; W38-L72 WeakPolarHBondContact O-CA 3.37Å; W38-F73 HydrophobicContact CB-CB 4.4Å; W38-F73 PolarHBondContact N-O 2.87Å; W38-F73 PolarHBondContact O-N 2.96Å; W38-H75 HydrophobicContact CE3-CB 4.15Å; W38-H75 HydrophobicContact CH2-CB 3.9Å; W38-H75 HydrophobicContact CZ3-CB 3.38Å; W38-H78 HydrophobicContact CH2-CB 3.92Å; W38-H78 AromaticContact CH2-CG 3.87Å; W38-H78 HydrophobicContact CZ3-CB 4.47Å; W38-A86 HydrophobicContact CZ2-CB 4.11Å; W38-I89 HydrophobicContact CH2-CB 4.42Å; W38-I89 HydrophobicContact CH2-CD1 4.42Å; W38-I89 HydrophobicContact CH2-CG2 3.6Å; W38-I89 HydrophobicContact CZ2-CB 3.87Å; W38-I89 HydrophobicContact CZ2-CG2 3.3Å; W38-I89 HydrophobicContact CZ3-CG2 4.31Å; W38-T90 PolarHBondContact NE1-OG1 2.85Å; W38-L93 HydrophobicContact CB-CD1 3.97Å; W38-L93 HydrophobicContact CG-CD1 3.97Å; W38-E103 CarbonylContact C-O 3.54Å; W38-E103 WeakPolarHBondContact CA-O 3.49Å; W38-Q104 HydrophobicContact CD2-CG 4.3Å; W38-Q104 HydrophobicContact CG-CB 4.49Å; W38-Q104 HydrophobicContact CZ2-CB 4.42Å; W38-Q104 HydrophobicContact CZ2-CG 3.83Å
39	A	92.3	Very high	82.7	Confident	5 Å²	5	47 Å²	47	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	131.9	166.2	0	0	0	0	0	107.9	I64 F71 W101 A102 E103 Q105	A39-I64 HydrophobicContact CB-CD1 3.54Å; A39-F71 CarbonylContact C-O 3.57Å; A39-F71 WeakPolarHBondContact CA-O 3.15Å; A39-W101 HydrophobicContact CB-CH2 3.99Å; A39-W101 HydrophobicContact CB-CZ3 3.67Å; A39-A102 CarbonylContact O-C 3.58Å; A39-A102 WeakPolarHBondContact O-CA 3.47Å; A39-E103 PolarHBondContact N-O 3.4Å; A39-E103 PolarHBondContact O-N 2.78Å; A39-Q105 HydrophobicContact CB-CG 4.48Å
40	V	93.4	Very high	84.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.8	-172.6	-163.6	0	0	0	0	109.3	W38 I42 L70 F71 F73 L93 V99 W101 A102	W38-V40 HydrophobicContact CB-CG2 4.14Å; V40-I42 HydrophobicContact CB-CD1 4.32Å; V40-I42 HydrophobicContact CB-CG1 4.41Å; V40-I42 HydrophobicContact CG1-CD1 3.83Å; V40-I42 HydrophobicContact CG1-CG1 3.73Å; V40-L70 CarbonylContact O-C 3.47Å; V40-L70 WeakPolarHBondContact O-CA 3.28Å; V40-F71 PolarHBondContact N-O 3.26Å; V40-F71 PolarHBondContact O-N 3.07Å; V40-F73 HydrophobicContact CG2-CB 4.23Å; V40-F73 HydrophobicContact CG2-CD1 4.36Å; V40-F73 HydrophobicContact CG2-CD2 4.04Å; V40-F73 HydrophobicContact CG2-CE2 4.48Å; V40-F73 HydrophobicContact CG2-CG 3.98Å; V40-L93 HydrophobicContact CG2-CD1 3.94Å; V40-V99 HydrophobicContact CG1-CB 4.32Å; V40-V99 HydrophobicContact CG1-CG1 3.41Å; V40-V99 VanDerWaalsContact CG1-CG1 3.41Å; V40-V99 HydrophobicContact CG1-CG2 3.99Å; V40-W101 CarbonylContact C-O 3.59Å; V40-W101 VanDerWaalsContact CA-O 3.29Å; V40-W101 WeakPolarHBondContact CA-O 3.22Å; V40-A102 HydrophobicContact CG1-CB 4.28Å; V40-A102 HydrophobicContact CG2-CB 4.45Å
41	E	93.1	Very high	86.9	Confident	68 Å²	68	43.3 Å²	43.3	32%	0.318	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.5	174.7	-171.2	177	177.9	0	0	110	N69 L70 L100 W101	E41-N69 CarbonylContact C-O 3.58Å; E41-N69 WeakPolarHBondContact CA-O 3.37Å; E41-L70 HydrophobicContact CB-CG 4.22Å; E41-L70 HydrophobicContact CG-CD1 4.24Å; E41-L70 HydrophobicContact CG-CG 4.22Å; E41-L100 HydrophobicContact CB-CB 4.39Å; E41-L100 HydrophobicContact CG-CB 4.34Å; E41-L100 PolarHBondContact O-N 2.95Å; E41-W101 HydrophobicContact CB-CB 4.01Å; E41-W101 HydrophobicContact CB-CE3 4.36Å; E41-W101 PolarHBondContact N-O 2.86Å
42	I	92.9	Very high	88.5	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.			trans	-133.2	99.1	-173.1	-55.4	174.7	0	0	0	108	V40 G44 G45 E48 A49 I52 N69 F71 F73 V99	V40-I42 HydrophobicContact CB-CD1 4.32Å; V40-I42 HydrophobicContact CB-CG1 4.41Å; V40-I42 HydrophobicContact CG1-CD1 3.83Å; V40-I42 HydrophobicContact CG1-CG1 3.73Å; I42-G44 PolarHBondContact O-N 2.59Å; I42-G44 VanDerWaalsContact O-N 3.08Å; I42-G45 PolarHBondContact O-N 2.75Å; I42-E48 HydrophobicContact CG2-CB 4.2Å; I42-E48 HydrophobicContact CG2-CG 4.44Å; I42-A49 HydrophobicContact CD1-CB 3.8Å; I42-I52 HydrophobicContact CD1-CD1 3.89Å; I42-I52 HydrophobicContact CG1-CD1 4.3Å; I42-I52 HydrophobicContact CG2-CD1 3.69Å; I42-N69 PolarHBondContact N-O 3.31Å; I42-N69 VanDerWaalsContact O-CB 3.28Å; I42-N69 WeakPolarHBondContact O-CB 3.4Å; I42-N69 PolarHBondContact O-OD1 3.24Å; I42-F71 HydrophobicContact CB-CD2 4.09Å; I42-F71 HydrophobicContact CB-CE2 4.16Å; I42-F71 HydrophobicContact CD1-CD2 4.35Å; I42-F71 HydrophobicContact CG1-CD2 4.43Å; I42-F73 HydrophobicContact CD1-CE1 4.14Å; I42-F73 HydrophobicContact CD1-CE2 4.24Å; I42-F73 HydrophobicContact CD1-CZ 3.51Å; I42-V99 HydrophobicContact CD1-CG2 4.46Å; I42-V99 HydrophobicContact CG1-CG2 4.23Å
43	P	87.8	Confident	89.4	Confident	67 Å²	67	37 Å²	37	44%	0.435	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.3	-177.4	-26.4	35.7	0	0	0	115.2	G45 N69 L100	P43-G45 PolarHBondContact O-N 2.87Å; P43-N69 PolarHBondContact O-OD1 3.44Å; P43-L100 HydrophobicContact CG-CD1 3.27Å; P43-L100 HydrophobicContact CG-CD2 4.45Å; P43-L100 HydrophobicContact CG-CG 3.57Å
44	G	83.1	Confident	89.8	Confident	36 Å²	36	43.5 Å²	43.5	37%	0.371	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-2.1	179.2	0	0	0	0	0	116	I42 E48	I42-G44 PolarHBondContact O-N 2.59Å; I42-G44 VanDerWaalsContact O-N 3.08Å; G44-E48 WeakPolarHBondContact CA-OE2 3.19Å
45	G	83.8	Confident	90.1	Very high	17 Å²	17	48.4 Å²	48.4	18%	0.175	27%	0.266	C	S	.	.	H	α-helix	trans	71	-167.6	-179.6	0	0	0	0	0	113.9	I42 P43 S47 E48 A49	I42-G45 PolarHBondContact O-N 2.75Å; P43-G45 PolarHBondContact O-N 2.87Å; G45-S47 VanDerWaalsContact C-N 3.35Å; G45-S47 PolarHBondContact O-N 3.05Å; G45-E48 PolarHBondContact O-N 3.09Å; G45-A49 PolarHBondContact O-N 2.81Å; G45-A49 VanDerWaalsContact O-N 3.08Å
46	L	85.3	Confident	90.2	Very high	93 Å²	93	48.6 Å²	48.6	49%	0.487	27%	0.266	S	S	.	.	H	α-helix	trans	-60	-40.2	-167.2	-172.9	69.5	0	0	0	113.6	E48 A49 E50 L60 F71	L46-E48 VanDerWaalsContact C-N 3.31Å; L46-E48 PolarHBondContact O-N 2.94Å; L46-A49 PolarHBondContact O-N 3.04Å; L46-E50 WeakPolarHBondContact O-CG 3.17Å; L46-E50 PolarHBondContact O-N 3.02Å; L46-L60 HydrophobicContact CD1-CD2 3.66Å; L46-F71 HydrophobicContact CB-CE1 4.33Å; L46-F71 HydrophobicContact CD1-CD1 4.26Å; L46-F71 HydrophobicContact CD1-CE1 3.78Å
47	S	87.9	Confident	90.2	Very high	96 Å²	96	53.4 Å²	53.4	67%	0.671	29%	0.292	S	S	*	.	H	α-helix	trans	-66.2	-34.4	-177.9	-173	0	0	0	0	112.4	G45 A51	G45-S47 VanDerWaalsContact C-N 3.35Å; G45-S47 PolarHBondContact O-N 3.05Å; S47-A51 PolarHBondContact O-N 3.36Å
48	E	90	Very high	90.2	Very high	72 Å²	72	51.6 Å²	51.6	34%	0.336	28%	0.283	S	S	.	.	H	α-helix	trans	-79.8	-36.2	180	-153.6	160	157.3	0	0	110.4	I42 G44 G45 L46 E50 A51 I52 R98	I42-E48 HydrophobicContact CG2-CB 4.2Å; I42-E48 HydrophobicContact CG2-CG 4.44Å; G44-E48 WeakPolarHBondContact CA-OE2 3.19Å; G45-E48 PolarHBondContact O-N 3.09Å; L46-E48 VanDerWaalsContact C-N 3.31Å; L46-E48 PolarHBondContact O-N 2.94Å; E48-E50 PolarHBondContact O-N 2.73Å; E48-A51 PolarHBondContact O-N 3.31Å; E48-I52 HydrophobicContact CG-CD1 4.26Å; E48-I52 WeakPolarHBondContact O-CD1 3.29Å; E48-I52 VanDerWaalsContact O-CG1 3.29Å; E48-I52 WeakPolarHBondContact O-CG1 3.26Å; E48-I52 PolarHBondContact O-N 3.12Å; E48-R98 VanDerWaalsContact OE1-CD 3.26Å; E48-R98 WeakPolarHBondContact OE1-CD 3.19Å; E48-R98 WeakPolarHBondContact OE1-CG 3.29Å
49	A	89.6	Confident	90.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-41	171.2	0	0	0	0	0	113	I42 G45 L46 A53 F71 F73	I42-A49 HydrophobicContact CD1-CB 3.8Å; G45-A49 PolarHBondContact O-N 2.81Å; G45-A49 VanDerWaalsContact O-N 3.08Å; L46-A49 PolarHBondContact O-N 3.04Å; A49-A53 VanDerWaalsContact O-CB 3.22Å; A49-A53 WeakPolarHBondContact O-CB 3.46Å; A49-A53 PolarHBondContact O-N 2.75Å; A49-F71 HydrophobicContact CB-CB 4.42Å; A49-F71 HydrophobicContact CB-CD1 4.09Å; A49-F71 HydrophobicContact CB-CD2 3.56Å; A49-F71 HydrophobicContact CB-CE1 4.27Å; A49-F71 HydrophobicContact CB-CE2 3.74Å; A49-F71 HydrophobicContact CB-CG 3.74Å; A49-F71 HydrophobicContact CB-CZ 4.11Å; A49-F73 HydrophobicContact CB-CE1 4.15Å; A49-F73 HydrophobicContact CB-CZ 4.17Å; A49-F73 WeakPolarHBondContact O-CZ 3.49Å
50	E	90.8	Very high	90	Very high	109 Å²	109	59.2 Å²	59.2	51%	0.509	32%	0.319	S	S	.	.	H	α-helix	trans	-64.1	-39.3	174.6	-76.9	-179.1	179.3	0	0	112.6	L46 E48 K54 L60	L46-E50 WeakPolarHBondContact O-CG 3.17Å; L46-E50 PolarHBondContact O-N 3.02Å; E48-E50 PolarHBondContact O-N 2.73Å; E50-K54 WeakPolarHBondContact O-CB 3.44Å; E50-K54 PolarHBondContact O-N 3.17Å; E50-K54 VanDerWaalsContact O-N 3.11Å; E50-L60 HydrophobicContact CG-CD2 3.44Å; E50-L60 VanDerWaalsContact CG-CD2 3.44Å
51	A	91.6	Very high	89.8	Confident	36 Å²	36	62.1 Å²	62.1	30%	0.298	34%	0.337	S	S	.	.	H	α-helix	trans	-65.7	-50	177.5	0	0	0	0	0	111.4	S47 E48 A53 K54 E55	S47-A51 PolarHBondContact O-N 3.36Å; E48-A51 PolarHBondContact O-N 3.31Å; A51-A53 VanDerWaalsContact C-N 3.34Å; A51-A53 PolarHBondContact O-N 3.01Å; A51-K54 PolarHBondContact O-N 3.43Å; A51-E55 WeakPolarHBondContact O-CB 3.43Å; A51-E55 WeakPolarHBondContact O-CG 3.15Å; A51-E55 PolarHBondContact O-N 2.83Å
52	I	91.9	Very high	89.4	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61.9	-42.9	178.7	-66.1	159.3	0	0	0	110.7	I42 E48 K54 E55 L56 F73 L93 R98 V99	I42-I52 HydrophobicContact CD1-CD1 3.89Å; I42-I52 HydrophobicContact CG1-CD1 4.3Å; I42-I52 HydrophobicContact CG2-CD1 3.69Å; E48-I52 HydrophobicContact CG-CD1 4.26Å; E48-I52 WeakPolarHBondContact O-CD1 3.29Å; E48-I52 VanDerWaalsContact O-CG1 3.29Å; E48-I52 WeakPolarHBondContact O-CG1 3.26Å; E48-I52 PolarHBondContact O-N 3.12Å; I52-K54 VanDerWaalsContact C-N 3.33Å; I52-K54 PolarHBondContact O-N 2.99Å; I52-E55 PolarHBondContact O-N 3.43Å; I52-L56 HydrophobicContact CG2-CD1 3.75Å; I52-L56 HydrophobicContact CG2-CG 4.45Å; I52-L56 WeakPolarHBondContact O-CB 3.37Å; I52-L56 PolarHBondContact O-N 3.4Å; I52-F73 HydrophobicContact CG2-CE2 4.11Å; I52-L93 HydrophobicContact CG2-CD2 4.33Å; I52-R98 HydrophobicContact CD1-CB 3.65Å; I52-R98 VanDerWaalsContact CG1-CZ 3.41Å; I52-V99 HydrophobicContact CD1-CG2 4.24Å; I52-V99 HydrophobicContact CG2-CG2 4.08Å
53	A	90.8	Very high	89	Confident	2 Å²	2	70.1 Å²	70.1	2%	0.017	37%	0.367	C	S	.	.	H	α-helix	trans	-58.3	-47.8	177.2	0	0	0	0	0	110.9	A49 A51 D57 Y58 L60 F73	A49-A53 VanDerWaalsContact O-CB 3.22Å; A49-A53 WeakPolarHBondContact O-CB 3.46Å; A49-A53 PolarHBondContact O-N 2.75Å; A51-A53 VanDerWaalsContact C-N 3.34Å; A51-A53 PolarHBondContact O-N 3.01Å; A53-D57 PolarHBondContact O-N 3Å; A53-Y58 CarbonylContact C-O 3.59Å; A53-Y58 WeakPolarHBondContact CB-O 3.47Å; A53-Y58 CarbonylContact O-C 3.55Å; A53-Y58 WeakPolarHBondContact O-CA 3.47Å; A53-Y58 PolarHBondContact O-N 2.8Å; A53-L60 HydrophobicContact CB-CB 4.13Å; A53-F73 HydrophobicContact CB-CD2 4.1Å; A53-F73 HydrophobicContact CB-CE1 4.28Å; A53-F73 HydrophobicContact CB-CE2 3.68Å; A53-F73 HydrophobicContact CB-CZ 3.79Å
54	K	91.3	Very high	88.4	Confident	181 Å²	181	69 Å²	69	79%	0.787	36%	0.357	S	S	*	.	H	α-helix	trans	-68.2	-37.9	-179.5	-170	178.3	179.9	-177.9	0	113.4	E50 A51 I52	E50-K54 WeakPolarHBondContact O-CB 3.44Å; E50-K54 PolarHBondContact O-N 3.17Å; E50-K54 VanDerWaalsContact O-N 3.11Å; A51-K54 PolarHBondContact O-N 3.43Å; I52-K54 VanDerWaalsContact C-N 3.33Å; I52-K54 PolarHBondContact O-N 2.99Å
55	E	92.1	Very high	88.1	Confident	126 Å²	126	70.2 Å²	70.2	59%	0.589	37%	0.37	S	S	*	.	H	α-helix	trans	-69.4	-35.3	179.9	-75.9	171.4	-176.3	0	0	112.5	A51 I52 R98	A51-E55 WeakPolarHBondContact O-CB 3.43Å; A51-E55 WeakPolarHBondContact O-CG 3.15Å; A51-E55 PolarHBondContact O-N 2.83Å; I52-E55 PolarHBondContact O-N 3.43Å; E55-R98 IonicContact OE2-CZ 3.95Å; E55-R98 IonicContact OE2-NH1 2.64Å; E55-R98 PolarHBondContact OE2-NH1 2.89Å; E55-R98 IonicContact OE2-NH2 2.8Å; E55-R98 PolarHBondContact OE2-NH2 2.93Å
56	L	90.1	Very high	87.1	Confident	44 Å²	44	74.1 Å²	74.1	23%	0.23	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	14.1	-176.9	-59.2	178.5	0	0	0	113.9	I52 Y58 L93 D96	I52-L56 HydrophobicContact CG2-CD1 3.75Å; I52-L56 HydrophobicContact CG2-CG 4.45Å; I52-L56 WeakPolarHBondContact O-CB 3.37Å; I52-L56 PolarHBondContact O-N 3.4Å; L56-Y58 VanDerWaalsContact C-N 3.34Å; L56-Y58 HydrophobicContact CB-CD2 3.72Å; L56-Y58 HydrophobicContact CB-CE2 3.86Å; L56-Y58 WeakPolarHBondContact O-CD2 3.41Å; L56-Y58 VanDerWaalsContact O-CE2 3.31Å; L56-Y58 WeakPolarHBondContact O-CE2 3.48Å; L56-Y58 PolarHBondContact O-N 2.68Å; L56-L93 HydrophobicContact CD1-CD2 3.86Å; L56-D96 HydrophobicContact CD1-CB 4.45Å
57	D	90.6	Very high	86.5	Confident	117 Å²	117	74.3 Å²	74.3	63%	0.626	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	34	179.2	-159.8	39.1	0	0	0	115	A53 H75	A53-D57 PolarHBondContact O-N 3Å; D57-H75 PolarHBondContact O-CD2 3.31Å
58	Y	92.3	Very high	86.1	Confident	14 Å²	14	77.2 Å²	77.2	6%	0.055	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	154.2	168.8	-65.8	-99.6	0	0	0	111.9	W38 A53 L56 F73 H75 I89 L93	W38-Y58 AromaticContact CD2-CE1 3.87Å; W38-Y58 HydrophobicContact CD2-CE1 3.87Å; W38-Y58 HydrophobicContact CE3-CD1 4.24Å; W38-Y58 AromaticContact CE3-CE1 3.71Å; W38-Y58 HydrophobicContact CE3-CE1 3.71Å; W38-Y58 HydrophobicContact CG-CE1 4.29Å; W38-Y58 HydrophobicContact CZ3-CE1 4.18Å; A53-Y58 CarbonylContact C-O 3.59Å; A53-Y58 WeakPolarHBondContact CB-O 3.47Å; A53-Y58 CarbonylContact O-C 3.55Å; A53-Y58 WeakPolarHBondContact O-CA 3.47Å; A53-Y58 PolarHBondContact O-N 2.8Å; L56-Y58 VanDerWaalsContact C-N 3.34Å; L56-Y58 HydrophobicContact CB-CD2 3.72Å; L56-Y58 HydrophobicContact CB-CE2 3.86Å; L56-Y58 WeakPolarHBondContact O-CD2 3.41Å; L56-Y58 VanDerWaalsContact O-CE2 3.31Å; L56-Y58 WeakPolarHBondContact O-CE2 3.48Å; L56-Y58 PolarHBondContact O-N 2.68Å; Y58-F73 HydrophobicContact CD1-CB 3.91Å; Y58-F73 HydrophobicContact CD1-CD2 4.3Å; Y58-F73 HydrophobicContact CD2-CD2 4.49Å; Y58-F73 HydrophobicContact CG-CB 4.29Å; Y58-F73 AromaticContact CG-CD2 3.95Å; Y58-F73 HydrophobicContact CG-CD2 3.95Å; Y58-H75 HydrophobicContact CD1-CB 3.86Å; Y58-H75 AromaticContact CD1-CD2 3.71Å; Y58-H75 AromaticContact CD2-CD2 3.89Å; Y58-H75 HydrophobicContact CE1-CB 3.82Å; Y58-H75 AromaticContact CE1-CD2 3.54Å; Y58-H75 AromaticContact CE2-CD2 3.72Å; Y58-H75 AromaticContact CG-CD2 3.9Å; Y58-H75 AromaticContact CZ-CD2 3.56Å; Y58-I89 HydrophobicContact CE1-CG2 3.93Å; Y58-I89 WeakPolarHBondContact OH-CG2 3.39Å; Y58-I89 PolarHBondContact OH-O 3.13Å; Y58-L93 HydrophobicContact CD1-CD1 4.44Å; Y58-L93 HydrophobicContact CD2-CD2 4.14Å; Y58-L93 HydrophobicContact CD2-CG 4.5Å; Y58-L93 HydrophobicContact CE1-CD1 3.7Å; Y58-L93 HydrophobicContact CE1-CG 4.36Å; Y58-L93 HydrophobicContact CE2-CD1 4.03Å; Y58-L93 HydrophobicContact CE2-CD2 3.85Å; Y58-L93 HydrophobicContact CE2-CG 3.75Å; Y58-L93 VanDerWaalsContact CZ-CD1 3.45Å; Y58-L93 VanDerWaalsContact OH-CD1 3.31Å; Y58-L93 WeakPolarHBondContact OH-CD1 3.44Å; Y58-L93 WeakPolarHBondContact OH-CG 3.47Å
59	Q	91.8	Very high	85.9	Confident	128 Å²	128	76.4 Å²	76.4	60%	0.598	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.5	165.7	-175.9	179.5	10.7	0	0	109.2	V61 F73 K74	Q59-V61 PolarHBondContact O-N 3.46Å; Q59-F73 CarbonylContact O-C 3.52Å; Q59-F73 WeakPolarHBondContact O-CA 3.34Å; Q59-K74 HydrophobicContact CB-CB 4.45Å; Q59-K74 PolarHBondContact N-O 2.89Å; Q59-K74 PolarHBondContact O-N 2.91Å
60	L	90.8	Very high	85.9	Confident	37 Å²	37	78 Å²	78	19%	0.194	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	118.2	165.1	174.3	67.8	0	0	0	108.7	L46 E50 A53 F71 F73	L46-L60 HydrophobicContact CD1-CD2 3.66Å; E50-L60 HydrophobicContact CG-CD2 3.44Å; E50-L60 VanDerWaalsContact CG-CD2 3.44Å; A53-L60 HydrophobicContact CB-CB 4.13Å; L60-F71 HydrophobicContact CD1-CB 3.76Å; L60-F71 HydrophobicContact CD1-CD1 3.99Å; L60-F71 HydrophobicContact CD1-CG 4.16Å; L60-F73 HydrophobicContact CB-CE1 4.44Å; L60-F73 HydrophobicContact CD1-CD1 3.79Å; L60-F73 HydrophobicContact CD1-CE1 3.54Å
61	V	88.4	Confident	85.8	Confident	62 Å²	62	73 Å²	73	38%	0.376	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-51.8	179.8	-175.2	0	0	0	0	110.3	Q59 L72 K74	Q59-V61 PolarHBondContact O-N 3.46Å; V61-L72 WeakPolarHBondContact CA-O 3.48Å; V61-L72 HydrophobicContact CB-CB 4.37Å; V61-L72 HydrophobicContact CB-CD2 4.37Å; V61-L72 HydrophobicContact CB-CG 4.43Å; V61-L72 VanDerWaalsContact CB-O 3.27Å; V61-L72 WeakPolarHBondContact CB-O 3.41Å; V61-L72 HydrophobicContact CG1-CD2 4.36Å; V61-L72 PolarHBondContact N-O 3.08Å; V61-K74 HydrophobicContact CG2-CB 3.54Å; V61-K74 HydrophobicContact CG2-CD 4.4Å
62	R	84.6	Confident	85.8	Confident	157 Å²	157	72 Å²	72	59%	0.592	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-175.5	169	-178.3	57.2	179.8	179.3	153.2	0.3	111.8	L72	R62-L72 HydrophobicContact CG-CB 4.32Å; R62-L72 PolarHBondContact O-N 3.39Å
63	Q	85.4	Confident	85.9	Confident	78 Å²	78	72 Å²	72	36%	0.364	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	143.6	158.8	-172	176.9	-23.6	0	0	110.6	G65 L67 L70 F71	Q63-G65 PolarHBondContact O-N 2.84Å; Q63-G65 VanDerWaalsContact O-N 3.13Å; Q63-L67 WeakPolarHBondContact CG-O 3.39Å; Q63-L67 PolarHBondContact NE2-O 2.84Å; Q63-L70 WeakPolarHBondContact CA-O 3.45Å; Q63-L70 WeakPolarHBondContact CG-O 3.43Å; Q63-F71 HydrophobicContact CB-CD1 4.14Å; Q63-F71 HydrophobicContact CB-CE1 4.17Å; Q63-F71 HydrophobicContact CG-CD1 4.45Å; Q63-F71 HydrophobicContact CG-CE1 4.28Å
64	I	74.7	Confident	86	Confident	45 Å²	45	74.6 Å²	74.6	23%	0.231	39%	0.388	C	S	.	.			trans	-81.9	93.2	-178.1	-60.1	177	0	0	0	109.5	A39 A66 L67 L70 L72	A39-I64 HydrophobicContact CB-CD1 3.54Å; I64-A66 PolarHBondContact O-N 2.97Å; I64-L67 HydrophobicContact CG2-CD1 4.29Å; I64-L67 WeakPolarHBondContact O-CB 3.47Å; I64-L67 WeakPolarHBondContact O-CG 3.26Å; I64-L67 PolarHBondContact O-N 3.39Å; I64-L70 HydrophobicContact CB-CB 4.43Å; I64-L70 PolarHBondContact N-O 3.06Å; I64-L72 HydrophobicContact CD1-CB 4.3Å; I64-L72 HydrophobicContact CD1-CD1 4.45Å; I64-L72 HydrophobicContact CG1-CB 3.95Å
65	G	76.4	Confident	85.9	Confident	61 Å²	61	66.6 Å²	66.6	63%	0.629	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	-135.2	179.3	0	0	0	0	0	111.7	Q63	Q63-G65 PolarHBondContact O-N 2.84Å; Q63-G65 VanDerWaalsContact O-N 3.13Å
66	A	63.7	Low	85.4	Confident	98 Å²	98	64.1 Å²	64.1	81%	0.81	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	10	175.3	0	0	0	0	0	113.2	I64 E68	I64-A66 PolarHBondContact O-N 2.97Å; A66-E68 PolarHBondContact O-N 3Å
67	L	71.3	Confident	85	Confident	97 Å²	97	66.3 Å²	66.3	51%	0.508	38%	0.38	S	S	.	.			trans	-76.5	115.5	-178.4	-57.9	176.6	0	0	0	109.5	Q63 I64 L70	Q63-L67 WeakPolarHBondContact CG-O 3.39Å; Q63-L67 PolarHBondContact NE2-O 2.84Å; I64-L67 HydrophobicContact CG2-CD1 4.29Å; I64-L67 WeakPolarHBondContact O-CB 3.47Å; I64-L67 WeakPolarHBondContact O-CG 3.26Å; I64-L67 PolarHBondContact O-N 3.39Å; L67-L70 HydrophobicContact CB-CB 4.12Å; L67-L70 HydrophobicContact CB-CD1 4.17Å
68	E	79.4	Confident	84.7	Confident	157 Å²	157	61.5 Å²	61.5	73%	0.734	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	143.2	175.9	-65.8	-175.9	176.2	0	0	110.6	A66 L70	A66-E68 PolarHBondContact O-N 3Å; E68-L70 WeakPolarHBondContact O-CD1 3.25Å; E68-L70 PolarHBondContact O-N 3.03Å
69	N	87.3	Confident	84.4	Confident	55 Å²	55	64.1 Å²	64.1	29%	0.294	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	4.7	178.3	-58.5	-32.1	0	0	0	116.4	E41 I42 P43	E41-N69 CarbonylContact C-O 3.58Å; E41-N69 WeakPolarHBondContact CA-O 3.37Å; I42-N69 PolarHBondContact N-O 3.31Å; I42-N69 VanDerWaalsContact O-CB 3.28Å; I42-N69 WeakPolarHBondContact O-CB 3.4Å; I42-N69 PolarHBondContact O-OD1 3.24Å; P43-N69 PolarHBondContact O-OD1 3.44Å
70	L	87.9	Confident	83.7	Confident	34 Å²	34	67.2 Å²	67.2	18%	0.178	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123	173.8	-80.5	102.7	0	0	0	112.3	V40 E41 Q63 I64 L67 E68 W101	V40-L70 CarbonylContact O-C 3.47Å; V40-L70 WeakPolarHBondContact O-CA 3.28Å; E41-L70 HydrophobicContact CB-CG 4.22Å; E41-L70 HydrophobicContact CG-CD1 4.24Å; E41-L70 HydrophobicContact CG-CG 4.22Å; Q63-L70 WeakPolarHBondContact CA-O 3.45Å; Q63-L70 WeakPolarHBondContact CG-O 3.43Å; I64-L70 HydrophobicContact CB-CB 4.43Å; I64-L70 PolarHBondContact N-O 3.06Å; L67-L70 HydrophobicContact CB-CB 4.12Å; L67-L70 HydrophobicContact CB-CD1 4.17Å; E68-L70 WeakPolarHBondContact O-CD1 3.25Å; E68-L70 PolarHBondContact O-N 3.03Å; L70-W101 HydrophobicContact CD2-CZ3 4.25Å
71	F	89.1	Confident	83.3	Confident	3 Å²	3	72.3 Å²	72.3	1%	0.013	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	150.5	-174.4	-57	-80.3	0	0	0	111.6	A39 V40 I42 L46 A49 L60 Q63 F73	A39-F71 CarbonylContact C-O 3.57Å; A39-F71 WeakPolarHBondContact CA-O 3.15Å; V40-F71 PolarHBondContact N-O 3.26Å; V40-F71 PolarHBondContact O-N 3.07Å; I42-F71 HydrophobicContact CB-CD2 4.09Å; I42-F71 HydrophobicContact CB-CE2 4.16Å; I42-F71 HydrophobicContact CD1-CD2 4.35Å; I42-F71 HydrophobicContact CG1-CD2 4.43Å; L46-F71 HydrophobicContact CB-CE1 4.33Å; L46-F71 HydrophobicContact CD1-CD1 4.26Å; L46-F71 HydrophobicContact CD1-CE1 3.78Å; A49-F71 HydrophobicContact CB-CB 4.42Å; A49-F71 HydrophobicContact CB-CD1 4.09Å; A49-F71 HydrophobicContact CB-CD2 3.56Å; A49-F71 HydrophobicContact CB-CE1 4.27Å; A49-F71 HydrophobicContact CB-CE2 3.74Å; A49-F71 HydrophobicContact CB-CG 3.74Å; A49-F71 HydrophobicContact CB-CZ 4.11Å; L60-F71 HydrophobicContact CD1-CB 3.76Å; L60-F71 HydrophobicContact CD1-CD1 3.99Å; L60-F71 HydrophobicContact CD1-CG 4.16Å; Q63-F71 HydrophobicContact CB-CD1 4.14Å; Q63-F71 HydrophobicContact CB-CE1 4.17Å; Q63-F71 HydrophobicContact CG-CD1 4.45Å; Q63-F71 HydrophobicContact CG-CE1 4.28Å; F71-F73 HydrophobicContact CB-CD1 4.14Å; F71-F73 HydrophobicContact CB-CE1 3.76Å
72	L	92.5	Very high	83	Confident	15 Å²	15	73.1 Å²	73.1	8%	0.079	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.2	174.2	-170.1	70.5	0	0	0	109	E37 W38 V61 R62 I64 Q105	E37-L72 HydrophobicContact CB-CD1 4.13Å; W38-L72 CarbonylContact O-C 3.58Å; W38-L72 WeakPolarHBondContact O-CA 3.37Å; V61-L72 WeakPolarHBondContact CA-O 3.48Å; V61-L72 HydrophobicContact CB-CB 4.37Å; V61-L72 HydrophobicContact CB-CD2 4.37Å; V61-L72 HydrophobicContact CB-CG 4.43Å; V61-L72 VanDerWaalsContact CB-O 3.27Å; V61-L72 WeakPolarHBondContact CB-O 3.41Å; V61-L72 HydrophobicContact CG1-CD2 4.36Å; V61-L72 PolarHBondContact N-O 3.08Å; R62-L72 HydrophobicContact CG-CB 4.32Å; R62-L72 PolarHBondContact O-N 3.39Å; I64-L72 HydrophobicContact CD1-CB 4.3Å; I64-L72 HydrophobicContact CD1-CD1 4.45Å; I64-L72 HydrophobicContact CG1-CB 3.95Å; L72-Q105 HydrophobicContact CD1-CG 3.97Å
73	F	94.1	Very high	82.8	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	156.9	177.6	-77.3	22	0	0	0	110.2	E37 W38 V40 I42 A49 I52 A53 Y58 Q59 L60 F71 L93	E37-F73 CarbonylContact C-O 3.52Å; E37-F73 WeakPolarHBondContact CA-O 3.04Å; W38-F73 HydrophobicContact CB-CB 4.4Å; W38-F73 PolarHBondContact N-O 2.87Å; W38-F73 PolarHBondContact O-N 2.96Å; V40-F73 HydrophobicContact CG2-CB 4.23Å; V40-F73 HydrophobicContact CG2-CD1 4.36Å; V40-F73 HydrophobicContact CG2-CD2 4.04Å; V40-F73 HydrophobicContact CG2-CE2 4.48Å; V40-F73 HydrophobicContact CG2-CG 3.98Å; I42-F73 HydrophobicContact CD1-CE1 4.14Å; I42-F73 HydrophobicContact CD1-CE2 4.24Å; I42-F73 HydrophobicContact CD1-CZ 3.51Å; A49-F73 HydrophobicContact CB-CE1 4.15Å; A49-F73 HydrophobicContact CB-CZ 4.17Å; A49-F73 WeakPolarHBondContact O-CZ 3.49Å; I52-F73 HydrophobicContact CG2-CE2 4.11Å; A53-F73 HydrophobicContact CB-CD2 4.1Å; A53-F73 HydrophobicContact CB-CE1 4.28Å; A53-F73 HydrophobicContact CB-CE2 3.68Å; A53-F73 HydrophobicContact CB-CZ 3.79Å; Y58-F73 HydrophobicContact CD1-CB 3.91Å; Y58-F73 HydrophobicContact CD1-CD2 4.3Å; Y58-F73 HydrophobicContact CD2-CD2 4.49Å; Y58-F73 HydrophobicContact CG-CB 4.29Å; Y58-F73 AromaticContact CG-CD2 3.95Å; Y58-F73 HydrophobicContact CG-CD2 3.95Å; Q59-F73 CarbonylContact O-C 3.52Å; Q59-F73 WeakPolarHBondContact O-CA 3.34Å; L60-F73 HydrophobicContact CB-CE1 4.44Å; L60-F73 HydrophobicContact CD1-CD1 3.79Å; L60-F73 HydrophobicContact CD1-CE1 3.54Å; F71-F73 HydrophobicContact CB-CD1 4.14Å; F71-F73 HydrophobicContact CB-CE1 3.76Å; F73-L93 HydrophobicContact CD2-CD2 3.96Å; F73-L93 HydrophobicContact CE2-CD2 4.06Å
74	K	91.6	Very high	82.6	Confident	58 Å²	58	81.8 Å²	81.8	25%	0.252	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	130.6	178	-178.1	178.2	-172.1	169.1	0	111	N36 E37 Q59 V61	N36-K74 WeakPolarHBondContact ND2-CE 3.3Å; N36-K74 WeakPolarHBondContact O-CA 3.46Å; N36-K74 WeakPolarHBondContact O-CG 3.39Å; E37-K74 HydrophobicContact CG-CB 4.46Å; E37-K74 HydrophobicContact CG-CG 4.39Å; Q59-K74 HydrophobicContact CB-CB 4.45Å; Q59-K74 PolarHBondContact N-O 2.89Å; Q59-K74 PolarHBondContact O-N 2.91Å; V61-K74 HydrophobicContact CG2-CB 3.54Å; V61-K74 HydrophobicContact CG2-CD 4.4Å
75	H	90.3	Very high	83.1	Confident	12 Å²	12	81.8 Å²	81.8	6%	0.056	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.3	-178.9	-157	-86.8	0	0	0	110.9	N36 W38 D57 Y58 S77 H78 I89	N36-H75 PolarHBondContact O-N 2.65Å; N36-H75 VanDerWaalsContact O-N 3.14Å; W38-H75 HydrophobicContact CE3-CB 4.15Å; W38-H75 HydrophobicContact CH2-CB 3.9Å; W38-H75 HydrophobicContact CZ3-CB 3.38Å; D57-H75 PolarHBondContact O-CD2 3.31Å; Y58-H75 HydrophobicContact CD1-CB 3.86Å; Y58-H75 AromaticContact CD1-CD2 3.71Å; Y58-H75 AromaticContact CD2-CD2 3.89Å; Y58-H75 HydrophobicContact CE1-CB 3.82Å; Y58-H75 AromaticContact CE1-CD2 3.54Å; Y58-H75 AromaticContact CE2-CD2 3.72Å; Y58-H75 AromaticContact CG-CD2 3.9Å; Y58-H75 AromaticContact CZ-CD2 3.56Å; H75-S77 PolarHBondContact CE1-OG 3.23Å; H75-S77 PolarHBondContact ND1-OG 2.89Å; H75-S77 PolarHBondContact O-N 2.81Å; H75-H78 HydrophobicContact CB-CB 4.32Å; H75-H78 PolarHBondContact O-N 3.37Å; H75-I89 HydrophobicContact CB-CG2 4.4Å
76	G	81.9	Confident	83.5	Confident	74 Å²	74	79.6 Å²	79.6	76%	0.763	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-31.7	-172.8	0	0	0	0	0	114.2
77	S	81.3	Confident	84.5	Confident	91 Å²	91	81.8 Å²	81.8	64%	0.636	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-5.7	-179	71.4	0	0	0	0	114.6	H75	H75-S77 PolarHBondContact CE1-OG 3.23Å; H75-S77 PolarHBondContact ND1-OG 2.89Å; H75-S77 PolarHBondContact O-N 2.81Å
78	H	84.8	Confident	85.1	Confident	16 Å²	16	82.7 Å²	82.7	7%	0.074	40%	0.4	C	S	.	.	S	Bend	trans	-93.6	132.2	177.1	-171.2	-75.6	0	0	0	111.1	N36 W38 H75 A86 I89 Q104	N36-H78 HydrophobicContact CB-CB 3.96Å; N36-H78 WeakPolarHBondContact CB-O 3.48Å; N36-H78 PolarHBondContact ND2-O 3.46Å; W38-H78 HydrophobicContact CH2-CB 3.92Å; W38-H78 AromaticContact CH2-CG 3.87Å; W38-H78 HydrophobicContact CZ3-CB 4.47Å; H75-H78 HydrophobicContact CB-CB 4.32Å; H75-H78 PolarHBondContact O-N 3.37Å; H78-A86 WeakPolarHBondContact CD2-CB 3.46Å; H78-A86 WeakPolarHBondContact NE2-CB 3.29Å; H78-I89 HydrophobicContact CB-CD1 4.08Å; H78-Q104 PolarHBondContact CE1-NE2 2.98Å; H78-Q104 PolarHBondContact NE2-NE2 2.95Å
79	P	84.3	Confident	85.4	Confident	69 Å²	69	76.3 Å²	76.3	45%	0.448	37%	0.371	S	S	.	.			trans	-60.5	147.5	178.5	-22.4	32.5	0	0	0	113.2	R81 M82	P79-R81 PolarHBondContact O-N 2.83Å; P79-R81 VanDerWaalsContact O-N 3.11Å; P79-M82 HydrophobicContact CB-CG 4.03Å; P79-M82 HydrophobicContact CB-SD 4.32Å; P79-M82 HydrophobicContact CG-CG 4.15Å; P79-M82 HydrophobicContact CG-SD 4.13Å
80	R	79.1	Confident	85.4	Confident	193 Å²	193	74.9 Å²	74.9	73%	0.728	36%	0.364	S	S	*	.	S	Bend	trans	-57.9	-26.8	-176.8	-71.8	-175	179.5	-174.4	-1.2	114.8	L35	L35-R80 WeakPolarHBondContact CD2-O 3.45Å
81	R	80.7	Confident	85.4	Confident	144 Å²	144	79.2 Å²	79.2	54%	0.543	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	128.4	177.9	-67	-179.6	-179.3	-124.3	1.9	109.9	Y34 L35 P79 E107	Y34-R81 CarbonylContact O-C 3.58Å; Y34-R81 WeakPolarHBondContact O-CA 3.38Å; L35-R81 HydrophobicContact CD2-CG 4.2Å; P79-R81 PolarHBondContact O-N 2.83Å; P79-R81 VanDerWaalsContact O-N 3.11Å; R81-E107 IonicContact CZ-OE1 3.61Å; R81-E107 IonicContact NH1-OE1 2.79Å; R81-E107 PolarHBondContact NH1-OE1 2.97Å; R81-E107 IonicContact NH1-OE2 3.29Å; R81-E107 PolarHBondContact NH1-OE2 2.91Å; R81-E107 IonicContact NH2-OE1 3.62Å
82	M	83.2	Confident	85.3	Confident	79 Å²	79	82.7 Å²	82.7	39%	0.389	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.3	178	-77.3	-71	-82.6	0	0	111	Q33 Y34 P79 R84	Q33-M82 CarbonylContact C-O 3.52Å; Q33-M82 WeakPolarHBondContact CA-O 3.34Å; Y34-M82 PolarHBondContact N-O 2.95Å; Y34-M82 PolarHBondContact O-N 2.87Å; P79-M82 HydrophobicContact CB-CG 4.03Å; P79-M82 HydrophobicContact CB-SD 4.32Å; P79-M82 HydrophobicContact CG-CG 4.15Å; P79-M82 HydrophobicContact CG-SD 4.13Å; M82-R84 VanDerWaalsContact C-N 3.34Å
83	R	80.6	Confident	85.1	Confident	211 Å²	211	82 Å²	82	80%	0.796	39%	0.391	S	S	*	.	S	Bend	trans	-83.2	-10.7	175.5	-75.3	-177.3	164.7	176.1	-4.5	113.9
84	R	81.6	Confident	84.8	Confident	206 Å²	206	85.1 Å²	85.1	78%	0.777	41%	0.413	S	S	*	.	S	Bend	trans	-119.8	142	-179.4	-64.7	-175	-179.7	-175.8	0	109	M82	M82-R84 VanDerWaalsContact C-N 3.34Å
85	S	83.4	Confident	84.7	Confident	45 Å²	45	87.8 Å²	87.8	32%	0.315	43%	0.426	S	S	.	.			trans	-64.8	144.4	171	43.9	0	0	0	0	110.1	E87 Q104	S85-E87 VanDerWaalsContact C-N 3.34Å; S85-E87 PolarHBondContact O-N 2.82Å; S85-Q104 VanDerWaalsContact CA-OE1 3.31Å
86	A	85.3	Confident	84.6	Confident	15 Å²	15	88.6 Å²	88.6	12%	0.124	43%	0.431	C	S	.	.			trans	-92.5	73.7	170.3	0	0	0	0	0	109.4	W38 H78 H88 I89 T90	W38-A86 HydrophobicContact CZ2-CB 4.11Å; H78-A86 WeakPolarHBondContact CD2-CB 3.46Å; H78-A86 WeakPolarHBondContact NE2-CB 3.29Å; A86-H88 VanDerWaalsContact C-N 3.26Å; A86-H88 PolarHBondContact O-N 3.4Å; A86-I89 HydrophobicContact CB-CB 4.03Å; A86-I89 HydrophobicContact CB-CD1 4.02Å; A86-I89 HydrophobicContact CB-CG1 4.17Å; A86-I89 PolarHBondContact O-N 3.18Å; A86-T90 PolarHBondContact O-N 2.86Å; A86-T90 PolarHBondContact O-OG1 3.38Å
87	E	84.2	Confident	85	Confident	143 Å²	143	93 Å²	93	67%	0.668	44%	0.437	S	S	*	.	H	α-helix	trans	-58.5	-38.7	180	-68.4	178.6	-179.5	0	0	111.7	S85 I89 T90 R91	S85-E87 VanDerWaalsContact C-N 3.34Å; S85-E87 PolarHBondContact O-N 2.82Å; E87-I89 VanDerWaalsContact C-N 3.33Å; E87-I89 PolarHBondContact O-N 3.29Å; E87-T90 PolarHBondContact O-N 2.97Å; E87-R91 WeakPolarHBondContact O-CB 3.46Å; E87-R91 PolarHBondContact O-N 2.88Å
88	H	84.6	Confident	85.4	Confident	116 Å²	116	92.2 Å²	92.2	54%	0.537	42%	0.42	S	S	.	.	H	α-helix	trans	-60.7	-41.6	177.2	-176.7	-71.9	0	0	0	112.7	A86 Q92	A86-H88 VanDerWaalsContact C-N 3.26Å; A86-H88 PolarHBondContact O-N 3.4Å; H88-Q92 PolarHBondContact O-N 3.37Å
89	I	85.5	Confident	85.7	Confident	24 Å²	24	92 Å²	92	12%	0.123	42%	0.42	C	S	.	.	H	α-helix	trans	-72.5	-45.4	-178.8	-64.8	-177.5	0	0	0	109.2	W38 Y58 H75 H78 A86 E87 R91 Q92	W38-I89 HydrophobicContact CH2-CB 4.42Å; W38-I89 HydrophobicContact CH2-CD1 4.42Å; W38-I89 HydrophobicContact CH2-CG2 3.6Å; W38-I89 HydrophobicContact CZ2-CB 3.87Å; W38-I89 HydrophobicContact CZ2-CG2 3.3Å; W38-I89 HydrophobicContact CZ3-CG2 4.31Å; Y58-I89 HydrophobicContact CE1-CG2 3.93Å; Y58-I89 WeakPolarHBondContact OH-CG2 3.39Å; Y58-I89 PolarHBondContact OH-O 3.13Å; H75-I89 HydrophobicContact CB-CG2 4.4Å; H78-I89 HydrophobicContact CB-CD1 4.08Å; A86-I89 HydrophobicContact CB-CB 4.03Å; A86-I89 HydrophobicContact CB-CD1 4.02Å; A86-I89 HydrophobicContact CB-CG1 4.17Å; A86-I89 PolarHBondContact O-N 3.18Å; E87-I89 VanDerWaalsContact C-N 3.33Å; E87-I89 PolarHBondContact O-N 3.29Å; I89-R91 VanDerWaalsContact C-N 3.29Å; I89-R91 PolarHBondContact O-N 3.15Å; I89-Q92 WeakPolarHBondContact O-CB 3.26Å; I89-Q92 PolarHBondContact O-N 2.87Å
90	T	87.4	Confident	85.9	Confident	24 Å²	24	94.1 Å²	94.1	15%	0.147	43%	0.427	C	S	.	.	H	α-helix	trans	-59.4	-40.2	175.7	-47.3	0	0	0	0	111.9	W38 A86 E87 Q92 L93 S94	W38-T90 PolarHBondContact NE1-OG1 2.85Å; A86-T90 PolarHBondContact O-N 2.86Å; A86-T90 PolarHBondContact O-OG1 3.38Å; E87-T90 PolarHBondContact O-N 2.97Å; T90-Q92 VanDerWaalsContact C-N 3.32Å; T90-Q92 PolarHBondContact O-N 2.94Å; T90-L93 WeakPolarHBondContact O-CB 3.25Å; T90-L93 PolarHBondContact O-N 3.19Å; T90-L93 VanDerWaalsContact O-N 3.14Å; T90-S94 PolarHBondContact O-N 3.05Å; T90-S94 PolarHBondContact O-OG 2.84Å
91	R	88	Confident	86.6	Confident	126 Å²	126	89.6 Å²	89.6	48%	0.475	41%	0.41	S	S	.	.	H	α-helix	trans	-63.2	-34.7	178.9	-174.4	172.4	71	111.7	-1.8	113	E87 I89 L93 S94 E95	E87-R91 WeakPolarHBondContact O-CB 3.46Å; E87-R91 PolarHBondContact O-N 2.88Å; I89-R91 VanDerWaalsContact C-N 3.29Å; I89-R91 PolarHBondContact O-N 3.15Å; R91-L93 PolarHBondContact O-N 3.39Å; R91-S94 PolarHBondContact O-N 2.8Å; R91-E95 VanDerWaalsContact CD-OE1 3.24Å; R91-E95 WeakPolarHBondContact CD-OE1 3.09Å; R91-E95 HydrophobicContact CG-CG 3.93Å; R91-E95 WeakPolarHBondContact CG-OE1 3.35Å; R91-E95 IonicContact CZ-OE1 3.53Å; R91-E95 IonicContact NE-OE1 3.68Å; R91-E95 IonicContact NH1-OE1 2.79Å; R91-E95 PolarHBondContact NH1-OE1 2.92Å; R91-E95 IonicContact NH1-OE2 3.87Å; R91-E95 WeakPolarHBondContact O-CB 3.32Å; R91-E95 WeakPolarHBondContact O-CG 3.35Å; R91-E95 PolarHBondContact O-N 2.82Å
92	Q	87.6	Confident	87	Confident	76 Å²	76	83.2 Å²	83.2	36%	0.355	39%	0.388	S	S	.	.	H	α-helix	trans	-62.5	-33.1	175.5	-71.4	173.4	-47.1	0	0	112.4	H88 I89 T90	H88-Q92 PolarHBondContact O-N 3.37Å; I89-Q92 WeakPolarHBondContact O-CB 3.26Å; I89-Q92 PolarHBondContact O-N 2.87Å; T90-Q92 VanDerWaalsContact C-N 3.32Å; T90-Q92 PolarHBondContact O-N 2.94Å
93	L	88.4	Confident	87.4	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-75.4	-42.3	172.5	-70.7	165.7	0	0	0	111.3	W38 V40 I52 L56 Y58 F73 T90 R91 E95 D96 V99 A102	W38-L93 HydrophobicContact CB-CD1 3.97Å; W38-L93 HydrophobicContact CG-CD1 3.97Å; V40-L93 HydrophobicContact CG2-CD1 3.94Å; I52-L93 HydrophobicContact CG2-CD2 4.33Å; L56-L93 HydrophobicContact CD1-CD2 3.86Å; Y58-L93 HydrophobicContact CD1-CD1 4.44Å; Y58-L93 HydrophobicContact CD2-CD2 4.14Å; Y58-L93 HydrophobicContact CD2-CG 4.5Å; Y58-L93 HydrophobicContact CE1-CD1 3.7Å; Y58-L93 HydrophobicContact CE1-CG 4.36Å; Y58-L93 HydrophobicContact CE2-CD1 4.03Å; Y58-L93 HydrophobicContact CE2-CD2 3.85Å; Y58-L93 HydrophobicContact CE2-CG 3.75Å; Y58-L93 VanDerWaalsContact CZ-CD1 3.45Å; Y58-L93 VanDerWaalsContact OH-CD1 3.31Å; Y58-L93 WeakPolarHBondContact OH-CD1 3.44Å; Y58-L93 WeakPolarHBondContact OH-CG 3.47Å; F73-L93 HydrophobicContact CD2-CD2 3.96Å; F73-L93 HydrophobicContact CE2-CD2 4.06Å; T90-L93 WeakPolarHBondContact O-CB 3.25Å; T90-L93 PolarHBondContact O-N 3.19Å; T90-L93 VanDerWaalsContact O-N 3.14Å; R91-L93 PolarHBondContact O-N 3.39Å; L93-E95 VanDerWaalsContact C-N 3.3Å; L93-E95 PolarHBondContact O-N 2.86Å; L93-D96 PolarHBondContact O-N 3.45Å; L93-V99 WeakPolarHBondContact O-CB 3.43Å; L93-V99 WeakPolarHBondContact O-CG1 3.22Å; L93-A102 HydrophobicContact CB-CB 3.62Å; L93-A102 HydrophobicContact CD1-CB 4.21Å
94	S	87.1	Confident	87.9	Confident	65 Å²	65	73 Å²	73	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-73.2	-16.3	-177.6	-53.3	0	0	0	0	115	T90 R91	T90-S94 PolarHBondContact O-N 3.05Å; T90-S94 PolarHBondContact O-OG 2.84Å; R91-S94 PolarHBondContact O-N 2.8Å
95	E	89.3	Confident	88.4	Confident	115 Å²	115	65.6 Å²	65.6	54%	0.537	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.5	175.5	-72.8	175.6	176	0	0	112.5	R91 L93	R91-E95 VanDerWaalsContact CD-OE1 3.24Å; R91-E95 WeakPolarHBondContact CD-OE1 3.09Å; R91-E95 HydrophobicContact CG-CG 3.93Å; R91-E95 WeakPolarHBondContact CG-OE1 3.35Å; R91-E95 IonicContact CZ-OE1 3.53Å; R91-E95 IonicContact NE-OE1 3.68Å; R91-E95 IonicContact NH1-OE1 2.79Å; R91-E95 PolarHBondContact NH1-OE1 2.92Å; R91-E95 IonicContact NH1-OE2 3.87Å; R91-E95 WeakPolarHBondContact O-CB 3.32Å; R91-E95 WeakPolarHBondContact O-CG 3.35Å; R91-E95 PolarHBondContact O-N 2.82Å; L93-E95 VanDerWaalsContact C-N 3.3Å; L93-E95 PolarHBondContact O-N 2.86Å
96	D	88.8	Confident	88.6	Confident	29 Å²	29	65.6 Å²	65.6	16%	0.155	32%	0.316	C	S	.	.	S	Bend	trans	-84.5	122.5	173.4	-168.5	-56	0	0	0	110.2	L56 L93 R98 V99	L56-D96 HydrophobicContact CD1-CB 4.45Å; L93-D96 PolarHBondContact O-N 3.45Å; D96-R98 PolarHBondContact O-N 3.35Å; D96-R98 VanDerWaalsContact OD1-CB 3.28Å; D96-R98 WeakPolarHBondContact OD1-CB 3.17Å; D96-R98 IonicContact OD1-CZ 3.4Å; D96-R98 PolarHBondContact OD1-N 3.07Å; D96-R98 IonicContact OD1-NE 3.69Å; D96-R98 PolarHBondContact OD1-NE 2.92Å; D96-R98 IonicContact OD1-NH2 2.72Å; D96-R98 IonicContact OD2-CZ 3.76Å; D96-R98 IonicContact OD2-NE 2.97Å; D96-R98 IonicContact OD2-NH2 3.66Å; D96-R98 PolarHBondContact OD2-NH2 3.02Å; D96-V99 HydrophobicContact CB-CB 4.46Å; D96-V99 HydrophobicContact CB-CG2 4.08Å; D96-V99 PolarHBondContact O-N 3.45Å
97	D	89.1	Confident	88.2	Confident	167 Å²	167	68 Å²	68	89%	0.893	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.3	-176.1	-65	-32.3	0	0	0	113.9
98	R	91.6	Very high	87.6	Confident	73 Å²	73	66.5 Å²	66.5	28%	0.275	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-11.5	177.8	-58.6	170	-69.7	-175	-1.9	113.2	E48 I52 E55 D96	E48-R98 VanDerWaalsContact OE1-CD 3.26Å; E48-R98 WeakPolarHBondContact OE1-CD 3.19Å; E48-R98 WeakPolarHBondContact OE1-CG 3.29Å; I52-R98 HydrophobicContact CD1-CB 3.65Å; I52-R98 VanDerWaalsContact CG1-CZ 3.41Å; E55-R98 IonicContact OE2-CZ 3.95Å; E55-R98 IonicContact OE2-NH1 2.64Å; E55-R98 PolarHBondContact OE2-NH1 2.89Å; E55-R98 IonicContact OE2-NH2 2.8Å; E55-R98 PolarHBondContact OE2-NH2 2.93Å; D96-R98 PolarHBondContact O-N 3.35Å; D96-R98 VanDerWaalsContact OD1-CB 3.28Å; D96-R98 WeakPolarHBondContact OD1-CB 3.17Å; D96-R98 IonicContact OD1-CZ 3.4Å; D96-R98 PolarHBondContact OD1-N 3.07Å; D96-R98 IonicContact OD1-NE 3.69Å; D96-R98 PolarHBondContact OD1-NE 2.92Å; D96-R98 IonicContact OD1-NH2 2.72Å; D96-R98 IonicContact OD2-CZ 3.76Å; D96-R98 IonicContact OD2-NE 2.97Å; D96-R98 IonicContact OD2-NH2 3.66Å; D96-R98 PolarHBondContact OD2-NH2 3.02Å
99	V	90	Very high	86.3	Confident	11 Å²	11	69.2 Å²	69.2	7%	0.067	32%	0.321	C	S	.	.			trans	-101.4	111.4	-179.1	174.7	0	0	0	0	108.9	V40 I42 I52 L93 D96 W101 A102	V40-V99 HydrophobicContact CG1-CB 4.32Å; V40-V99 HydrophobicContact CG1-CG1 3.41Å; V40-V99 VanDerWaalsContact CG1-CG1 3.41Å; V40-V99 HydrophobicContact CG1-CG2 3.99Å; I42-V99 HydrophobicContact CD1-CG2 4.46Å; I42-V99 HydrophobicContact CG1-CG2 4.23Å; I52-V99 HydrophobicContact CD1-CG2 4.24Å; I52-V99 HydrophobicContact CG2-CG2 4.08Å; L93-V99 WeakPolarHBondContact O-CB 3.43Å; L93-V99 WeakPolarHBondContact O-CG1 3.22Å; D96-V99 HydrophobicContact CB-CB 4.46Å; D96-V99 HydrophobicContact CB-CG2 4.08Å; D96-V99 PolarHBondContact O-N 3.45Å; V99-W101 WeakPolarHBondContact CG1-O 3.19Å; V99-A102 HydrophobicContact CG1-CB 4.11Å
100	L	88.6	Confident	84.9	Confident	114 Å²	114	78.2 Å²	78.2	60%	0.597	35%	0.354	S	S	*	.	S	Bend	trans	-74.4	-32.8	177.7	-69.5	-174.3	0	0	0	112.2	E41 P43	E41-L100 HydrophobicContact CB-CB 4.39Å; E41-L100 HydrophobicContact CG-CB 4.34Å; E41-L100 PolarHBondContact O-N 2.95Å; P43-L100 HydrophobicContact CG-CD1 3.27Å; P43-L100 HydrophobicContact CG-CD2 4.45Å; P43-L100 HydrophobicContact CG-CG 3.57Å
101	W	92.8	Very high	82.9	Confident	98 Å²	98	82.1 Å²	82.1	37%	0.371	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	140.3	-175.5	176	82.5	0	0	0	110.8	A39 V40 E41 L70 V99 E103	A39-W101 HydrophobicContact CB-CH2 3.99Å; A39-W101 HydrophobicContact CB-CZ3 3.67Å; V40-W101 CarbonylContact C-O 3.59Å; V40-W101 VanDerWaalsContact CA-O 3.29Å; V40-W101 WeakPolarHBondContact CA-O 3.22Å; E41-W101 HydrophobicContact CB-CB 4.01Å; E41-W101 HydrophobicContact CB-CE3 4.36Å; E41-W101 PolarHBondContact N-O 2.86Å; L70-W101 HydrophobicContact CD2-CZ3 4.25Å; V99-W101 WeakPolarHBondContact CG1-O 3.19Å; W101-E103 HydrophobicContact CH2-CB 3.59Å; W101-E103 HydrophobicContact CZ2-CB 3.28Å; W101-E103 HydrophobicContact CZ2-CG 4.19Å; W101-E103 WeakPolarHBondContact CZ2-OE2 3.15Å; W101-E103 HydrophobicContact CZ3-CB 4.39Å
102	A	90.6	Very high	80.7	Confident	11 Å²	11	84.1 Å²	84.1	9%	0.091	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	130.2	172.5	0	0	0	0	0	110.3	A39 V40 L93 V99	A39-A102 CarbonylContact O-C 3.58Å; A39-A102 WeakPolarHBondContact O-CA 3.47Å; V40-A102 HydrophobicContact CG1-CB 4.28Å; V40-A102 HydrophobicContact CG2-CB 4.45Å; L93-A102 HydrophobicContact CB-CB 3.62Å; L93-A102 HydrophobicContact CD1-CB 4.21Å; V99-A102 HydrophobicContact CG1-CB 4.11Å
103	E	90.4	Very high	78.8	Confident	69 Å²	69	92.9 Å²	92.9	32%	0.322	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.9	175.3	-171.7	-173.6	177.6	0	0	110.9	W38 A39 W101 Q105	W38-E103 CarbonylContact C-O 3.54Å; W38-E103 WeakPolarHBondContact CA-O 3.49Å; A39-E103 PolarHBondContact N-O 3.4Å; A39-E103 PolarHBondContact O-N 2.78Å; W101-E103 HydrophobicContact CH2-CB 3.59Å; W101-E103 HydrophobicContact CZ2-CB 3.28Å; W101-E103 HydrophobicContact CZ2-CG 4.19Å; W101-E103 WeakPolarHBondContact CZ2-OE2 3.15Å; W101-E103 HydrophobicContact CZ3-CB 4.39Å; E103-Q105 PolarHBondContact O-N 3.17Å; E103-Q105 PolarHBondContact O-NE2 3.37Å
104	Q	92.3	Very high	76.4	Confident	7 Å²	7	96 Å²	96	3%	0.033	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	126.8	170.3	-169.8	177.3	20.5	0	0	110.5	Y34 L35 W38 H78 S85	Y34-Q104 HydrophobicContact CD1-CB 4.48Å; Y34-Q104 HydrophobicContact CD1-CG 4.27Å; L35-Q104 PolarHBondContact O-NE2 3.33Å; W38-Q104 HydrophobicContact CD2-CG 4.3Å; W38-Q104 HydrophobicContact CG-CB 4.49Å; W38-Q104 HydrophobicContact CZ2-CB 4.42Å; W38-Q104 HydrophobicContact CZ2-CG 3.83Å; H78-Q104 PolarHBondContact CE1-NE2 2.98Å; H78-Q104 PolarHBondContact NE2-NE2 2.95Å; S85-Q104 VanDerWaalsContact CA-OE1 3.31Å
105	Q	91.2	Very high	74	Confident	49 Å²	49	97 Å²	97	23%	0.229	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	143.5	178.8	-58.6	-52.8	-70.7	0	0	110.7	L35 E37 A39 L72 E103	L35-Q105 PolarHBondContact N-O 2.85Å; E37-Q105 HydrophobicContact CB-CB 4.32Å; E37-Q105 HydrophobicContact CB-CG 4.35Å; E37-Q105 WeakPolarHBondContact O-CB 3.46Å; E37-Q105 PolarHBondContact O-N 2.81Å; A39-Q105 HydrophobicContact CB-CG 4.48Å; L72-Q105 HydrophobicContact CD1-CG 3.97Å; E103-Q105 PolarHBondContact O-N 3.17Å; E103-Q105 PolarHBondContact O-NE2 3.37Å
106	Y	87.6	Confident	71.9	Confident	46 Å²	46	98.5 Å²	98.5	18%	0.18	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	153.7	173.9	60.2	-87.8	0	0	0	110.1	R32 Q33 Y34 K108	R32-Y106 HydrophobicContact CB-CD2 4.17Å; R32-Y106 HydrophobicContact CB-CG 4.38Å; R32-Y106 HydrophobicContact CG-CD2 3.96Å; R32-Y106 HydrophobicContact CG-CE2 4.2Å; Q33-Y106 CarbonylContact O-C 3.49Å; Q33-Y106 VanDerWaalsContact O-CA 3.23Å; Q33-Y106 WeakPolarHBondContact O-CA 3.3Å; Q33-Y106 WeakPolarHBondContact O-CB 3.49Å; Y34-Y106 HydrophobicContact CD1-CD1 4.43Å; Y34-Y106 HydrophobicContact CE1-CD1 4.09Å; Y34-Y106 HydrophobicContact CE1-CG 4.38Å; Y106-K108 HydrophobicContact CD2-CG 4.27Å; Y106-K108 HydrophobicContact CE2-CG 3.85Å; Y106-K108 PolarHBondContact O-N 3.27Å
107	E	78.1	Confident	69.4	Low	64 Å²	64	107.7 Å²	107.7	30%	0.299	51%	0.506	S	S	.	.			trans	-60.2	110.7	177.4	-170.1	175.5	-135.9	0	0	109.6	Q33 R81 R109	Q33-E107 HydrophobicContact CB-CB 4.03Å; Q33-E107 PolarHBondContact O-N 3.45Å; Q33-E107 PolarHBondContact OE1-OE2 3.23Å; R81-E107 IonicContact CZ-OE1 3.61Å; R81-E107 IonicContact NH1-OE1 2.79Å; R81-E107 PolarHBondContact NH1-OE1 2.97Å; R81-E107 IonicContact NH1-OE2 3.29Å; R81-E107 PolarHBondContact NH1-OE2 2.91Å; R81-E107 IonicContact NH2-OE1 3.62Å; E107-R109 PolarHBondContact O-N 2.91Å
108	K	71.7	Confident	67	Low	113 Å²	113	107.7 Å²	107.7	49%	0.491	50%	0.5	S	S	.	.			trans	-87.5	102.5	171.4	-70.1	-178	179.9	174.7	0	108.4	Y106 R110	Y106-K108 HydrophobicContact CD2-CG 4.27Å; Y106-K108 HydrophobicContact CE2-CG 3.85Å; Y106-K108 PolarHBondContact O-N 3.27Å; K108-R110 PolarHBondContact O-N 3.37Å; K108-R110 VanDerWaalsContact O-N 3.13Å
109	R	56.5	Low	64.8	Low	172 Å²	172	107 Å²	107	65%	0.649	51%	0.506	S	S	*	.			trans	-68	107.7	169.1	-74.1	-174.7	179.3	158	4.5	109.3	D31 E107	D31-R109 IonicContact OD2-CZ 3.71Å; D31-R109 IonicContact OD2-NH1 2.72Å; D31-R109 PolarHBondContact OD2-NH1 3.17Å; E107-R109 PolarHBondContact O-N 2.91Å
110	R	55	Low	62.4	Low	213 Å²	213	117.7 Å²	117.7	80%	0.804	55%	0.545	S	S	*	.			trans	-106.7	109.2	172.7	-64	-177.1	-179.7	132.7	-4.6	108.2	K108	K108-R110 PolarHBondContact O-N 3.37Å; K108-R110 VanDerWaalsContact O-N 3.13Å
111	S	45.3	Very low	59.9	Low	106 Å²	106	119.8 Å²	119.8	74%	0.741	56%	0.557	S	S	*	*			trans	-80.2	144.6	162	48	0	0	0	0	108.6	R113	S111-R113 PolarHBondContact O-N 3.18Å
112	K	42.4	Very low	57.5	Low	169 Å²	169	118.6 Å²	118.6	74%	0.735	56%	0.563	S	S	*	*			trans	-53.9	131.8	167.3	-72.9	-176.3	176.9	-178.3	0	107.4	A114	K112-A114 VanDerWaalsContact CB-O 3.26Å; K112-A114 WeakPolarHBondContact CB-O 3.47Å; K112-A114 CarbonylContact O-C 3.57Å; K112-A114 PolarHBondContact O-N 3.11Å
113	R	49	Very low	55.2	Low	259 Å²	259	123 Å²	123	98%	0.977	59%	0.593	S	S	*	*	S	Bend	trans	-74.3	54.7	172.3	-77.8	-172.9	-103	-179.4	-4.8	110.2	S111	S111-R113 PolarHBondContact O-N 3.18Å
114	A	37.2	Very low	53.3	Low	66 Å²	66	122.9 Å²	122.9	55%	0.545	60%	0.597	S	S	.	*	S	Bend	trans	165.9	104	175.8	0	0	0	0	0	101.9	K112 L116	K112-A114 VanDerWaalsContact CB-O 3.26Å; K112-A114 WeakPolarHBondContact CB-O 3.47Å; K112-A114 CarbonylContact O-C 3.57Å; K112-A114 PolarHBondContact O-N 3.11Å; A114-L116 PolarHBondContact O-N 2.79Å; A114-L116 VanDerWaalsContact O-N 3.13Å
115	A	37.2	Very low	51.4	Low	87 Å²	87	128.3 Å²	128.3	72%	0.719	63%	0.626	S	S	*	*			trans	-54.9	121.7	145.5	0	0	0	0	0	103.8	R117	A115-R117 PolarHBondContact O-N 3.05Å
116	L	43.7	Very low	50.2	Low	145 Å²	145	131.4 Å²	131.4	76%	0.759	64%	0.639	S	S	*	*			trans	-47.6	104.3	146.1	-89.7	129.2	0	0	0	102.6	A114 E118	A114-L116 PolarHBondContact O-N 2.79Å; A114-L116 VanDerWaalsContact O-N 3.13Å; L116-E118 VanDerWaalsContact C-N 3.26Å; L116-E118 PolarHBondContact O-N 2.84Å
117	R	36.6	Very low	50.1	Low	223 Å²	223	132.4 Å²	132.4	84%	0.842	65%	0.647	S	S	*	*			trans	-51.5	115.3	157.2	-85.3	-177.6	167.6	-176.6	-3.6	101.3	A115 C119	A115-R117 PolarHBondContact O-N 3.05Å; R117-C119 PolarHBondContact O-N 2.88Å
118	E	39.3	Very low	50.7	Low	167 Å²	167	129.8 Å²	129.8	78%	0.78	63%	0.634	S	S	*	*			trans	-51.7	90.9	146.8	-79.4	-180	177	0	0	103.6	L116 R120	L116-E118 VanDerWaalsContact C-N 3.26Å; L116-E118 PolarHBondContact O-N 2.84Å; E118-R120 PolarHBondContact O-N 2.85Å
119	C	45.6	Very low	51.6	Low	58 Å²	58	128.5 Å²	128.5	39%	0.392	63%	0.633	S	S	.	*			trans	-74.6	84.8	172.9	-173.1	0	0	0	0	102	R117 D121 C122	R117-C119 PolarHBondContact O-N 2.88Å; C119-D121 PolarHBondContact O-N 2.76Å; C119-C122 HydrophobicContact CB-CB 3.45Å; C119-C122 VanDerWaalsContact CB-CB 3.45Å; C119-C122 WeakPolarHBondContact CB-SG 3.35Å; C119-C122 PolarHBondContact O-N 2.93Å; C119-C122 VanDerWaalsContact SG-CA 3.54Å; C119-C122 WeakPolarHBondContact SG-CB 3.48Å; C119-C122 PolarHBondContact SG-N 3.37Å; C119-C122 CovalentContact SG-SG 2.03Å; C119-C122 PolarHBondContact SG-SG 2.84Å
120	R	39.8	Very low	53.4	Low	235 Å²	235	120.4 Å²	120.4	89%	0.887	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	-7.5	176.5	-98.1	-177.9	172.9	-173.2	-4.4	112.9	E118	E118-R120 PolarHBondContact O-N 2.85Å
121	D	35.4	Very low	55.3	Low	158 Å²	158	114.1 Å²	114.1	85%	0.845	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.3	14.7	-179.2	-115.9	-7.3	0	0	0	113.2	C119 S123	C119-D121 PolarHBondContact O-N 2.76Å; D121-S123 PolarHBondContact O-N 3.31Å
122	C	43.1	Very low	57.6	Low	74 Å²	74	110 Å²	110	50%	0.5	56%	0.559	S	S	.	*			trans	-87.4	98.7	163.1	-69.8	0	0	0	0	105.5	C119 V124	C119-C122 HydrophobicContact CB-CB 3.45Å; C119-C122 VanDerWaalsContact CB-CB 3.45Å; C119-C122 WeakPolarHBondContact CB-SG 3.35Å; C119-C122 PolarHBondContact O-N 2.93Å; C119-C122 VanDerWaalsContact SG-CA 3.54Å; C119-C122 WeakPolarHBondContact SG-CB 3.48Å; C119-C122 PolarHBondContact SG-N 3.37Å; C119-C122 CovalentContact SG-SG 2.03Å; C119-C122 PolarHBondContact SG-SG 2.84Å; C122-V124 HydrophobicContact CB-CG2 4.45Å; C122-V124 PolarHBondContact O-N 3.45Å
123	S	41.5	Very low	60	Low	104 Å²	104	102 Å²	102	73%	0.727	52%	0.524	S	S	*	.			trans	-64.2	73.8	160.4	59.3	0	0	0	0	108.3	D121 D125	D121-S123 PolarHBondContact O-N 3.31Å; S123-D125 PolarHBondContact O-N 2.99Å; S123-D125 VanDerWaalsContact O-N 3.15Å
124	V	50	Low	61.9	Low	66 Å²	66	93.7 Å²	93.7	40%	0.4	50%	0.499	S	S	.	.			trans	-66.5	104.6	147.4	-168.3	0	0	0	0	101.5	C122 K126 T142	C122-V124 HydrophobicContact CB-CG2 4.45Å; C122-V124 PolarHBondContact O-N 3.45Å; V124-K126 PolarHBondContact O-N 3.28Å; V124-T142 HydrophobicContact CG1-CG2 4.26Å
125	D	54.3	Low	64.4	Low	120 Å²	120	93.6 Å²	93.6	64%	0.642	49%	0.487	S	S	*	.			trans	-48.2	108	178.1	-71.8	-37.6	0	0	0	106.8	S123 L127	S123-D125 PolarHBondContact O-N 2.99Å; S123-D125 VanDerWaalsContact O-N 3.15Å; D125-L127 PolarHBondContact O-N 3.44Å
126	K	65.9	Low	67.1	Low	115 Å²	115	89.6 Å²	89.6	50%	0.5	45%	0.453	S	S	.	.			trans	-73.4	83.1	176.3	-171	-173.2	-178.2	-146.7	0	104.5	V124 F128 D129	V124-K126 PolarHBondContact O-N 3.28Å; K126-F128 WeakPolarHBondContact CE-O 3.36Å; K126-F128 VanDerWaalsContact CG-O 3.3Å; K126-F128 WeakPolarHBondContact CG-O 3.48Å; K126-F128 PolarHBondContact O-N 3.03Å; K126-D129 WeakPolarHBondContact CE-OD1 3.32Å; K126-D129 PolarHBondContact NZ-O 3.01Å; K126-D129 VanDerWaalsContact NZ-O 3.13Å; K126-D129 IonicContact NZ-OD1 3.6Å; K126-D129 PolarHBondContact NZ-OD1 3.16Å
127	L	84.3	Confident	69.3	Low	66 Å²	66	83.1 Å²	83.1	35%	0.346	42%	0.419	S	S	.	.			trans	-61.9	-36.2	-172.9	-176.2	64	0	0	0	110.7	D125 W133 I156 W159	D125-L127 PolarHBondContact O-N 3.44Å; L127-W133 HydrophobicContact CB-CZ2 4.38Å; L127-W133 HydrophobicContact CD2-CZ2 4.33Å; L127-I156 HydrophobicContact CD2-CD1 3.77Å; L127-I156 HydrophobicContact CD2-CG2 4.21Å; L127-W159 HydrophobicContact CD2-CE3 3.95Å; L127-W159 HydrophobicContact CD2-CZ3 4.24Å
128	F	90.8	Very high	72.1	Confident	9 Å²	9	72.6 Å²	72.6	4%	0.039	38%	0.379	C	S	.	.			trans	-128.8	146.1	178.5	-61.2	-68.6	0	0	0	111.6	K126 D130 W133 W159 A227 D228 V234 Y238	K126-F128 WeakPolarHBondContact CE-O 3.36Å; K126-F128 VanDerWaalsContact CG-O 3.3Å; K126-F128 WeakPolarHBondContact CG-O 3.48Å; K126-F128 PolarHBondContact O-N 3.03Å; F128-D130 WeakPolarHBondContact CB-OD2 3.29Å; F128-D130 PolarHBondContact O-N 3.01Å; F128-W133 HydrophobicContact CB-CD2 4.27Å; F128-W133 HydrophobicContact CB-CG 4.24Å; F128-W133 AromaticContact CD2-CD2 3.83Å; F128-W133 HydrophobicContact CD2-CD2 3.83Å; F128-W133 AromaticContact CD2-CE2 3.92Å; F128-W133 AromaticContact CD2-CE3 3.72Å; F128-W133 HydrophobicContact CD2-CE3 3.72Å; F128-W133 HydrophobicContact CD2-CH2 4.01Å; F128-W133 HydrophobicContact CD2-CZ2 4.01Å; F128-W133 AromaticContact CD2-CZ3 3.82Å; F128-W133 HydrophobicContact CD2-CZ3 3.82Å; F128-W133 HydrophobicContact CE2-CE3 4.49Å; F128-W133 HydrophobicContact CE2-CH2 4.14Å; F128-W133 HydrophobicContact CE2-CZ2 4.38Å; F128-W133 HydrophobicContact CE2-CZ3 4.15Å; F128-W159 AromaticContact CE2-CE3 3.8Å; F128-W159 HydrophobicContact CE2-CE3 3.8Å; F128-W159 HydrophobicContact CE2-CH2 4.25Å; F128-W159 AromaticContact CE2-CZ3 3.53Å; F128-W159 HydrophobicContact CE2-CZ3 3.53Å; F128-W159 HydrophobicContact CZ-CE3 4.11Å; F128-W159 HydrophobicContact CZ-CZ3 4.23Å; F128-A227 HydrophobicContact CD1-CB 3.75Å; F128-A227 HydrophobicContact CE1-CB 3.56Å; F128-A227 HydrophobicContact CZ-CB 4.29Å; F128-D228 VanDerWaalsContact CA-OD1 3.24Å; F128-D228 WeakPolarHBondContact CA-OD1 3.46Å; F128-D228 WeakPolarHBondContact CD1-OD2 3.42Å; F128-V234 HydrophobicContact CB-CG2 3.84Å; F128-V234 HydrophobicContact CD1-CG2 4.23Å; F128-V234 HydrophobicContact CD2-CB 4.32Å; F128-V234 HydrophobicContact CD2-CG1 4.38Å; F128-V234 HydrophobicContact CD2-CG2 3.71Å; F128-V234 HydrophobicContact CE2-CB 4.49Å; F128-V234 HydrophobicContact CE2-CG1 4.12Å; F128-V234 HydrophobicContact CE2-CG2 4.28Å; F128-V234 HydrophobicContact CG-CG2 3.66Å; F128-V234 HydrophobicContact CZ-CG1 4.27Å; F128-Y238 HydrophobicContact CE1-CE1 4.49Å; F128-Y238 AromaticContact CZ-CE1 3.81Å; F128-Y238 HydrophobicContact CZ-CE1 3.81Å; F128-Y238 AromaticContact CZ-CZ 3.98Å
129	D	90.4	Very high	74.6	Confident	87 Å²	87	64.7 Å²	64.7	47%	0.465	34%	0.342	S	S	.	.			trans	-78.6	-9.2	-179	-88.5	-35.8	0	0	0	114.4	K126 D228	K126-D129 WeakPolarHBondContact CE-OD1 3.32Å; K126-D129 PolarHBondContact NZ-O 3.01Å; K126-D129 VanDerWaalsContact NZ-O 3.13Å; K126-D129 IonicContact NZ-OD1 3.6Å; K126-D129 PolarHBondContact NZ-OD1 3.16Å; D129-D228 PolarHBondContact N-OD1 3.23Å
130	D	95.2	Very high	76.7	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.011	33%	0.331	C	S	.	.			trans	-59.8	135.9	-174	-56.3	-64.4	0	0	0	113.5	F128 M132 W133 D228 N229 N230 V234	F128-D130 WeakPolarHBondContact CB-OD2 3.29Å; F128-D130 PolarHBondContact O-N 3.01Å; D130-M132 PolarHBondContact O-N 3.31Å; D130-M132 VanDerWaalsContact O-N 3.12Å; D130-W133 WeakPolarHBondContact O-CB 3.37Å; D130-W133 PolarHBondContact O-N 3.47Å; D130-W133 VanDerWaalsContact O-N 3.16Å; D130-D228 WeakPolarHBondContact OD2-CA 3.44Å; D130-D228 PolarHBondContact OD2-N 3.43Å; D130-N229 PolarHBondContact OD1-N 2.83Å; D130-N229 VanDerWaalsContact OD1-N 3.09Å; D130-N229 PolarHBondContact OD1-OD1 3.07Å; D130-N229 VanDerWaalsContact OD1-OD1 3.06Å; D130-N230 PolarHBondContact OD1-N 3.45Å; D130-V234 HydrophobicContact CB-CG2 4.33Å; D130-V234 WeakPolarHBondContact OD2-CG2 3.46Å
131	P	93.9	Very high	78.6	Confident	81 Å²	81	53.7 Å²	53.7	53%	0.526	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.1	-166.3	24.4	-34.2	0	0	0	113.9	C232	P131-C232 VanDerWaalsContact CD-O 3.32Å; P131-C232 WeakPolarHBondContact CD-O 3.25Å; P131-C232 WeakPolarHBondContact CG-O 3.23Å
132	M	93.7	Very high	80.2	Confident	19 Å²	19	49.3 Å²	49.3	9%	0.094	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	6.5	-178.1	-49.4	171.8	72.8	0	0	114	D130 N134 Q135 C232 T373 C381 T382 Q383	D130-M132 PolarHBondContact O-N 3.31Å; D130-M132 VanDerWaalsContact O-N 3.12Å; M132-N134 PolarHBondContact O-N 3.4Å; M132-Q135 WeakPolarHBondContact O-CB 3.49Å; M132-Q135 PolarHBondContact O-N 3.48Å; M132-Q135 PolarHBondContact O-OE1 3.49Å; M132-Q135 VanDerWaalsContact O-OE1 3.05Å; M132-C232 VanDerWaalsContact CA-O 3.3Å; M132-C232 WeakPolarHBondContact CA-O 3.39Å; M132-C232 WeakPolarHBondContact CB-O 3.26Å; M132-C232 VanDerWaalsContact CG-O 3.3Å; M132-C232 WeakPolarHBondContact CG-O 3.36Å; M132-C232 PolarHBondContact N-O 2.75Å; M132-C232 HydrophobicContact SD-CB 3.91Å; M132-T373 HydrophobicContact CB-CG2 3.75Å; M132-T373 HydrophobicContact CE-CG2 3.53Å; M132-T373 HydrophobicContact SD-CG2 4.22Å; M132-C381 HydrophobicContact CE-CB 3.9Å; M132-C381 HydrophobicContact SD-CB 3.18Å; M132-C381 WeakPolarHBondContact SD-CB 2.96Å; M132-T382 WeakPolarHBondContact CE-O 3.45Å; M132-Q383 HydrophobicContact CE-CB 4.47Å; M132-Q383 HydrophobicContact CE-CG 3.15Å
133	W	92.8	Very high	81.3	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.008	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-51.8	-44.5	179.1	174.1	-115.6	0	0	0	112.1	L127 F128 D130 Q135 Q136 L139 Q140 I156 W159 V234	L127-W133 HydrophobicContact CB-CZ2 4.38Å; L127-W133 HydrophobicContact CD2-CZ2 4.33Å; F128-W133 HydrophobicContact CB-CD2 4.27Å; F128-W133 HydrophobicContact CB-CG 4.24Å; F128-W133 AromaticContact CD2-CD2 3.83Å; F128-W133 HydrophobicContact CD2-CD2 3.83Å; F128-W133 AromaticContact CD2-CE2 3.92Å; F128-W133 AromaticContact CD2-CE3 3.72Å; F128-W133 HydrophobicContact CD2-CE3 3.72Å; F128-W133 HydrophobicContact CD2-CH2 4.01Å; F128-W133 HydrophobicContact CD2-CZ2 4.01Å; F128-W133 AromaticContact CD2-CZ3 3.82Å; F128-W133 HydrophobicContact CD2-CZ3 3.82Å; F128-W133 HydrophobicContact CE2-CE3 4.49Å; F128-W133 HydrophobicContact CE2-CH2 4.14Å; F128-W133 HydrophobicContact CE2-CZ2 4.38Å; F128-W133 HydrophobicContact CE2-CZ3 4.15Å; D130-W133 WeakPolarHBondContact O-CB 3.37Å; D130-W133 PolarHBondContact O-N 3.47Å; D130-W133 VanDerWaalsContact O-N 3.16Å; W133-Q135 PolarHBondContact O-N 2.97Å; W133-Q135 VanDerWaalsContact O-N 3.1Å; W133-Q136 PolarHBondContact O-N 2.99Å; W133-Q136 VanDerWaalsContact O-N 3.08Å; W133-L139 HydrophobicContact CH2-CB 3.95Å; W133-L139 HydrophobicContact CZ3-CB 4.11Å; W133-L139 HydrophobicContact CZ3-CD1 3.95Å; W133-Q140 VanDerWaalsContact CE2-OE1 3.27Å; W133-Q140 HydrophobicContact CH2-CB 4.25Å; W133-Q140 HydrophobicContact CZ2-CB 3.83Å; W133-I156 HydrophobicContact CH2-CD1 3.88Å; W133-I156 HydrophobicContact CZ2-CD1 3.94Å; W133-W159 AromaticContact CH2-CH2 3.85Å; W133-W159 HydrophobicContact CH2-CH2 3.85Å; W133-W159 AromaticContact CH2-CZ3 3.48Å; W133-W159 HydrophobicContact CH2-CZ3 3.48Å; W133-W159 VanDerWaalsContact CH2-CZ3 3.48Å; W133-W159 HydrophobicContact CZ2-CZ3 4.36Å; W133-W159 AromaticContact CZ3-CH2 3.99Å; W133-W159 HydrophobicContact CZ3-CH2 3.99Å; W133-W159 AromaticContact CZ3-CZ3 4Å; W133-W159 HydrophobicContact CZ3-CZ3 4Å; W133-V234 HydrophobicContact CE3-CB 4.06Å; W133-V234 HydrophobicContact CE3-CG2 3.92Å; W133-V234 HydrophobicContact CZ3-CB 4.09Å; W133-V234 HydrophobicContact CZ3-CG2 4.38Å
134	N	88.9	Confident	82.1	Confident	84 Å²	84	51.3 Å²	51.3	45%	0.449	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-69.8	-7.6	-179.1	-66.6	-44.4	0	0	0	114.4	M132	M132-N134 PolarHBondContact O-N 3.4Å
135	Q	90.2	Very high	82.4	Confident	64 Å²	64	50.7 Å²	50.7	30%	0.299	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-97.9	-7.8	175.9	-68.8	79.3	4.5	0	0	112.1	M132 W133 W137	M132-Q135 WeakPolarHBondContact O-CB 3.49Å; M132-Q135 PolarHBondContact O-N 3.48Å; M132-Q135 PolarHBondContact O-OE1 3.49Å; M132-Q135 VanDerWaalsContact O-OE1 3.05Å; W133-Q135 PolarHBondContact O-N 2.97Å; W133-Q135 VanDerWaalsContact O-N 3.1Å; Q135-W137 VanDerWaalsContact C-N 3.26Å; Q135-W137 PolarHBondContact O-N 3.01Å; Q135-W137 VanDerWaalsContact O-N 3.1Å
136	Q	93.6	Very high	82.5	Confident	2 Å²	2	51 Å²	51	1%	0.009	29%	0.285	C	S	.	.			trans	-88.2	61	177.6	-61.9	-176.3	-81.2	0	0	111.5	W133 Y138 L139 Q140 V234 T373	W133-Q136 PolarHBondContact O-N 2.99Å; W133-Q136 VanDerWaalsContact O-N 3.08Å; Q136-Y138 HydrophobicContact CB-CE1 4.38Å; Q136-Y138 HydrophobicContact CB-CE2 4.43Å; Q136-Y138 PolarHBondContact O-N 3.38Å; Q136-L139 HydrophobicContact CB-CB 4.39Å; Q136-L139 HydrophobicContact CB-CD1 4.01Å; Q136-L139 HydrophobicContact CB-CG 4.18Å; Q136-L139 HydrophobicContact CG-CD1 4.48Å; Q136-L139 PolarHBondContact O-N 3.22Å; Q136-Q140 PolarHBondContact O-N 3.25Å; Q136-V234 PolarHBondContact NE2-O 3.21Å; Q136-T373 HydrophobicContact CG-CG2 3.91Å
137	W	91	Very high	82	Confident	10 Å²	10	50.1 Å²	50.1	4%	0.038	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.5	-176.4	63.5	-88.1	0	0	0	114.1	Q135 L139 Q140 L151 Q343 Y362 Q370 R371	Q135-W137 VanDerWaalsContact C-N 3.26Å; Q135-W137 PolarHBondContact O-N 3.01Å; Q135-W137 VanDerWaalsContact O-N 3.1Å; W137-L139 VanDerWaalsContact C-N 3.31Å; W137-Q140 CarbonylContact O-C 3.47Å; W137-L151 HydrophobicContact CZ3-CB 4.5Å; W137-Q343 HydrophobicContact CD2-CG 4.3Å; W137-Q343 HydrophobicContact CE3-CB 4.39Å; W137-Q343 HydrophobicContact CE3-CG 4.12Å; W137-Q343 HydrophobicContact CH2-CB 3.71Å; W137-Q343 HydrophobicContact CH2-CG 4.33Å; W137-Q343 HydrophobicContact CZ2-CB 3.83Å; W137-Q343 HydrophobicContact CZ2-CG 4.5Å; W137-Q343 HydrophobicContact CZ3-CB 4.02Å; W137-Q343 HydrophobicContact CZ3-CG 4.15Å; W137-Y362 AromaticContact CH2-CD1 3.55Å; W137-Y362 HydrophobicContact CH2-CD1 3.55Å; W137-Y362 HydrophobicContact CH2-CD2 4.26Å; W137-Y362 HydrophobicContact CH2-CE1 4.3Å; W137-Y362 AromaticContact CH2-CG 3.53Å; W137-Y362 HydrophobicContact CH2-CG 3.53Å; W137-Y362 AromaticContact CZ3-CD1 3.7Å; W137-Y362 HydrophobicContact CZ3-CD1 3.7Å; W137-Y362 AromaticContact CZ3-CD2 3.91Å; W137-Y362 HydrophobicContact CZ3-CD2 3.91Å; W137-Y362 HydrophobicContact CZ3-CE1 4.06Å; W137-Y362 HydrophobicContact CZ3-CE2 4.25Å; W137-Y362 AromaticContact CZ3-CG 3.63Å; W137-Y362 HydrophobicContact CZ3-CG 3.63Å; W137-Q370 VanDerWaalsContact CD1-CB 3.44Å; W137-Q370 HydrophobicContact CG-CB 4.25Å; W137-R371 PolarHBondContact NE1-O 2.82Å
138	Y	93.6	Very high	80.6	Confident	1 Å²	1	51 Å²	51	0%	0.004	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-14	178.1	47.7	-87.8	0	0	0	113.5	Q136 D152 L153 I372 T373 L394	Q136-Y138 HydrophobicContact CB-CE1 4.38Å; Q136-Y138 HydrophobicContact CB-CE2 4.43Å; Q136-Y138 PolarHBondContact O-N 3.38Å; Y138-D152 CarbonylContact O-C 3.2Å; Y138-D152 WeakPolarHBondContact O-CA 3.35Å; Y138-L153 PolarHBondContact O-N 3.24Å; Y138-I372 HydrophobicContact CD1-CD1 3.52Å; Y138-I372 HydrophobicContact CE1-CD1 3.52Å; Y138-I372 HydrophobicContact CE1-CG2 4.47Å; Y138-I372 HydrophobicContact CE2-CD1 4.49Å; Y138-I372 HydrophobicContact CG-CD1 4.07Å; Y138-T373 PolarHBondContact OH-N 2.84Å; Y138-T373 PolarHBondContact OH-O 2.96Å; Y138-L394 HydrophobicContact CD2-CD1 4Å; Y138-L394 HydrophobicContact CD2-CD2 3.81Å; Y138-L394 HydrophobicContact CE2-CD1 4.38Å; Y138-L394 HydrophobicContact CE2-CD2 3.66Å; Y138-L394 HydrophobicContact CG-CD1 4.47Å
139	L	93.4	Very high	79.2	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-36.5	173.4	-55.4	-178.3	0	0	0	111.5	W133 Q136 W137 V155 W159 V234 V236	W133-L139 HydrophobicContact CH2-CB 3.95Å; W133-L139 HydrophobicContact CZ3-CB 4.11Å; W133-L139 HydrophobicContact CZ3-CD1 3.95Å; Q136-L139 HydrophobicContact CB-CB 4.39Å; Q136-L139 HydrophobicContact CB-CD1 4.01Å; Q136-L139 HydrophobicContact CB-CG 4.18Å; Q136-L139 HydrophobicContact CG-CD1 4.48Å; Q136-L139 PolarHBondContact O-N 3.22Å; W137-L139 VanDerWaalsContact C-N 3.31Å; L139-V155 HydrophobicContact CB-CG2 3.89Å; L139-V155 HydrophobicContact CD2-CG1 4.47Å; L139-V155 HydrophobicContact CD2-CG2 3.99Å; L139-V155 WeakPolarHBondContact O-CG2 3.43Å; L139-W159 HydrophobicContact CB-CH2 4.29Å; L139-W159 HydrophobicContact CD1-CH2 4.11Å; L139-V234 WeakPolarHBondContact CD1-O 3.42Å; L139-V236 HydrophobicContact CD2-CG2 3.67Å
140	Q	88.4	Confident	78.2	Confident	34 Å²	34	53.6 Å²	53.6	16%	0.159	31%	0.311	C	S	.	.			trans	-139.5	116.3	176	-176	179.3	11.1	0	0	110.5	W133 Q136 W137 T142 I156	W133-Q140 VanDerWaalsContact CE2-OE1 3.27Å; W133-Q140 HydrophobicContact CH2-CB 4.25Å; W133-Q140 HydrophobicContact CZ2-CB 3.83Å; Q136-Q140 PolarHBondContact O-N 3.25Å; W137-Q140 CarbonylContact O-C 3.47Å; Q140-T142 HydrophobicContact CG-CG2 4.32Å; Q140-T142 PolarHBondContact O-N 3.04Å; Q140-T142 VanDerWaalsContact O-N 3.16Å; Q140-I156 HydrophobicContact CB-CD1 4.32Å; Q140-I156 HydrophobicContact CB-CG1 4.44Å
141	D	80.3	Confident	77.3	Confident	29 Å²	29	54.2 Å²	54.2	16%	0.155	31%	0.314	C	S	.	.			trans	-75.1	106.3	169.8	-172.3	1.2	0	0	0	110.3	R143 K150 L151 D152	D141-R143 VanDerWaalsContact C-N 3.28Å; D141-R143 PolarHBondContact O-N 3.48Å; D141-R143 WeakPolarHBondContact OD1-CB 3.14Å; D141-R143 VanDerWaalsContact OD1-CG 3.25Å; D141-R143 WeakPolarHBondContact OD1-CG 3.3Å; D141-R143 IonicContact OD1-CZ 3.33Å; D141-R143 PolarHBondContact OD1-N 2.93Å; D141-R143 IonicContact OD1-NE 3.49Å; D141-R143 PolarHBondContact OD1-NE 3.26Å; D141-R143 IonicContact OD1-NH2 2.97Å; D141-R143 IonicContact OD2-CZ 3.75Å; D141-R143 IonicContact OD2-NE 3.68Å; D141-R143 PolarHBondContact OD2-NE 3.31Å; D141-R143 IonicContact OD2-NH2 2.54Å; D141-R143 PolarHBondContact OD2-NH2 2.95Å; D141-K150 VanDerWaalsContact OD2-CA 3.28Å; D141-K150 WeakPolarHBondContact OD2-CA 3.47Å; D141-L151 PolarHBondContact OD2-N 2.96Å; D141-D152 HydrophobicContact CB-CB 4.24Å; D141-D152 WeakPolarHBondContact CB-OD2 3.44Å; D141-D152 PolarHBondContact N-OD2 3.07Å
142	T	69.8	Low	76.9	Confident	66 Å²	66	50.9 Å²	50.9	41%	0.405	29%	0.292	S	S	.	.			trans	-85.9	4.3	179.1	66.7	0	0	0	0	113.2	V124 Q140	V124-T142 HydrophobicContact CG1-CG2 4.26Å; Q140-T142 HydrophobicContact CG-CG2 4.32Å; Q140-T142 PolarHBondContact O-N 3.04Å; Q140-T142 VanDerWaalsContact O-N 3.16Å
143	R	66.3	Low	77	Confident	93 Å²	93	50 Å²	50	35%	0.351	29%	0.288	S	S	.	.			trans	-75.9	134.1	178.8	-61	173	-59.8	151.1	16.6	109.6	D141 P149	D141-R143 VanDerWaalsContact C-N 3.28Å; D141-R143 PolarHBondContact O-N 3.48Å; D141-R143 WeakPolarHBondContact OD1-CB 3.14Å; D141-R143 VanDerWaalsContact OD1-CG 3.25Å; D141-R143 WeakPolarHBondContact OD1-CG 3.3Å; D141-R143 IonicContact OD1-CZ 3.33Å; D141-R143 PolarHBondContact OD1-N 2.93Å; D141-R143 IonicContact OD1-NE 3.49Å; D141-R143 PolarHBondContact OD1-NE 3.26Å; D141-R143 IonicContact OD1-NH2 2.97Å; D141-R143 IonicContact OD2-CZ 3.75Å; D141-R143 IonicContact OD2-NE 3.68Å; D141-R143 PolarHBondContact OD2-NE 3.31Å; D141-R143 IonicContact OD2-NH2 2.54Å; D141-R143 PolarHBondContact OD2-NH2 2.95Å; R143-P149 PolarHBondContact NH2-O 2.76Å
144	S	56.5	Low	76.9	Confident	127 Å²	127	51.1 Å²	51.1	89%	0.888	29%	0.293	S	S	*	.			trans	-94.5	4.9	-174.6	53.1	0	0	0	0	114.6	S146	S144-S146 PolarHBondContact O-N 3.32Å
145	S	58.2	Low	77.3	Confident	52 Å²	52	47.1 Å²	47.1	36%	0.364	27%	0.272	S	S	.	.			trans	-82.8	103.4	-179.1	-167.4	0	0	0	0	110.4	S147 L148	S145-S147 PolarHBondContact O-N 2.8Å; S145-S147 PolarHBondContact OG-OG 3.21Å; S145-L148 PolarHBondContact O-N 2.67Å
146	S	56	Low	77.4	Confident	126 Å²	126	45.5 Å²	45.5	88%	0.881	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-10.9	178.5	61.8	0	0	0	0	114.6	S144	S144-S146 PolarHBondContact O-N 3.32Å
147	S	54.8	Low	77.4	Confident	98 Å²	98	47.1 Å²	47.1	69%	0.685	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-8.9	175.9	58	0	0	0	0	114.2	S145	S145-S147 PolarHBondContact O-N 2.8Å; S145-S147 PolarHBondContact OG-OG 3.21Å
148	L	55	Low	77.7	Confident	85 Å²	85	46.7 Å²	46.7	45%	0.445	27%	0.274	S	S	.	.	S	Bend	trans	-99.1	142.5	176.9	-65.3	178.7	0	0	0	109.5	S145 K150	S145-L148 PolarHBondContact O-N 2.67Å; L148-K150 PolarHBondContact O-N 2.65Å
149	P	61.3	Low	77.8	Confident	53 Å²	53	47.4 Å²	47.4	34%	0.344	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-56.1	139.7	168.9	-25.4	34.6	0	0	0	111.7	R143 L151 N618	R143-P149 PolarHBondContact NH2-O 2.76Å; P149-L151 PolarHBondContact O-N 2.93Å; P149-N618 VanDerWaalsContact CA-CG 3.48Å; P149-N618 WeakPolarHBondContact CA-ND2 3.44Å; P149-N618 WeakPolarHBondContact CA-OD1 3.13Å; P149-N618 VanDerWaalsContact CB-ND2 3.26Å; P149-N618 WeakPolarHBondContact CB-ND2 3.25Å
150	K	69.6	Low	77.9	Confident	97 Å²	97	54.5 Å²	54.5	42%	0.422	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-54.7	137	165.5	-74.8	-168.8	175.1	-170.3	0	108.6	D141 L148 Y617 N618	D141-K150 VanDerWaalsContact OD2-CA 3.28Å; D141-K150 WeakPolarHBondContact OD2-CA 3.47Å; L148-K150 PolarHBondContact O-N 2.65Å; K150-Y617 HydrophobicContact CB-CD1 4.42Å; K150-Y617 HydrophobicContact CB-CE1 4.08Å; K150-Y617 WeakPolarHBondContact O-CE1 3.35Å; K150-N618 PolarHBondContact N-OD1 2.76Å
151	L	76.2	Confident	78.1	Confident	14 Å²	14	58.4 Å²	58.4	7%	0.073	33%	0.326	C	S	.	.			trans	-120	51	178.5	-66	170.1	0	0	0	110.4	W137 D141 P149 Q343 Y362	W137-L151 HydrophobicContact CZ3-CB 4.5Å; D141-L151 PolarHBondContact OD2-N 2.96Å; P149-L151 PolarHBondContact O-N 2.93Å; L151-Q343 WeakPolarHBondContact CD1-O 3.33Å; L151-Y362 WeakPolarHBondContact CA-OH 3.39Å; L151-Y362 HydrophobicContact CD2-CE1 4.47Å; L151-Y362 VanDerWaalsContact CD2-OH 3.25Å; L151-Y362 WeakPolarHBondContact CD2-OH 3.09Å
152	D	86.5	Confident	78.9	Confident	11 Å²	11	59.4 Å²	59.4	6%	0.059	34%	0.344	C	S	.	.	S	Bend	trans	-128.3	166.6	171.6	63.6	43.7	0	0	0	110.7	Y138 D141 H154 Y617	Y138-D152 CarbonylContact O-C 3.2Å; Y138-D152 WeakPolarHBondContact O-CA 3.35Å; D141-D152 HydrophobicContact CB-CB 4.24Å; D141-D152 WeakPolarHBondContact CB-OD2 3.44Å; D141-D152 PolarHBondContact N-OD2 3.07Å; D152-H154 PolarHBondContact O-N 3.22Å; D152-H154 PolarHBondContact O-ND1 3.29Å; D152-H154 WeakPolarHBondContact OD1-CA 3.38Å; D152-H154 IonicContact OD1-CE1 4Å; D152-H154 IonicContact OD1-CG 3.35Å; D152-H154 PolarHBondContact OD1-N 3.27Å; D152-H154 IonicContact OD1-ND1 3.49Å; D152-H154 PolarHBondContact OD1-ND1 2.79Å; D152-Y617 PolarHBondContact O-OH 3.05Å
153	L	94.1	Very high	80.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.327	C	S	.	.			trans	-84.8	14.2	-179.1	-64.7	166.2	0	0	0	113	Y138 V155 A361 Y362 L394 I398 L450 L451 A453	Y138-L153 PolarHBondContact O-N 3.24Å; L153-V155 VanDerWaalsContact C-N 3.3Å; L153-V155 HydrophobicContact CB-CG1 4.18Å; L153-V155 PolarHBondContact O-N 3.36Å; L153-A361 HydrophobicContact CD2-CB 4.47Å; L153-Y362 HydrophobicContact CD2-CD2 3.91Å; L153-Y362 HydrophobicContact CD2-CE2 4.26Å; L153-Y362 HydrophobicContact CG-CD2 3.9Å; L153-Y362 HydrophobicContact CG-CE2 4.39Å; L153-L394 HydrophobicContact CD1-CB 4.2Å; L153-L394 HydrophobicContact CD1-CD1 4.2Å; L153-I398 HydrophobicContact CB-CD1 4.03Å; L153-I398 HydrophobicContact CD1-CD1 4.12Å; L153-I398 HydrophobicContact CD2-CD1 4.39Å; L153-I398 HydrophobicContact CG-CD1 4.4Å; L153-L450 HydrophobicContact CD2-CD1 4.15Å; L153-L450 HydrophobicContact CD2-CG 4.21Å; L153-L451 HydrophobicContact CD2-CB 4.43Å; L153-A453 VanDerWaalsContact O-CB 3.31Å; L153-A453 WeakPolarHBondContact O-CB 3.46Å; L153-A453 PolarHBondContact O-N 2.82Å
154	H	92.4	Very high	81.8	Confident	27 Å²	27	52.9 Å²	52.9	13%	0.125	31%	0.313	C	S	.	.	S	Bend	trans	54.2	39.5	-179.8	-74.6	68.1	0	0	0	114.5	D152 P157 N452 K454 Y617	D152-H154 PolarHBondContact O-N 3.22Å; D152-H154 PolarHBondContact O-ND1 3.29Å; D152-H154 WeakPolarHBondContact OD1-CA 3.38Å; D152-H154 IonicContact OD1-CE1 4Å; D152-H154 IonicContact OD1-CG 3.35Å; D152-H154 PolarHBondContact OD1-N 3.27Å; D152-H154 IonicContact OD1-ND1 3.49Å; D152-H154 PolarHBondContact OD1-ND1 2.79Å; H154-P157 WeakPolarHBondContact O-CD 3.28Å; H154-N452 WeakPolarHBondContact CB-OD1 3.44Å; H154-K454 HydrophobicContact CB-CB 4.33Å; H154-K454 PolarHBondContact O-N 3.28Å; H154-Y617 AromaticContact CE1-CE1 3.28Å; H154-Y617 WeakPolarHBondContact CE1-CE1 3.36Å; H154-Y617 AromaticContact CE1-CE2 3.66Å; H154-Y617 AromaticContact CE1-CZ 3.1Å; H154-Y617 PolarHBondContact CE1-OH 2.93Å; H154-Y617 VanDerWaalsContact CE1-OH 3.22Å; H154-Y617 AromaticContact ND1-CE1 3.82Å; H154-Y617 AromaticContact ND1-CE2 3.72Å; H154-Y617 AromaticContact ND1-CZ 3.18Å; H154-Y617 PolarHBondContact ND1-OH 3.3Å
155	V	95.7	Very high	83.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.271	C	S	.	.			trans	-79.9	-31.9	-179.8	-63.7	0	0	0	0	113.2	L139 L153 V158 W159 V236 I398 A453	L139-V155 HydrophobicContact CB-CG2 3.89Å; L139-V155 HydrophobicContact CD2-CG1 4.47Å; L139-V155 HydrophobicContact CD2-CG2 3.99Å; L139-V155 WeakPolarHBondContact O-CG2 3.43Å; L153-V155 VanDerWaalsContact C-N 3.3Å; L153-V155 HydrophobicContact CB-CG1 4.18Å; L153-V155 PolarHBondContact O-N 3.36Å; V155-V158 WeakPolarHBondContact O-CA 3.33Å; V155-V158 VanDerWaalsContact O-CB 3.28Å; V155-V158 WeakPolarHBondContact O-CB 3.17Å; V155-V158 PolarHBondContact O-N 3.5Å; V155-W159 HydrophobicContact CB-CH2 4.46Å; V155-W159 HydrophobicContact CB-CZ2 4.07Å; V155-W159 HydrophobicContact CG2-CE3 4.45Å; V155-W159 HydrophobicContact CG2-CH2 3.71Å; V155-W159 HydrophobicContact CG2-CZ2 3.8Å; V155-W159 HydrophobicContact CG2-CZ3 4.03Å; V155-W159 PolarHBondContact O-N 3.03Å; V155-V236 HydrophobicContact CG1-CG1 4.22Å; V155-I398 HydrophobicContact CG1-CG1 4.49Å; V155-A453 HydrophobicContact CB-CB 4.43Å; V155-A453 HydrophobicContact CG1-CB 3.69Å
156	I	93.5	Very high	85.7	Confident	29 Å²	29	51.4 Å²	51.4	15%	0.149	28%	0.284	C	S	.	.	H	α-helix	trans	-55.1	-46.7	-176.1	-52.2	-55.2	0	0	0	113.2	L127 W133 Q140 V158 W159 Q160	L127-I156 HydrophobicContact CD2-CD1 3.77Å; L127-I156 HydrophobicContact CD2-CG2 4.21Å; W133-I156 HydrophobicContact CH2-CD1 3.88Å; W133-I156 HydrophobicContact CZ2-CD1 3.94Å; Q140-I156 HydrophobicContact CB-CD1 4.32Å; Q140-I156 HydrophobicContact CB-CG1 4.44Å; I156-V158 PolarHBondContact O-N 3.04Å; I156-W159 HydrophobicContact CD1-CE3 3.51Å; I156-W159 HydrophobicContact CD1-CH2 4.37Å; I156-W159 HydrophobicContact CD1-CZ3 3.31Å; I156-W159 PolarHBondContact O-N 3.14Å; I156-Q160 HydrophobicContact CG2-CG 4.4Å; I156-Q160 WeakPolarHBondContact O-CG 3.18Å; I156-Q160 PolarHBondContact O-N 3.09Å
157	P	92.9	Very high	87.7	Confident	37 Å²	37	48.6 Å²	48.6	24%	0.24	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-22.8	178.1	-22.9	36.1	0	0	0	114	H154 K161 K454	H154-P157 WeakPolarHBondContact O-CD 3.28Å; P157-K161 WeakPolarHBondContact O-CG 3.4Å; P157-K454 HydrophobicContact CB-CB 4.4Å; P157-K454 HydrophobicContact CB-CD 3.74Å; P157-K454 HydrophobicContact CB-CG 4.08Å; P157-K454 HydrophobicContact CG-CD 4.09Å
158	V	96.8	Very high	89.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-75	-47.7	175.6	179.2	0	0	0	0	110	V155 I156 Q160 K161 I163 L401 A453 K454 V457	V155-V158 WeakPolarHBondContact O-CA 3.33Å; V155-V158 VanDerWaalsContact O-CB 3.28Å; V155-V158 WeakPolarHBondContact O-CB 3.17Å; V155-V158 PolarHBondContact O-N 3.5Å; I156-V158 PolarHBondContact O-N 3.04Å; V158-Q160 VanDerWaalsContact C-N 3.26Å; V158-Q160 PolarHBondContact O-N 2.79Å; V158-K161 WeakPolarHBondContact O-CA 3.44Å; V158-K161 VanDerWaalsContact O-CB 3.3Å; V158-K161 WeakPolarHBondContact O-CB 3.42Å; V158-K161 PolarHBondContact O-N 3.13Å; V158-I163 HydrophobicContact CG1-CB 3.71Å; V158-I163 HydrophobicContact CG1-CD1 4.48Å; V158-I163 HydrophobicContact CG1-CG2 3.76Å; V158-I163 PolarHBondContact O-N 3.34Å; V158-L401 HydrophobicContact CB-CD1 4.42Å; V158-L401 HydrophobicContact CG1-CB 4.13Å; V158-L401 HydrophobicContact CG1-CD1 3.95Å; V158-L401 HydrophobicContact CG1-CG 4.45Å; V158-A453 HydrophobicContact CG2-CB 4.19Å; V158-K454 HydrophobicContact CG2-CB 4.2Å; V158-V457 HydrophobicContact CG1-CB 4.4Å; V158-V457 HydrophobicContact CG1-CG1 4.22Å; V158-V457 HydrophobicContact CG1-CG2 3.93Å; V158-V457 HydrophobicContact CG2-CB 4.22Å; V158-V457 HydrophobicContact CG2-CG2 4.13Å
159	W	96.6	Very high	91.9	Very high	16 Å²	16	40.7 Å²	40.7	6%	0.061	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-34.3	176.3	-58.2	-27.3	0	0	0	112.5	L127 F128 W133 L139 V155 I156 K161 G162 I163 V236 Y238	L127-W159 HydrophobicContact CD2-CE3 3.95Å; L127-W159 HydrophobicContact CD2-CZ3 4.24Å; F128-W159 AromaticContact CE2-CE3 3.8Å; F128-W159 HydrophobicContact CE2-CE3 3.8Å; F128-W159 HydrophobicContact CE2-CH2 4.25Å; F128-W159 AromaticContact CE2-CZ3 3.53Å; F128-W159 HydrophobicContact CE2-CZ3 3.53Å; F128-W159 HydrophobicContact CZ-CE3 4.11Å; F128-W159 HydrophobicContact CZ-CZ3 4.23Å; W133-W159 AromaticContact CH2-CH2 3.85Å; W133-W159 HydrophobicContact CH2-CH2 3.85Å; W133-W159 AromaticContact CH2-CZ3 3.48Å; W133-W159 HydrophobicContact CH2-CZ3 3.48Å; W133-W159 VanDerWaalsContact CH2-CZ3 3.48Å; W133-W159 HydrophobicContact CZ2-CZ3 4.36Å; W133-W159 AromaticContact CZ3-CH2 3.99Å; W133-W159 HydrophobicContact CZ3-CH2 3.99Å; W133-W159 AromaticContact CZ3-CZ3 4Å; W133-W159 HydrophobicContact CZ3-CZ3 4Å; L139-W159 HydrophobicContact CB-CH2 4.29Å; L139-W159 HydrophobicContact CD1-CH2 4.11Å; V155-W159 HydrophobicContact CB-CH2 4.46Å; V155-W159 HydrophobicContact CB-CZ2 4.07Å; V155-W159 HydrophobicContact CG2-CE3 4.45Å; V155-W159 HydrophobicContact CG2-CH2 3.71Å; V155-W159 HydrophobicContact CG2-CZ2 3.8Å; V155-W159 HydrophobicContact CG2-CZ3 4.03Å; V155-W159 PolarHBondContact O-N 3.03Å; I156-W159 HydrophobicContact CD1-CE3 3.51Å; I156-W159 HydrophobicContact CD1-CH2 4.37Å; I156-W159 HydrophobicContact CD1-CZ3 3.31Å; I156-W159 PolarHBondContact O-N 3.14Å; W159-K161 PolarHBondContact O-N 3.25Å; W159-G162 WeakPolarHBondContact O-CA 3.36Å; W159-G162 PolarHBondContact O-N 3.2Å; W159-I163 WeakPolarHBondContact CA-O 3.43Å; W159-V236 WeakPolarHBondContact CZ2-O 3.26Å; W159-V236 PolarHBondContact NE1-O 3.44Å; W159-Y238 AromaticContact CD1-CE1 3.76Å; W159-Y238 AromaticContact CD2-CE1 3.77Å; W159-Y238 HydrophobicContact CD2-CE1 3.77Å; W159-Y238 AromaticContact CE2-CE1 3.63Å; W159-Y238 HydrophobicContact CE3-CE1 4.4Å; W159-Y238 AromaticContact CG-CE1 3.85Å; W159-Y238 HydrophobicContact CG-CE1 3.85Å; W159-Y238 HydrophobicContact CZ2-CD1 4.14Å; W159-Y238 HydrophobicContact CZ2-CE1 4.15Å; W159-Y238 AromaticContact NE1-CE1 3.64Å
160	Q	94.4	Very high	93.7	Very high	150 Å²	150	38.2 Å²	38.2	70%	0.701	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.8	172.6	-73.5	176.2	-12.5	0	0	113.6	I156 V158 G162	I156-Q160 HydrophobicContact CG2-CG 4.4Å; I156-Q160 WeakPolarHBondContact O-CG 3.18Å; I156-Q160 PolarHBondContact O-N 3.09Å; V158-Q160 VanDerWaalsContact C-N 3.26Å; V158-Q160 PolarHBondContact O-N 2.79Å; Q160-G162 VanDerWaalsContact C-N 3.3Å
161	K	94.1	Very high	95.1	Very high	117 Å²	117	33.6 Å²	33.6	51%	0.509	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-3.5	170.8	-64.5	175.5	173.8	-162.5	0	113.2	P157 V158 W159 I163 D458	P157-K161 WeakPolarHBondContact O-CG 3.4Å; V158-K161 WeakPolarHBondContact O-CA 3.44Å; V158-K161 VanDerWaalsContact O-CB 3.3Å; V158-K161 WeakPolarHBondContact O-CB 3.42Å; V158-K161 PolarHBondContact O-N 3.13Å; W159-K161 PolarHBondContact O-N 3.25Å; K161-I163 HydrophobicContact CB-CD1 4.13Å; K161-I163 HydrophobicContact CB-CG1 4.35Å; K161-I163 HydrophobicContact CD-CD1 4.43Å; K161-D458 IonicContact NZ-OD1 3.69Å; K161-D458 PolarHBondContact NZ-OD1 2.9Å; K161-D458 IonicContact NZ-OD2 3.54Å
162	G	95.8	Very high	96.1	Very high	50 Å²	50	33.1 Å²	33.1	52%	0.515	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	8.2	-175.9	0	0	0	0	0	114.6	W159 Q160	W159-G162 WeakPolarHBondContact O-CA 3.36Å; W159-G162 PolarHBondContact O-N 3.2Å; Q160-G162 VanDerWaalsContact C-N 3.3Å
163	I	98.4	Very high	96.7	Very high	12 Å²	12	32.6 Å²	32.6	6%	0.062	19%	0.185	C	C	.	.			trans	-90.5	120.7	178.1	-59.7	164.5	0	0	0	107.7	V158 W159 K161 L401 E404 Q405 V457	V158-I163 HydrophobicContact CG1-CB 3.71Å; V158-I163 HydrophobicContact CG1-CD1 4.48Å; V158-I163 HydrophobicContact CG1-CG2 3.76Å; V158-I163 PolarHBondContact O-N 3.34Å; W159-I163 WeakPolarHBondContact CA-O 3.43Å; K161-I163 HydrophobicContact CB-CD1 4.13Å; K161-I163 HydrophobicContact CB-CG1 4.35Å; K161-I163 HydrophobicContact CD-CD1 4.43Å; I163-L401 HydrophobicContact CG2-CB 4.11Å; I163-L401 HydrophobicContact CG2-CD2 4.42Å; I163-L401 VanDerWaalsContact CG2-O 3.29Å; I163-L401 WeakPolarHBondContact CG2-O 3.47Å; I163-E404 HydrophobicContact CG2-CB 4.16Å; I163-E404 HydrophobicContact CG2-CG 4.24Å; I163-E404 WeakPolarHBondContact CG2-OE2 3.49Å; I163-Q405 HydrophobicContact CD1-CB 4.32Å; I163-V457 HydrophobicContact CD1-CG1 3.55Å
164	T	98.4	Very high	96.9	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.055	19%	0.186	C	C	.	.	S	Bend	trans	-141.7	9.3	-166.4	55.1	0	0	0	0	113.5	A237 Y238 N239 L401 E404	T164-A237 CarbonylContact O-C 3.51Å; T164-A237 VanDerWaalsContact O-CA 3.25Å; T164-A237 WeakPolarHBondContact O-CA 3.5Å; T164-Y238 HydrophobicContact CG2-CE1 4.03Å; T164-Y238 HydrophobicContact CG2-CE2 3.64Å; T164-Y238 WeakPolarHBondContact CG2-OH 3.44Å; T164-Y238 PolarHBondContact O-N 2.96Å; T164-N239 WeakPolarHBondContact CB-ND2 3.38Å; T164-N239 PolarHBondContact O-N 3.29Å; T164-N239 WeakPolarHBondContact OG1-CB 3.39Å; T164-N239 PolarHBondContact OG1-ND2 2.86Å; T164-L401 VanDerWaalsContact C-CD2 3.46Å; T164-E404 PolarHBondContact N-OE2 3.23Å
165	G	98.6	Very high	97.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.182	C	C	.	.			trans	90.6	9.4	-175.3	0	0	0	0	0	114.5	G167 V168 S240 L401 E404	G165-G167 PolarHBondContact O-N 3.17Å; G165-V168 PolarHBondContact O-N 3.39Å; G165-S240 VanDerWaalsContact CA-OG 3.27Å; G165-S240 WeakPolarHBondContact CA-OG 3.35Å; G165-S240 VanDerWaalsContact O-CA 3.27Å; G165-S240 WeakPolarHBondContact O-CA 3.25Å; G165-S240 PolarHBondContact O-OG 2.57Å; G165-S240 VanDerWaalsContact O-OG 3.08Å; G165-L401 VanDerWaalsContact N-CD2 3.34Å; G165-E404 WeakPolarHBondContact CA-OE2 3.48Å; G165-E404 PolarHBondContact N-OE2 3.12Å
166	K	98.5	Very high	97.2	Very high	148 Å²	148	32 Å²	32	64%	0.643	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	129.4	-170.6	-174.7	-178.9	176.2	-179.9	0	111.3	V168 N239 E404	K166-V168 VanDerWaalsContact C-N 3.3Å; K166-N239 HydrophobicContact CB-CB 4.22Å; K166-E404 WeakPolarHBondContact CB-OE1 3.44Å; K166-E404 VanDerWaalsContact N-CD 3.34Å; K166-E404 PolarHBondContact N-OE2 3.15Å
167	G	97.9	Very high	97.4	Very high	67 Å²	67	30.7 Å²	30.7	69%	0.691	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.9	1.4	177.3	0	0	0	0	0	114.5	G165	G165-G167 PolarHBondContact O-N 3.17Å
168	V	98.8	Very high	97.7	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.03	17%	0.165	C	C	.	.			trans	-98.2	139.2	172.6	-175.4	0	0	0	0	109.6	G165 K166 I170 K241 D269 I270 A400 L403 E404	G165-V168 PolarHBondContact O-N 3.39Å; K166-V168 VanDerWaalsContact C-N 3.3Å; V168-I170 HydrophobicContact CG1-CD1 4.07Å; V168-I170 HydrophobicContact CG1-CG1 4.44Å; V168-K241 PolarHBondContact O-N 2.91Å; V168-D269 HydrophobicContact CG1-CB 3.88Å; V168-I270 HydrophobicContact CG1-CD1 4.11Å; V168-A400 HydrophobicContact CB-CB 4.15Å; V168-A400 HydrophobicContact CG1-CB 3.86Å; V168-A400 WeakPolarHBondContact CG2-O 3.38Å; V168-L403 HydrophobicContact CG1-CB 4.31Å; V168-L403 HydrophobicContact CG1-CD1 4.04Å; V168-L403 HydrophobicContact CG2-CB 3.76Å; V168-E404 HydrophobicContact CG2-CB 4.37Å
169	V	98.9	Very high	97.7	Very high	13 Å²	13	32.2 Å²	32.2	8%	0.079	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.9	179.7	-175.5	0	0	0	0	110.1	A192 K241 H267 V268 D269 I270	V169-A192 HydrophobicContact CG1-CB 3.55Å; V169-K241 HydrophobicContact CB-CB 4.48Å; V169-K241 HydrophobicContact CG1-CB 4.37Å; V169-K241 HydrophobicContact CG2-CB 4.1Å; V169-H267 WeakPolarHBondContact CB-O 3.16Å; V169-V268 HydrophobicContact CG1-CG2 4.41Å; V169-D269 PolarHBondContact N-OD2 2.59Å; V169-D269 WeakPolarHBondContact O-CB 3.46Å; V169-D269 PolarHBondContact O-N 3.14Å; V169-I270 PolarHBondContact O-N 3.41Å
170	I	98.9	Very high	97.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140.6	179	-54.1	93.5	0	0	0	109.1	V168 I223 K241 V242 G243 I270 A396 A400	V168-I170 HydrophobicContact CG1-CD1 4.07Å; V168-I170 HydrophobicContact CG1-CG1 4.44Å; I170-I223 HydrophobicContact CB-CG2 4.24Å; I170-I223 HydrophobicContact CD1-CG2 4.05Å; I170-I223 HydrophobicContact CG1-CG2 4.22Å; I170-I223 HydrophobicContact CG2-CD1 4Å; I170-I223 HydrophobicContact CG2-CG2 4.31Å; I170-K241 PolarHBondContact N-O 2.81Å; I170-V242 CarbonylContact O-C 3.6Å; I170-V242 VanDerWaalsContact O-CA 3.28Å; I170-V242 WeakPolarHBondContact O-CA 3.18Å; I170-G243 PolarHBondContact O-N 3.41Å; I170-I270 CarbonylContact C-O 3.57Å; I170-I270 VanDerWaalsContact CA-O 3.3Å; I170-I270 WeakPolarHBondContact CA-O 3.29Å; I170-I270 HydrophobicContact CB-CB 4.41Å; I170-I270 HydrophobicContact CG1-CB 3.93Å; I170-I270 HydrophobicContact CG1-CD1 4.09Å; I170-I270 HydrophobicContact CG1-CG1 4.44Å; I170-I270 HydrophobicContact CG2-CB 4.11Å; I170-I270 HydrophobicContact CG2-CG2 4.18Å; I170-A396 HydrophobicContact CG2-CB 4.5Å; I170-A400 HydrophobicContact CD1-CB 3.77Å; I170-A400 HydrophobicContact CG1-CB 4.3Å
171	T	98.8	Very high	98	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.8	169.8	-162.6	0	0	0	0	110.9	L173 A192 G243 I245 V268 I270 Y271 S272	T171-L173 HydrophobicContact CG2-CD2 3.79Å; T171-A192 WeakPolarHBondContact CB-O 3.49Å; T171-A192 PolarHBondContact OG1-O 3.37Å; T171-G243 WeakPolarHBondContact CA-O 3.26Å; T171-I245 HydrophobicContact CG2-CG1 4.46Å; T171-V268 HydrophobicContact CG2-CG1 3.68Å; T171-V268 HydrophobicContact CG2-CG2 4.48Å; T171-I270 PolarHBondContact N-O 3.08Å; T171-Y271 HydrophobicContact CG2-CD1 3.35Å; T171-Y271 HydrophobicContact CG2-CE1 3.77Å; T171-Y271 HydrophobicContact CG2-CG 4.02Å; T171-S272 PolarHBondContact O-N 2.83Å
172	V	98.8	Very high	98.2	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.024	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	114.3	176	176.6	0	0	0	0	108.6	D174 C219 A220 I223 V242 G243 G244 I245	V172-D174 HydrophobicContact CG1-CB 3.82Å; V172-D174 PolarHBondContact O-N 3.16Å; V172-C219 HydrophobicContact CG1-CB 3.89Å; V172-C219 HydrophobicContact CG2-CB 4.49Å; V172-A220 HydrophobicContact CG2-CB 4.14Å; V172-I223 HydrophobicContact CG2-CD1 3.73Å; V172-V242 HydrophobicContact CG2-CG2 4.29Å; V172-G243 PolarHBondContact N-O 3.19Å; V172-G244 WeakPolarHBondContact O-CA 3.43Å; V172-I245 PolarHBondContact O-N 3.01Å
173	L	98.5	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	97.8	179.1	-52.5	-174.7	0	0	0	109.3	T171 I245 I261 Y271 S272 A273 W275 W312	T171-L173 HydrophobicContact CG2-CD2 3.79Å; L173-I245 HydrophobicContact CD2-CB 3.59Å; L173-I245 HydrophobicContact CD2-CG1 3.38Å; L173-I245 HydrophobicContact CD2-CG2 4.27Å; L173-I261 HydrophobicContact CD1-CG1 4.36Å; L173-Y271 HydrophobicContact CD1-CD1 4.25Å; L173-Y271 HydrophobicContact CD2-CD1 4.23Å; L173-S272 PolarHBondContact N-O 2.81Å; L173-A273 HydrophobicContact CB-CB 4.19Å; L173-A273 HydrophobicContact CD1-CB 4.42Å; L173-W275 HydrophobicContact CD1-CZ2 4.43Å; L173-W275 PolarHBondContact O-NE1 3.27Å; L173-W312 HydrophobicContact CD1-CH2 4.38Å
174	D	98.2	Very high	98.3	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	-149.1	-166.3	-147.6	-85.3	0	0	0	114	V172 G176 H215 G216 I245 M247 L248	V172-D174 HydrophobicContact CG1-CB 3.82Å; V172-D174 PolarHBondContact O-N 3.16Å; D174-G176 VanDerWaalsContact C-N 3.3Å; D174-H215 WeakPolarHBondContact OD1-CB 3.01Å; D174-H215 IonicContact OD1-CG 3.28Å; D174-H215 IonicContact OD1-ND1 2.84Å; D174-H215 PolarHBondContact OD1-ND1 3.02Å; D174-H215 IonicContact OD2-CE1 3.73Å; D174-H215 PolarHBondContact OD2-CE1 2.96Å; D174-H215 VanDerWaalsContact OD2-CE1 3.29Å; D174-H215 IonicContact OD2-CG 3.71Å; D174-H215 IonicContact OD2-ND1 3.86Å; D174-H215 PolarHBondContact OD2-ND1 3.13Å; D174-G216 PolarHBondContact OD1-N 2.93Å; D174-I245 PolarHBondContact N-O 3.34Å; D174-I245 VanDerWaalsContact O-O 3.07Å; D174-M247 PolarHBondContact O-N 3.18Å; D174-L248 HydrophobicContact CB-CD1 4.48Å; D174-L248 PolarHBondContact O-N 3.05Å
175	D	96.7	Very high	98.3	Very high	10 Å²	10	29.1 Å²	29.1	5%	0.053	15%	0.153	C	C	.	.	S	Bend	trans	-84	2.7	-179.8	63.8	13.1	0	0	0	114.8	N213 K214 H215 G216 L248	D175-N213 HydrophobicContact CB-CB 4.16Å; D175-N213 VanDerWaalsContact CG-CA 3.48Å; D175-N213 WeakPolarHBondContact OD2-CA 3.42Å; D175-K214 PolarHBondContact OD2-N 2.99Å; D175-K214 VanDerWaalsContact OD2-N 3.12Å; D175-H215 PolarHBondContact OD1-N 3.05Å; D175-H215 WeakPolarHBondContact OD2-CA 3.41Å; D175-H215 WeakPolarHBondContact OD2-CB 3.45Å; D175-H215 PolarHBondContact OD2-N 3.4Å; D175-G216 PolarHBondContact OD1-N 3.22Å; D175-L248 HydrophobicContact CB-CB 4.31Å
176	G	97.1	Very high	98.2	Very high	3 Å²	3	31.4 Å²	31.4	3%	0.031	17%	0.173	C	C	.	.			trans	122.6	175.6	179.5	0	0	0	0	0	113.2	D174 P203 G216 T217	D174-G176 VanDerWaalsContact C-N 3.3Å; G176-P203 CarbonylContact C-O 3.56Å; G176-P203 WeakPolarHBondContact CA-O 3.34Å; G176-G216 CarbonylContact O-C 3.52Å; G176-G216 VanDerWaalsContact O-CA 3.3Å; G176-G216 WeakPolarHBondContact O-CA 3.06Å; G176-T217 PolarHBondContact O-N 2.97Å
177	L	98.4	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.			trans	-139.3	119	-178.3	-171.9	163.6	0	0	0	109.4	W179 I184 Y188 P203 P205 A220 V242 G243	L177-W179 HydrophobicContact CD2-CB 3.71Å; L177-W179 PolarHBondContact O-N 3.1Å; L177-I184 HydrophobicContact CD2-CG2 4.14Å; L177-Y188 HydrophobicContact CD2-CD2 4.12Å; L177-Y188 HydrophobicContact CD2-CE2 4.44Å; L177-P203 PolarHBondContact N-O 3.35Å; L177-P205 VanDerWaalsContact C-CD 3.46Å; L177-A220 HydrophobicContact CD1-CB 3.54Å; L177-A220 HydrophobicContact CG-CB 3.96Å; L177-V242 HydrophobicContact CD1-CG2 4.21Å; L177-G243 VanDerWaalsContact CD1-C 3.43Å; L177-G243 WeakPolarHBondContact CD1-O 3.36Å
178	E	98.6	Very high	98.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.			trans	-71.4	78.2	173.9	-172.3	178.8	-81.7	0	0	109.7	N180 H181 F204 P205 Y207 T217 L377 H378 N379	E178-N180 VanDerWaalsContact CG-OD1 3.3Å; E178-N180 WeakPolarHBondContact CG-OD1 3.48Å; E178-N180 PolarHBondContact O-N 2.96Å; E178-N180 VanDerWaalsContact O-N 3.12Å; E178-H181 HydrophobicContact CB-CB 4.49Å; E178-H181 HydrophobicContact CG-CB 4.28Å; E178-H181 WeakPolarHBondContact O-CB 3.37Å; E178-H181 PolarHBondContact O-N 3.24Å; E178-H181 IonicContact OE2-CD2 3.33Å; E178-H181 PolarHBondContact OE2-CD2 3.1Å; E178-H181 IonicContact OE2-CG 2.66Å; E178-F204 HydrophobicContact CG-CE2 3.82Å; E178-F204 HydrophobicContact CG-CZ 3.96Å; E178-P205 HydrophobicContact CB-CG 4.04Å; E178-Y207 VanDerWaalsContact CD-OH 3.31Å; E178-Y207 WeakPolarHBondContact OE1-CE1 3.27Å; E178-Y207 VanDerWaalsContact OE1-CZ 3.28Å; E178-Y207 PolarHBondContact OE1-OH 2.88Å; E178-T217 HydrophobicContact CB-CG2 3.84Å; E178-T217 WeakPolarHBondContact CB-OG1 3.1Å; E178-T217 PolarHBondContact N-OG1 2.95Å; E178-L377 HydrophobicContact CB-CD2 4.33Å; E178-L377 WeakPolarHBondContact OE1-CA 3.27Å; E178-H378 PolarHBondContact OE1-N 2.85Å; E178-N379 VanDerWaalsContact OE2-CA 3.24Å; E178-N379 WeakPolarHBondContact OE2-CA 3.39Å; E178-N379 PolarHBondContact OE2-N 3.19Å
179	W	98.1	Very high	98.3	Very high	70 Å²	70	24.1 Å²	24.1	27%	0.265	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.4	-169.9	55.8	-102.1	0	0	0	113.5	L177 H181 Y185 Y188 D202 F204	L177-W179 HydrophobicContact CD2-CB 3.71Å; L177-W179 PolarHBondContact O-N 3.1Å; W179-H181 VanDerWaalsContact C-N 3.33Å; W179-Y185 HydrophobicContact CE3-CD2 4.29Å; W179-Y185 HydrophobicContact CE3-CE2 4.42Å; W179-Y185 HydrophobicContact CZ3-CD2 4.41Å; W179-Y185 HydrophobicContact CZ3-CE2 4.19Å; W179-Y185 WeakPolarHBondContact O-CA 3.41Å; W179-Y188 HydrophobicContact CB-CD1 3.7Å; W179-Y188 HydrophobicContact CB-CD2 3.31Å; W179-Y188 HydrophobicContact CB-CE1 3.75Å; W179-Y188 HydrophobicContact CB-CE2 3.37Å; W179-Y188 HydrophobicContact CB-CG 3.48Å; W179-Y188 VanDerWaalsContact CB-CG 3.48Å; W179-Y188 HydrophobicContact CD2-CD1 4.49Å; W179-Y188 HydrophobicContact CD2-CE1 4.19Å; W179-Y188 HydrophobicContact CE3-CD1 4.41Å; W179-Y188 HydrophobicContact CE3-CE1 4.44Å; W179-Y188 HydrophobicContact CG-CD1 4.23Å; W179-Y188 HydrophobicContact CG-CD2 4.39Å; W179-Y188 AromaticContact CG-CE1 3.9Å; W179-Y188 HydrophobicContact CG-CE1 3.9Å; W179-Y188 HydrophobicContact CG-CE2 4.08Å; W179-Y188 HydrophobicContact CG-CG 4.46Å; W179-Y188 AromaticContact CG-CZ 3.81Å; W179-D202 PolarHBondContact NE1-OD1 2.98Å; W179-F204 AromaticContact CD1-CD2 3.96Å; W179-F204 AromaticContact NE1-CD2 3.64Å
180	N	98.1	Very high	98.3	Very high	71 Å²	71	27.5 Å²	27.5	38%	0.38	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	1.8	175.2	74.2	-2.4	0	0	0	113.4	E178 T182 F204	E178-N180 VanDerWaalsContact CG-OD1 3.3Å; E178-N180 WeakPolarHBondContact CG-OD1 3.48Å; E178-N180 PolarHBondContact O-N 2.96Å; E178-N180 VanDerWaalsContact O-N 3.12Å; N180-T182 PolarHBondContact O-N 2.61Å; N180-F204 WeakPolarHBondContact OD1-CE2 3.46Å
181	H	98.6	Very high	98.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.			trans	-53.7	126.1	171.6	-174.1	-77.9	0	0	0	108.5	E178 W179 D183 I184 Y185 A375 D376 N379 D380	E178-H181 HydrophobicContact CB-CB 4.49Å; E178-H181 HydrophobicContact CG-CB 4.28Å; E178-H181 WeakPolarHBondContact O-CB 3.37Å; E178-H181 PolarHBondContact O-N 3.24Å; E178-H181 IonicContact OE2-CD2 3.33Å; E178-H181 PolarHBondContact OE2-CD2 3.1Å; E178-H181 IonicContact OE2-CG 2.66Å; W179-H181 VanDerWaalsContact C-N 3.33Å; H181-D183 WeakPolarHBondContact CE1-CB 3.46Å; H181-D183 WeakPolarHBondContact ND1-CB 3.35Å; H181-D183 PolarHBondContact ND1-N 2.78Å; H181-D183 VanDerWaalsContact ND1-N 3.11Å; H181-D183 PolarHBondContact O-N 3.23Å; H181-I184 HydrophobicContact CB-CB 4.19Å; H181-I184 HydrophobicContact CB-CD1 4.18Å; H181-I184 HydrophobicContact CB-CG1 4.31Å; H181-I184 PolarHBondContact O-N 3.42Å; H181-Y185 WeakPolarHBondContact O-CB 3.38Å; H181-Y185 PolarHBondContact O-N 3.34Å; H181-A375 VanDerWaalsContact CE1-CB 3.49Å; H181-A375 WeakPolarHBondContact CE1-CB 3.38Å; H181-D376 PolarHBondContact CD2-O 3.12Å; H181-D376 VanDerWaalsContact CD2-O 3.25Å; H181-N379 VanDerWaalsContact CD2-CA 3.47Å; H181-N379 WeakPolarHBondContact CD2-CA 3.36Å; H181-D380 PolarHBondContact NE2-O 2.89Å
182	T	97.9	Very high	98.2	Very high	70 Å²	70	29.5 Å²	29.5	43%	0.429	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.4	-172.1	46.3	0	0	0	0	113.2	N180 Q226 K231 N379	N180-T182 PolarHBondContact O-N 2.61Å; T182-Q226 PolarHBondContact O-NE2 3.1Å; T182-K231 WeakPolarHBondContact OG1-CD 3.43Å; T182-K231 VanDerWaalsContact OG1-CE 3.27Å; T182-K231 WeakPolarHBondContact OG1-CE 3.43Å; T182-N379 WeakPolarHBondContact CB-OD1 3.28Å; T182-N379 WeakPolarHBondContact CG2-ND2 3.49Å; T182-N379 PolarHBondContact N-OD1 3.1Å; T182-N379 PolarHBondContact OG1-ND2 3.03Å; T182-N379 PolarHBondContact OG1-OD1 2.86Å
183	D	98	Very high	98.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-18.1	176.2	-142.6	0.6	0	0	0	114.5	H181 M225 Q226 N229 K231 C232	H181-D183 WeakPolarHBondContact CE1-CB 3.46Å; H181-D183 WeakPolarHBondContact ND1-CB 3.35Å; H181-D183 PolarHBondContact ND1-N 2.78Å; H181-D183 VanDerWaalsContact ND1-N 3.11Å; H181-D183 PolarHBondContact O-N 3.23Å; D183-M225 HydrophobicContact CB-CB 4.13Å; D183-M225 CarbonylContact O-C 3.58Å; D183-M225 WeakPolarHBondContact O-CA 3.38Å; D183-Q226 WeakPolarHBondContact O-CG 3.33Å; D183-Q226 PolarHBondContact O-N 2.91Å; D183-Q226 PolarHBondContact O-NE2 2.97Å; D183-Q226 PolarHBondContact OD1-N 3.21Å; D183-N229 PolarHBondContact OD1-ND2 2.9Å; D183-N229 PolarHBondContact OD1-OD1 2.86Å; D183-K231 HydrophobicContact CB-CB 4.24Å; D183-K231 HydrophobicContact CB-CG 3.68Å; D183-C232 VanDerWaalsContact OD2-CB 3.23Å; D183-C232 WeakPolarHBondContact OD2-CB 3.27Å
184	I	98.5	Very high	98.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-29.9	-177.1	-63.1	173.2	0	0	0	111.7	L177 H181 A186 N187 Y188 T217 A220 V242 A375	L177-I184 HydrophobicContact CD2-CG2 4.14Å; H181-I184 HydrophobicContact CB-CB 4.19Å; H181-I184 HydrophobicContact CB-CD1 4.18Å; H181-I184 HydrophobicContact CB-CG1 4.31Å; H181-I184 PolarHBondContact O-N 3.42Å; I184-A186 VanDerWaalsContact C-N 3.28Å; I184-A186 PolarHBondContact O-N 3.19Å; I184-N187 CarbonylContact O-C 3.59Å; I184-N187 WeakPolarHBondContact O-CA 3.29Å; I184-N187 PolarHBondContact O-N 3.4Å; I184-Y188 PolarHBondContact O-N 2.86Å; I184-T217 HydrophobicContact CD1-CG2 4.25Å; I184-A220 HydrophobicContact CD1-CB 4.22Å; I184-V242 HydrophobicContact CG2-CG1 3.83Å; I184-A375 HydrophobicContact CD1-CB 3.89Å; I184-A375 HydrophobicContact CG1-CB 4.41Å
185	Y	97.9	Very high	98.2	Very high	147 Å²	147	31.9 Å²	31.9	58%	0.576	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-39.6	-167.9	177.2	-101.2	0	0	0	115.5	W179 H181 N187	W179-Y185 HydrophobicContact CE3-CD2 4.29Å; W179-Y185 HydrophobicContact CE3-CE2 4.42Å; W179-Y185 HydrophobicContact CZ3-CD2 4.41Å; W179-Y185 HydrophobicContact CZ3-CE2 4.19Å; W179-Y185 WeakPolarHBondContact O-CA 3.41Å; H181-Y185 WeakPolarHBondContact O-CB 3.38Å; H181-Y185 PolarHBondContact O-N 3.34Å; Y185-N187 VanDerWaalsContact C-N 3.29Å; Y185-N187 PolarHBondContact O-N 3.23Å
186	A	97.8	Very high	98	Very high	49 Å²	49	33.2 Å²	33.2	41%	0.405	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-26.4	179	0	0	0	0	0	113.3	I184 Q226 K241	I184-A186 VanDerWaalsContact C-N 3.28Å; I184-A186 PolarHBondContact O-N 3.19Å; A186-Q226 VanDerWaalsContact CB-CD 3.43Å; A186-Q226 HydrophobicContact CB-CG 4.15Å; A186-Q226 VanDerWaalsContact CB-OE1 3.28Å; A186-K241 PolarHBondContact O-NZ 3.22Å
187	N	98.7	Very high	97.6	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.064	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-11.2	-179.7	-70.8	-18	0	0	0	113	I184 Y185 D189 A224 Y238 S240 K241 V242	I184-N187 CarbonylContact O-C 3.59Å; I184-N187 WeakPolarHBondContact O-CA 3.29Å; I184-N187 PolarHBondContact O-N 3.4Å; Y185-N187 VanDerWaalsContact C-N 3.29Å; Y185-N187 PolarHBondContact O-N 3.23Å; N187-D189 PolarHBondContact O-N 2.87Å; N187-A224 HydrophobicContact CB-CB 4.36Å; N187-A224 PolarHBondContact ND2-O 2.85Å; N187-Y238 PolarHBondContact ND2-O 2.92Å; N187-S240 WeakPolarHBondContact CB-O 3.43Å; N187-K241 CarbonylContact O-C 3.48Å; N187-K241 VanDerWaalsContact O-CA 3.32Å; N187-K241 WeakPolarHBondContact O-CA 3.3Å; N187-K241 WeakPolarHBondContact O-CD 3.5Å; N187-V242 HydrophobicContact CB-CG1 4.48Å; N187-V242 PolarHBondContact O-N 2.92Å
188	Y	98.8	Very high	97.3	Very high	35 Å²	35	39.6 Å²	39.6	14%	0.137	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-56.7	138.2	175.2	175.8	-118.5	0	0	0	112.2	L177 W179 I184 P190 S193 P203 V242	L177-Y188 HydrophobicContact CD2-CD2 4.12Å; L177-Y188 HydrophobicContact CD2-CE2 4.44Å; W179-Y188 HydrophobicContact CB-CD1 3.7Å; W179-Y188 HydrophobicContact CB-CD2 3.31Å; W179-Y188 HydrophobicContact CB-CE1 3.75Å; W179-Y188 HydrophobicContact CB-CE2 3.37Å; W179-Y188 HydrophobicContact CB-CG 3.48Å; W179-Y188 VanDerWaalsContact CB-CG 3.48Å; W179-Y188 HydrophobicContact CD2-CD1 4.49Å; W179-Y188 HydrophobicContact CD2-CE1 4.19Å; W179-Y188 HydrophobicContact CE3-CD1 4.41Å; W179-Y188 HydrophobicContact CE3-CE1 4.44Å; W179-Y188 HydrophobicContact CG-CD1 4.23Å; W179-Y188 HydrophobicContact CG-CD2 4.39Å; W179-Y188 AromaticContact CG-CE1 3.9Å; W179-Y188 HydrophobicContact CG-CE1 3.9Å; W179-Y188 HydrophobicContact CG-CE2 4.08Å; W179-Y188 HydrophobicContact CG-CG 4.46Å; W179-Y188 AromaticContact CG-CZ 3.81Å; I184-Y188 PolarHBondContact O-N 2.86Å; Y188-P190 HydrophobicContact CE1-CB 3.97Å; Y188-P190 HydrophobicContact CE1-CG 4.45Å; Y188-S193 WeakPolarHBondContact CE2-OG 3.42Å; Y188-P203 HydrophobicContact CE2-CG 4.3Å; Y188-P203 WeakPolarHBondContact OH-CD 3.48Å; Y188-V242 CarbonylContact C-O 3.59Å; Y188-V242 VanDerWaalsContact CA-O 3.3Å; Y188-V242 WeakPolarHBondContact CA-O 3.22Å
189	D	98.8	Very high	96.9	Very high	20 Å²	20	45 Å²	45	11%	0.107	24%	0.237	C	C	.	.			trans	-127.8	109.4	174.7	-172.4	-6.6	0	0	0	111.9	N187 A191 A192 S193 K241 V242 H267	N187-D189 PolarHBondContact O-N 2.87Å; D189-A191 VanDerWaalsContact C-N 3.25Å; D189-A191 PolarHBondContact O-N 2.69Å; D189-A191 WeakPolarHBondContact OD1-CB 3.34Å; D189-A191 PolarHBondContact OD1-N 3.17Å; D189-A192 HydrophobicContact CB-CB 4.15Å; D189-A192 PolarHBondContact O-N 3.32Å; D189-S193 PolarHBondContact O-OG 2.92Å; D189-K241 HydrophobicContact CB-CB 3.93Å; D189-K241 HydrophobicContact CB-CG 4.48Å; D189-V242 PolarHBondContact N-O 2.9Å; D189-H267 IonicContact OD1-NE2 3.93Å; D189-H267 IonicContact OD2-CD2 2.7Å; D189-H267 IonicContact OD2-CE1 2.92Å; D189-H267 PolarHBondContact OD2-CE1 3.16Å; D189-H267 IonicContact OD2-NE2 3.64Å; D189-H267 PolarHBondContact OD2-NE2 2.82Å
190	P	98.5	Very high	96.9	Very high	84 Å²	84	44.5 Å²	44.5	55%	0.545	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-67.4	-23.7	177.8	27.9	-34.5	0	0	0	113.1	Y188 A192 S193	Y188-P190 HydrophobicContact CE1-CB 3.97Å; Y188-P190 HydrophobicContact CE1-CG 4.45Å; P190-A192 PolarHBondContact O-N 3Å; P190-S193 PolarHBondContact O-N 2.71Å
191	A	98.4	Very high	96.8	Very high	41 Å²	41	45.4 Å²	45.4	34%	0.339	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-75.9	-13.8	177.2	0	0	0	0	0	112.7	D189 F263 N264	D189-A191 VanDerWaalsContact C-N 3.25Å; D189-A191 PolarHBondContact O-N 2.69Å; D189-A191 WeakPolarHBondContact OD1-CB 3.34Å; D189-A191 PolarHBondContact OD1-N 3.17Å; A191-F263 WeakPolarHBondContact O-CE1 3.32Å; A191-N264 PolarHBondContact O-ND2 2.92Å
192	A	98.5	Very high	96.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-100.1	13.7	171.4	0	0	0	0	0	112.6	V169 T171 D189 P190 G243 V268	V169-A192 HydrophobicContact CG1-CB 3.55Å; T171-A192 WeakPolarHBondContact CB-O 3.49Å; T171-A192 PolarHBondContact OG1-O 3.37Å; D189-A192 HydrophobicContact CB-CB 4.15Å; D189-A192 PolarHBondContact O-N 3.32Å; P190-A192 PolarHBondContact O-N 3Å; A192-G243 WeakPolarHBondContact O-CA 3.29Å; A192-V268 HydrophobicContact CB-CG2 3.87Å
193	S	98.8	Very high	96.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.014	25%	0.246	C	C	.	.			trans	-132.7	146.6	-170.1	-57.3	0	0	0	0	113.4	Y188 D189 P190 G243 G244 F263	Y188-S193 WeakPolarHBondContact CE2-OG 3.42Å; D189-S193 PolarHBondContact O-OG 2.92Å; P190-S193 PolarHBondContact O-N 2.71Å; S193-G243 WeakPolarHBondContact OG-CA 3.48Å; S193-G244 WeakPolarHBondContact CA-O 3.31Å; S193-G244 WeakPolarHBondContact CB-O 3.33Å; S193-G244 PolarHBondContact OG-N 2.88Å; S193-F263 WeakPolarHBondContact O-CZ 3.03Å
194	Y	98.5	Very high	96.8	Very high	54 Å²	54	47.5 Å²	47.5	21%	0.212	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	154.9	176.6	-159.2	-98	0	0	0	110.8	F196 N199 P201 G244 I245 R246 F263	Y194-F196 AromaticContact CD1-CD1 3.72Å; Y194-F196 HydrophobicContact CD1-CD1 3.72Å; Y194-F196 HydrophobicContact CD1-CD2 4.04Å; Y194-F196 AromaticContact CD1-CE1 3.63Å; Y194-F196 HydrophobicContact CD1-CE1 3.63Å; Y194-F196 AromaticContact CD1-CE2 3.95Å; Y194-F196 HydrophobicContact CD1-CE2 3.95Å; Y194-F196 AromaticContact CD1-CG 3.93Å; Y194-F196 HydrophobicContact CD1-CG 3.93Å; Y194-F196 AromaticContact CD1-CZ 3.75Å; Y194-F196 HydrophobicContact CD1-CZ 3.75Å; Y194-F196 AromaticContact CE1-CD1 3.78Å; Y194-F196 HydrophobicContact CE1-CD1 3.78Å; Y194-F196 AromaticContact CE1-CE1 3.77Å; Y194-F196 HydrophobicContact CE1-CE1 3.77Å; Y194-F196 HydrophobicContact CE1-CG 4.35Å; Y194-F196 HydrophobicContact CE1-CZ 4.33Å; Y194-F196 HydrophobicContact CG-CZ 4.39Å; Y194-N199 PolarHBondContact OH-OD1 2.86Å; Y194-P201 HydrophobicContact CD2-CB 4.48Å; Y194-G244 PolarHBondContact N-O 2.85Å; Y194-G244 VanDerWaalsContact N-O 3.09Å; Y194-I245 CarbonylContact O-C 3.46Å; Y194-I245 VanDerWaalsContact O-CA 3.24Å; Y194-I245 WeakPolarHBondContact O-CA 3.28Å; Y194-R246 PolarHBondContact O-N 2.91Å; Y194-F263 HydrophobicContact CD2-CE2 4.05Å; Y194-F263 HydrophobicContact CD2-CZ 4.46Å; Y194-F263 AromaticContact CG-CE2 3.9Å; Y194-F263 HydrophobicContact CG-CE2 3.9Å; Y194-F263 HydrophobicContact CG-CZ 4.43Å
195	D	97.9	Very high	96.8	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	110.8	171.4	-171.9	-28.4	0	0	0	110.1	N197 D198 N199 D200 D202 R246	D195-N197 WeakPolarHBondContact OD1-CA 3.45Å; D195-N197 WeakPolarHBondContact OD1-CB 3.47Å; D195-N197 PolarHBondContact OD1-N 2.97Å; D195-D198 PolarHBondContact OD1-N 3Å; D195-N199 CarbonylContact O-C 3.55Å; D195-N199 WeakPolarHBondContact O-CA 3.49Å; D195-N199 PolarHBondContact O-N 3.39Å; D195-D200 WeakPolarHBondContact CA-O 3.46Å; D195-D200 WeakPolarHBondContact CB-O 3.09Å; D195-D200 PolarHBondContact N-O 3.13Å; D195-D200 PolarHBondContact O-N 2.93Å; D195-D200 VanDerWaalsContact O-N 3.08Å; D195-D202 WeakPolarHBondContact CB-O 3.38Å; D195-R246 HydrophobicContact CB-CB 4.2Å; D195-R246 VanDerWaalsContact OD2-CD 3.26Å; D195-R246 WeakPolarHBondContact OD2-CD 3.29Å; D195-R246 IonicContact OD2-CZ 3.61Å; D195-R246 IonicContact OD2-NE 2.61Å; D195-R246 IonicContact OD2-NH1 3.62Å; D195-R246 PolarHBondContact OD2-NH1 2.95Å
196	F	91.8	Very high	96.6	Very high	38 Å²	38	45.4 Å²	45.4	17%	0.167	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-13.8	175.7	-72.9	-69.3	0	0	0	113.5	Y194 I245 R246 I256 S259 S260 F263	Y194-F196 AromaticContact CD1-CD1 3.72Å; Y194-F196 HydrophobicContact CD1-CD1 3.72Å; Y194-F196 HydrophobicContact CD1-CD2 4.04Å; Y194-F196 AromaticContact CD1-CE1 3.63Å; Y194-F196 HydrophobicContact CD1-CE1 3.63Å; Y194-F196 AromaticContact CD1-CE2 3.95Å; Y194-F196 HydrophobicContact CD1-CE2 3.95Å; Y194-F196 AromaticContact CD1-CG 3.93Å; Y194-F196 HydrophobicContact CD1-CG 3.93Å; Y194-F196 AromaticContact CD1-CZ 3.75Å; Y194-F196 HydrophobicContact CD1-CZ 3.75Å; Y194-F196 AromaticContact CE1-CD1 3.78Å; Y194-F196 HydrophobicContact CE1-CD1 3.78Å; Y194-F196 AromaticContact CE1-CE1 3.77Å; Y194-F196 HydrophobicContact CE1-CE1 3.77Å; Y194-F196 HydrophobicContact CE1-CG 4.35Å; Y194-F196 HydrophobicContact CE1-CZ 4.33Å; Y194-F196 HydrophobicContact CG-CZ 4.39Å; F196-I245 HydrophobicContact CD2-CG2 3.41Å; F196-I245 VanDerWaalsContact CD2-CG2 3.41Å; F196-I245 HydrophobicContact CE2-CG2 3.63Å; F196-R246 PolarHBondContact N-O 2.88Å; F196-I256 HydrophobicContact CB-CG2 4Å; F196-S259 VanDerWaalsContact CE1-CB 3.44Å; F196-S259 WeakPolarHBondContact CZ-O 3.33Å; F196-S260 WeakPolarHBondContact CD2-OG 3.5Å; F196-F263 HydrophobicContact CE2-CD2 4.24Å; F196-F263 AromaticContact CZ-CD2 3.96Å; F196-F263 HydrophobicContact CZ-CD2 3.96Å
197	N	89.1	Confident	96.4	Very high	35 Å²	35	47.4 Å²	47.4	19%	0.187	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-45.3	175	-64.3	126	0	0	0	110.8	D195 R246 M247 D249	D195-N197 WeakPolarHBondContact OD1-CA 3.45Å; D195-N197 WeakPolarHBondContact OD1-CB 3.47Å; D195-N197 PolarHBondContact OD1-N 2.97Å; N197-R246 PolarHBondContact N-O 3.22Å; N197-R246 VanDerWaalsContact OD1-C 3.31Å; N197-R246 WeakPolarHBondContact OD1-CG 3.48Å; N197-R246 PolarHBondContact OD1-O 3.02Å; N197-M247 PolarHBondContact ND2-O 3.12Å; N197-M247 WeakPolarHBondContact OD1-CA 3.28Å; N197-M247 PolarHBondContact OD1-N 2.89Å; N197-M247 PolarHBondContact OD1-O 2.91Å; N197-D249 PolarHBondContact OD1-N 2.93Å; N197-D249 VanDerWaalsContact OD1-N 3.17Å
198	D	91.4	Very high	96	Very high	102 Å²	102	48.6 Å²	48.6	55%	0.545	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-7.2	178.9	-70.8	-40.4	0	0	0	113.3	D195 R246	D195-D198 PolarHBondContact OD1-N 3Å; D198-R246 IonicContact OD2-CZ 3.66Å; D198-R246 IonicContact OD2-NH1 3.65Å; D198-R246 PolarHBondContact OD2-NH1 3.44Å; D198-R246 IonicContact OD2-NH2 3.88Å; D198-R246 PolarHBondContact OD2-NH2 3.14Å
199	N	91.8	Very high	95.4	Very high	113 Å²	113	52.9 Å²	52.9	60%	0.604	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	55.2	176.5	-172.3	48.9	0	0	0	113.6	Y194 D195	Y194-N199 PolarHBondContact OH-OD1 2.86Å; D195-N199 CarbonylContact O-C 3.55Å; D195-N199 WeakPolarHBondContact O-CA 3.49Å; D195-N199 PolarHBondContact O-N 3.39Å
200	D	96.9	Very high	94.8	Very high	60 Å²	60	56.1 Å²	56.1	32%	0.321	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-146.9	169.9	178	79	74.6	0	0	0	110.9	D195 D202	D195-D200 WeakPolarHBondContact CA-O 3.46Å; D195-D200 WeakPolarHBondContact CB-O 3.09Å; D195-D200 PolarHBondContact N-O 3.13Å; D195-D200 PolarHBondContact O-N 2.93Å; D195-D200 VanDerWaalsContact O-N 3.08Å; D200-D202 VanDerWaalsContact C-N 3.31Å; D200-D202 PolarHBondContact O-N 3.02Å; D200-D202 WeakPolarHBondContact OD1-CB 3.43Å; D200-D202 PolarHBondContact OD1-N 2.75Å
201	P	96.9	Very high	94.5	Very high	91 Å²	91	54.7 Å²	54.7	59%	0.591	30%	0.295	S	S	*	.	S	Bend	trans	-81.5	-2.7	-172.6	33.2	-34.8	0	0	0	114.6	Y194 P203	Y194-P201 HydrophobicContact CD2-CB 4.48Å; P201-P203 WeakPolarHBondContact O-CD 3.25Å
202	D	97.9	Very high	94	Very high	66 Å²	66	57.7 Å²	57.7	35%	0.353	30%	0.302	S	S	.	.			trans	-97.1	104.9	-175.6	-172.5	3.7	0	0	0	111.4	W179 D195 D200 F204	W179-D202 PolarHBondContact NE1-OD1 2.98Å; D195-D202 WeakPolarHBondContact CB-O 3.38Å; D200-D202 VanDerWaalsContact C-N 3.31Å; D200-D202 PolarHBondContact O-N 3.02Å; D200-D202 WeakPolarHBondContact OD1-CB 3.43Å; D200-D202 PolarHBondContact OD1-N 2.75Å; D202-F204 PolarHBondContact O-N 2.92Å; D202-F204 WeakPolarHBondContact OD1-CB 3.5Å; D202-F204 PolarHBondContact OD1-N 3.19Å
203	P	97.9	Very high	93.8	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.304	C	S	.	.			trans	-79.4	16.1	-176.9	40.5	-43.8	0	0	0	113.1	G176 L177 Y188 P201 G244	G176-P203 CarbonylContact C-O 3.56Å; G176-P203 WeakPolarHBondContact CA-O 3.34Å; L177-P203 PolarHBondContact N-O 3.35Å; Y188-P203 HydrophobicContact CE2-CG 4.3Å; Y188-P203 WeakPolarHBondContact OH-CD 3.48Å; P201-P203 WeakPolarHBondContact O-CD 3.25Å; P203-G244 WeakPolarHBondContact CB-O 3.3Å
204	F	98.2	Very high	93.7	Very high	48 Å²	48	60.8 Å²	60.8	21%	0.211	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-59.6	129.2	-172.5	-161.1	-87.9	0	0	0	110.9	E178 W179 N180 D202 Y207	E178-F204 HydrophobicContact CG-CE2 3.82Å; E178-F204 HydrophobicContact CG-CZ 3.96Å; W179-F204 AromaticContact CD1-CD2 3.96Å; W179-F204 AromaticContact NE1-CD2 3.64Å; N180-F204 WeakPolarHBondContact OD1-CE2 3.46Å; D202-F204 PolarHBondContact O-N 2.92Å; D202-F204 WeakPolarHBondContact OD1-CB 3.5Å; D202-F204 PolarHBondContact OD1-N 3.19Å; F204-Y207 HydrophobicContact CE1-CD1 4.47Å; F204-Y207 AromaticContact CE1-CE1 3.88Å; F204-Y207 HydrophobicContact CE1-CE1 3.88Å; F204-Y207 HydrophobicContact CE1-CE2 4.23Å; F204-Y207 AromaticContact CE1-CZ 3.75Å; F204-Y207 HydrophobicContact CZ-CE1 4.22Å; F204-Y207 HydrophobicContact CZ-CE2 4.43Å; F204-Y207 AromaticContact CZ-CZ 3.8Å; F204-Y207 WeakPolarHBondContact CZ-OH 3.2Å
205	P	97.1	Very high	93.6	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.013	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-69.2	139.8	-176.1	26.9	-33.7	0	0	0	110.7	L177 E178 Y207 N213 L377	L177-P205 VanDerWaalsContact C-CD 3.46Å; E178-P205 HydrophobicContact CB-CG 4.04Å; P205-Y207 HydrophobicContact CG-CE1 4.35Å; P205-Y207 PolarHBondContact O-N 3.32Å; P205-N213 HydrophobicContact CB-CB 4.04Å; P205-N213 WeakPolarHBondContact CB-O 3.25Å; P205-L377 HydrophobicContact CB-CD2 4.01Å; P205-L377 HydrophobicContact CG-CD2 3.43Å; P205-L377 VanDerWaalsContact CG-CD2 3.43Å
206	R	94.7	Very high	93.6	Very high	101 Å²	101	60.2 Å²	60.2	38%	0.381	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-69	118.1	172	178.4	-178.7	60.2	84.5	-4	109.6	D208 E212 N213 D249	R206-D208 IonicContact CZ-OD2 2.61Å; R206-D208 IonicContact NH1-OD2 2.83Å; R206-D208 PolarHBondContact NH1-OD2 2.97Å; R206-D208 IonicContact NH2-OD2 3.29Å; R206-E212 IonicContact CZ-OE1 3.49Å; R206-E212 IonicContact NH1-OE1 3.85Å; R206-E212 IonicContact NH2-OE1 3.34Å; R206-E212 PolarHBondContact NH2-OE1 3.42Å; R206-N213 PolarHBondContact O-ND2 2.78Å; R206-N213 VanDerWaalsContact O-ND2 3.07Å; R206-D249 VanDerWaalsContact CB-OD2 3.23Å; R206-D249 WeakPolarHBondContact CB-OD2 3.25Å; R206-D249 IonicContact CZ-OD1 2.7Å; R206-D249 IonicContact CZ-OD2 3.47Å; R206-D249 IonicContact NE-OD1 3.44Å; R206-D249 PolarHBondContact NE-OD1 3.01Å; R206-D249 IonicContact NE-OD2 3.98Å; R206-D249 PolarHBondContact NE-OD2 3.16Å; R206-D249 VanDerWaalsContact NE-OD2 3.15Å; R206-D249 IonicContact NH2-OD1 2.81Å; R206-D249 PolarHBondContact NH2-OD1 3.11Å; R206-D249 IonicContact NH2-OD2 3.48Å
207	Y	94.6	Very high	94	Very high	90 Å²	90	58.4 Å²	58.4	35%	0.353	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-75	137.1	170.7	-65.6	-13.3	0	0	0	112	E178 F204 P205 L377 H378	E178-Y207 VanDerWaalsContact CD-OH 3.31Å; E178-Y207 WeakPolarHBondContact OE1-CE1 3.27Å; E178-Y207 VanDerWaalsContact OE1-CZ 3.28Å; E178-Y207 PolarHBondContact OE1-OH 2.88Å; F204-Y207 HydrophobicContact CE1-CD1 4.47Å; F204-Y207 AromaticContact CE1-CE1 3.88Å; F204-Y207 HydrophobicContact CE1-CE1 3.88Å; F204-Y207 HydrophobicContact CE1-CE2 4.23Å; F204-Y207 AromaticContact CE1-CZ 3.75Å; F204-Y207 HydrophobicContact CZ-CE1 4.22Å; F204-Y207 HydrophobicContact CZ-CE2 4.43Å; F204-Y207 AromaticContact CZ-CZ 3.8Å; F204-Y207 WeakPolarHBondContact CZ-OH 3.2Å; P205-Y207 HydrophobicContact CG-CE1 4.35Å; P205-Y207 PolarHBondContact O-N 3.32Å; Y207-L377 HydrophobicContact CD1-CD1 4.36Å; Y207-L377 HydrophobicContact CE1-CB 4.37Å; Y207-L377 HydrophobicContact CE1-CD2 4.16Å; Y207-H378 AromaticContact CD1-CE1 3.79Å; Y207-H378 AromaticContact CD2-CE1 3.48Å; Y207-H378 VanDerWaalsContact CD2-CE1 3.48Å; Y207-H378 WeakPolarHBondContact CD2-CE1 3.3Å; Y207-H378 AromaticContact CD2-ND1 3.7Å; Y207-H378 AromaticContact CE2-CE1 3.75Å; Y207-H378 AromaticContact CE2-ND1 3.51Å; Y207-H378 AromaticContact CG-CE1 3.49Å; Y207-H378 VanDerWaalsContact CG-CE1 3.49Å; Y207-H378 AromaticContact CZ-ND1 3.77Å
208	D	89.7	Confident	94.4	Very high	37 Å²	37	58 Å²	58	20%	0.198	30%	0.303	C	S	.	.			trans	-145.8	-178.7	170.9	60.8	29	0	0	0	111.6	R206 T210 N211 E212	R206-D208 IonicContact CZ-OD2 2.61Å; R206-D208 IonicContact NH1-OD2 2.83Å; R206-D208 PolarHBondContact NH1-OD2 2.97Å; R206-D208 IonicContact NH2-OD2 3.29Å; D208-T210 PolarHBondContact O-N 3.08Å; D208-T210 PolarHBondContact OD1-N 3.06Å; D208-T210 PolarHBondContact OD1-OG1 2.82Å; D208-N211 PolarHBondContact O-N 3.07Å; D208-N211 PolarHBondContact O-OD1 2.84Å; D208-N211 WeakPolarHBondContact OD1-CA 3.43Å; D208-N211 PolarHBondContact OD1-N 3.45Å; D208-E212 PolarHBondContact OD1-N 3.19Å; D208-E212 WeakPolarHBondContact OD2-CG 3.41Å; D208-E212 VanDerWaalsContact OD2-OE1 3.13Å
209	S	86.4	Confident	94.8	Very high	125 Å²	125	53.2 Å²	53.2	87%	0.874	28%	0.277	S	S	*	.	S	Bend	trans	-70.2	-18.9	-178.4	53.7	0	0	0	0	114.2
210	T	86.5	Confident	95.1	Very high	88 Å²	88	47.9 Å²	47.9	54%	0.54	25%	0.249	S	C	.	.	S	Bend	trans	-92.9	-17.3	-178.5	46.5	0	0	0	0	111.8	D208 E212	D208-T210 PolarHBondContact O-N 3.08Å; D208-T210 PolarHBondContact OD1-N 3.06Å; D208-T210 PolarHBondContact OD1-OG1 2.82Å; T210-E212 PolarHBondContact O-N 3.21Å
211	N	90.4	Very high	95.2	Very high	55 Å²	55	45 Å²	45	29%	0.294	23%	0.233	S	C	.	.			trans	48.6	49.7	-170.2	-69.6	-28.5	0	0	0	109.7	D208 K214 L377 H378	D208-N211 PolarHBondContact O-N 3.07Å; D208-N211 PolarHBondContact O-OD1 2.84Å; D208-N211 WeakPolarHBondContact OD1-CA 3.43Å; D208-N211 PolarHBondContact OD1-N 3.45Å; N211-K214 VanDerWaalsContact O-CD 3.3Å; N211-K214 WeakPolarHBondContact O-CD 3.45Å; N211-K214 WeakPolarHBondContact O-CG 3.3Å; N211-K214 PolarHBondContact O-NZ 3.04Å; N211-L377 HydrophobicContact CB-CD1 4.35Å; N211-H378 PolarHBondContact OD1-NE2 3.46Å
212	E	89	Confident	95.3	Very high	103 Å²	103	40.8 Å²	40.8	48%	0.481	21%	0.206	S	C	.	.			trans	-71.2	-40.8	179.8	66.6	-165.7	-179.2	0	0	111.2	R206 D208 T210 K214	R206-E212 IonicContact CZ-OE1 3.49Å; R206-E212 IonicContact NH1-OE1 3.85Å; R206-E212 IonicContact NH2-OE1 3.34Å; R206-E212 PolarHBondContact NH2-OE1 3.42Å; D208-E212 PolarHBondContact OD1-N 3.19Å; D208-E212 WeakPolarHBondContact OD2-CG 3.41Å; D208-E212 VanDerWaalsContact OD2-OE1 3.13Å; T210-E212 PolarHBondContact O-N 3.21Å; E212-K214 PolarHBondContact O-N 2.86Å
213	N	94.9	Very high	95.3	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.043	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	38.7	-176.9	-60.8	-41.9	0	0	0	114.9	D175 P205 R206 D249 L377	D175-N213 HydrophobicContact CB-CB 4.16Å; D175-N213 VanDerWaalsContact CG-CA 3.48Å; D175-N213 WeakPolarHBondContact OD2-CA 3.42Å; P205-N213 HydrophobicContact CB-CB 4.04Å; P205-N213 WeakPolarHBondContact CB-O 3.25Å; R206-N213 PolarHBondContact O-ND2 2.78Å; R206-N213 VanDerWaalsContact O-ND2 3.07Å; N213-D249 PolarHBondContact ND2-OD1 2.93Å; N213-D249 VanDerWaalsContact ND2-OD1 3.09Å; N213-D249 PolarHBondContact ND2-OD2 2.93Å; N213-D249 VanDerWaalsContact ND2-OD2 3.1Å; N213-D249 WeakPolarHBondContact OD1-CB 3.49Å; N213-D249 PolarHBondContact OD1-OD1 3.19Å; N213-L377 WeakPolarHBondContact O-CD1 3.41Å; N213-L377 WeakPolarHBondContact O-CD2 3.5Å
214	K	95.9	Very high	95.3	Very high	60 Å²	60	37.6 Å²	37.6	26%	0.261	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-9.8	-176.8	64.9	-179.1	173.3	-99.9	0	113.9	D175 N211 E212 R218 L377	D175-K214 PolarHBondContact OD2-N 2.99Å; D175-K214 VanDerWaalsContact OD2-N 3.12Å; N211-K214 VanDerWaalsContact O-CD 3.3Å; N211-K214 WeakPolarHBondContact O-CD 3.45Å; N211-K214 WeakPolarHBondContact O-CG 3.3Å; N211-K214 PolarHBondContact O-NZ 3.04Å; E212-K214 PolarHBondContact O-N 2.86Å; K214-R218 WeakPolarHBondContact O-CG 3.31Å; K214-R218 PolarHBondContact O-N 3.39Å; K214-L377 HydrophobicContact CB-CB 4.42Å; K214-L377 HydrophobicContact CB-CD1 3.56Å; K214-L377 HydrophobicContact CB-CD2 4.45Å; K214-L377 HydrophobicContact CB-CG 3.48Å; K214-L377 VanDerWaalsContact CB-CG 3.48Å
215	H	97.3	Very high	95.3	Very high	43 Å²	43	35.3 Å²	35.3	20%	0.199	18%	0.179	C	C	.	.	H	α-helix	trans	-71.6	-46	-163.2	-175.1	-88.7	0	0	0	111.4	D174 D175 T217 R218 C219 H385 S389	D174-H215 WeakPolarHBondContact OD1-CB 3.01Å; D174-H215 IonicContact OD1-CG 3.28Å; D174-H215 IonicContact OD1-ND1 2.84Å; D174-H215 PolarHBondContact OD1-ND1 3.02Å; D174-H215 IonicContact OD2-CE1 3.73Å; D174-H215 PolarHBondContact OD2-CE1 2.96Å; D174-H215 VanDerWaalsContact OD2-CE1 3.29Å; D174-H215 IonicContact OD2-CG 3.71Å; D174-H215 IonicContact OD2-ND1 3.86Å; D174-H215 PolarHBondContact OD2-ND1 3.13Å; D175-H215 PolarHBondContact OD1-N 3.05Å; D175-H215 WeakPolarHBondContact OD2-CA 3.41Å; D175-H215 WeakPolarHBondContact OD2-CB 3.45Å; D175-H215 PolarHBondContact OD2-N 3.4Å; H215-T217 PolarHBondContact O-N 2.93Å; H215-R218 WeakPolarHBondContact O-CB 3.02Å; H215-R218 PolarHBondContact O-N 3.09Å; H215-C219 VanDerWaalsContact CE1-SG 3.52Å; H215-C219 PolarHBondContact O-N 2.99Å; H215-C219 PolarHBondContact O-SG 2.89Å; H215-H385 AromaticContact CD2-CE1 3.89Å; H215-H385 AromaticContact NE2-CE1 3.8Å; H215-S389 WeakPolarHBondContact NE2-CB 3.43Å
216	G	97.9	Very high	95.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-37.5	178.4	0	0	0	0	0	113.5	D174 D175 G176 R218 C219 A220	D174-G216 PolarHBondContact OD1-N 2.93Å; D175-G216 PolarHBondContact OD1-N 3.22Å; G176-G216 CarbonylContact O-C 3.52Å; G176-G216 VanDerWaalsContact O-CA 3.3Å; G176-G216 WeakPolarHBondContact O-CA 3.06Å; G216-R218 PolarHBondContact O-N 3.45Å; G216-C219 PolarHBondContact O-N 3.23Å; G216-A220 WeakPolarHBondContact O-CB 3.35Å; G216-A220 PolarHBondContact O-N 3.48Å
217	T	98.7	Very high	95.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.6	-39.9	175.2	-60.6	0	0	0	0	111.9	G176 E178 I184 H215 A220 G221 A375	G176-T217 PolarHBondContact O-N 2.97Å; E178-T217 HydrophobicContact CB-CG2 3.84Å; E178-T217 WeakPolarHBondContact CB-OG1 3.1Å; E178-T217 PolarHBondContact N-OG1 2.95Å; I184-T217 HydrophobicContact CD1-CG2 4.25Å; H215-T217 PolarHBondContact O-N 2.93Å; T217-A220 PolarHBondContact O-N 2.8Å; T217-G221 PolarHBondContact O-N 2.92Å; T217-A375 HydrophobicContact CG2-CB 4.42Å
218	R	98.6	Very high	95.4	Very high	27 Å²	27	33.4 Å²	33.4	10%	0.102	18%	0.184	C	C	.	.	H	α-helix	trans	-64.3	-46.3	174.8	-71.5	169.8	174	-149.7	-5.6	111.4	K214 H215 G216 A220 G221 E222 S374 A375 D376 T382	K214-R218 WeakPolarHBondContact O-CG 3.31Å; K214-R218 PolarHBondContact O-N 3.39Å; H215-R218 WeakPolarHBondContact O-CB 3.02Å; H215-R218 PolarHBondContact O-N 3.09Å; G216-R218 PolarHBondContact O-N 3.45Å; R218-A220 PolarHBondContact O-N 3.12Å; R218-G221 PolarHBondContact O-N 2.9Å; R218-E222 PolarHBondContact O-N 3.42Å; R218-S374 WeakPolarHBondContact O-CB 3.36Å; R218-S374 PolarHBondContact O-OG 3.1Å; R218-A375 WeakPolarHBondContact CA-O 3.28Å; R218-A375 WeakPolarHBondContact CG-O 3.1Å; R218-D376 IonicContact CZ-OD1 3.33Å; R218-D376 IonicContact CZ-OD2 3.67Å; R218-D376 IonicContact NE-OD1 2.66Å; R218-D376 PolarHBondContact NE-OD1 3.37Å; R218-D376 IonicContact NE-OD2 3.7Å; R218-D376 PolarHBondContact NE-OD2 2.93Å; R218-D376 IonicContact NH2-OD1 2.73Å; R218-D376 PolarHBondContact NH2-OD1 3.36Å; R218-D376 IonicContact NH2-OD2 3.43Å; R218-D376 PolarHBondContact NH2-OD2 3.29Å; R218-T382 HydrophobicContact CG-CG2 4.06Å; R218-T382 PolarHBondContact NH2-OG1 2.92Å
219	C	98.7	Very high	95.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-44.9	177.2	-66.4	0	0	0	0	111.7	V172 H215 G216 G221 E222 I223 P393	V172-C219 HydrophobicContact CG1-CB 3.89Å; V172-C219 HydrophobicContact CG2-CB 4.49Å; H215-C219 VanDerWaalsContact CE1-SG 3.52Å; H215-C219 PolarHBondContact O-N 2.99Å; H215-C219 PolarHBondContact O-SG 2.89Å; G216-C219 PolarHBondContact O-N 3.23Å; C219-G221 VanDerWaalsContact C-N 3.3Å; C219-G221 PolarHBondContact O-N 3.18Å; C219-E222 WeakPolarHBondContact O-CB 3.37Å; C219-E222 PolarHBondContact O-N 2.93Å; C219-I223 PolarHBondContact O-N 3.11Å; C219-P393 HydrophobicContact CB-CB 4.18Å; C219-P393 HydrophobicContact CB-CG 3.57Å; C219-P393 WeakPolarHBondContact O-CB 3.41Å
220	A	98.7	Very high	96.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-38.2	178	0	0	0	0	0	112.5	V172 L177 I184 G216 T217 R218 E222 I223 A224 V242	V172-A220 HydrophobicContact CG2-CB 4.14Å; L177-A220 HydrophobicContact CD1-CB 3.54Å; L177-A220 HydrophobicContact CG-CB 3.96Å; I184-A220 HydrophobicContact CD1-CB 4.22Å; G216-A220 WeakPolarHBondContact O-CB 3.35Å; G216-A220 PolarHBondContact O-N 3.48Å; T217-A220 PolarHBondContact O-N 2.8Å; R218-A220 PolarHBondContact O-N 3.12Å; A220-E222 PolarHBondContact O-N 3.24Å; A220-I223 PolarHBondContact O-N 2.9Å; A220-A224 PolarHBondContact O-N 3.21Å; A220-V242 HydrophobicContact CB-CG2 3.95Å
221	G	98.5	Very high	96.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.1	-38.4	175.9	0	0	0	0	0	113.1	T217 R218 C219 I223 M225 S374	T217-G221 PolarHBondContact O-N 2.92Å; R218-G221 PolarHBondContact O-N 2.9Å; C219-G221 VanDerWaalsContact C-N 3.3Å; C219-G221 PolarHBondContact O-N 3.18Å; G221-I223 PolarHBondContact O-N 2.53Å; G221-M225 WeakPolarHBondContact O-CB 3.27Å; G221-M225 WeakPolarHBondContact O-CG 3.41Å; G221-M225 PolarHBondContact O-N 2.99Å; G221-S374 VanDerWaalsContact C-OG 3.23Å; G221-S374 VanDerWaalsContact CA-OG 3.28Å; G221-S374 WeakPolarHBondContact CA-OG 3.36Å
222	E	98.8	Very high	97	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.009	14%	0.144	C	C	.	.	H	α-helix	trans	-63.1	-34.4	177.1	-66.9	178.4	-96.9	0	0	112.4	R218 C219 A220 G235 V236 I372 S374 H385 P393 L394	R218-E222 PolarHBondContact O-N 3.42Å; C219-E222 WeakPolarHBondContact O-CB 3.37Å; C219-E222 PolarHBondContact O-N 2.93Å; A220-E222 PolarHBondContact O-N 3.24Å; E222-G235 WeakPolarHBondContact O-CA 3.47Å; E222-V236 PolarHBondContact O-N 2.65Å; E222-I372 VanDerWaalsContact CD-CG2 3.49Å; E222-I372 HydrophobicContact CG-CG2 3.81Å; E222-I372 WeakPolarHBondContact OE2-CG2 3.42Å; E222-S374 PolarHBondContact N-OG 3.11Å; E222-S374 VanDerWaalsContact N-OG 3.08Å; E222-H385 IonicContact OE1-CD2 2.58Å; E222-H385 PolarHBondContact OE1-CD2 3.08Å; E222-H385 IonicContact OE1-NE2 3.84Å; E222-H385 PolarHBondContact OE1-NE2 3Å; E222-P393 HydrophobicContact CB-CB 3.98Å; E222-L394 HydrophobicContact CB-CD2 4.19Å; E222-L394 WeakPolarHBondContact OE2-CG 3.36Å
223	I	98.8	Very high	97.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-76.6	-55.1	179.7	-62.5	157.9	0	0	0	110.1	I170 V172 C219 A220 G221 G235 V236 A237 P393 A396	I170-I223 HydrophobicContact CB-CG2 4.24Å; I170-I223 HydrophobicContact CD1-CG2 4.05Å; I170-I223 HydrophobicContact CG1-CG2 4.22Å; I170-I223 HydrophobicContact CG2-CD1 4Å; I170-I223 HydrophobicContact CG2-CG2 4.31Å; V172-I223 HydrophobicContact CG2-CD1 3.73Å; C219-I223 PolarHBondContact O-N 3.11Å; A220-I223 PolarHBondContact O-N 2.9Å; G221-I223 PolarHBondContact O-N 2.53Å; I223-G235 CarbonylContact O-C 3.52Å; I223-V236 PolarHBondContact O-N 3.15Å; I223-A237 CarbonylContact O-C 3.51Å; I223-A237 WeakPolarHBondContact O-CA 3.44Å; I223-A237 PolarHBondContact O-N 2.85Å; I223-P393 HydrophobicContact CD1-CB 4.01Å; I223-P393 HydrophobicContact CG1-CB 3.87Å; I223-P393 VanDerWaalsContact CG1-O 3.28Å; I223-P393 WeakPolarHBondContact CG1-O 3.29Å; I223-A396 HydrophobicContact CD1-CB 4.39Å; I223-A396 HydrophobicContact CG1-CB 4.43Å
224	A	98.4	Very high	97.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-145.3	28.6	-161.5	0	0	0	0	0	115.3	N187 A220 V242	N187-A224 HydrophobicContact CB-CB 4.36Å; N187-A224 PolarHBondContact ND2-O 2.85Å; A220-A224 PolarHBondContact O-N 3.21Å; A224-V242 HydrophobicContact CB-CB 3.94Å; A224-V242 HydrophobicContact CB-CG1 3.93Å
225	M	97.5	Very high	97.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-61.1	143.9	161.3	73.1	-171	154.8	0	0	110.2	D183 G221 C232 G233 V234 G235 Y238	D183-M225 HydrophobicContact CB-CB 4.13Å; D183-M225 CarbonylContact O-C 3.58Å; D183-M225 WeakPolarHBondContact O-CA 3.38Å; G221-M225 WeakPolarHBondContact O-CB 3.27Å; G221-M225 WeakPolarHBondContact O-CG 3.41Å; G221-M225 PolarHBondContact O-N 2.99Å; M225-C232 HydrophobicContact SD-CB 4.35Å; M225-G233 WeakPolarHBondContact CG-O 3.43Å; M225-V234 VanDerWaalsContact CE-C 3.49Å; M225-V234 VanDerWaalsContact CE-O 3.31Å; M225-V234 WeakPolarHBondContact CE-O 3.37Å; M225-G235 PolarHBondContact O-N 2.86Å; M225-Y238 WeakPolarHBondContact O-CB 3.49Å
226	Q	97.8	Very high	97.7	Very high	40 Å²	40	18.5 Å²	18.5	19%	0.187	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-66.5	158.2	-170.4	-77.7	163.4	83.6	0	0	111.7	T182 D183 A186 N229 G233	T182-Q226 PolarHBondContact O-NE2 3.1Å; D183-Q226 WeakPolarHBondContact O-CG 3.33Å; D183-Q226 PolarHBondContact O-N 2.91Å; D183-Q226 PolarHBondContact O-NE2 2.97Å; D183-Q226 PolarHBondContact OD1-N 3.21Å; A186-Q226 VanDerWaalsContact CB-CD 3.43Å; A186-Q226 HydrophobicContact CB-CG 4.15Å; A186-Q226 VanDerWaalsContact CB-OE1 3.28Å; Q226-N229 HydrophobicContact CB-CB 4.41Å; Q226-N229 WeakPolarHBondContact CB-ND2 3.48Å; Q226-G233 VanDerWaalsContact O-O 3.11Å
227	A	96.4	Very high	97.7	Very high	24 Å²	24	18.5 Å²	18.5	20%	0.198	10%	0.097	C	C	.	.	S	Bend	trans	-99.6	148.6	168.7	0	0	0	0	0	110.5	F128 N229 V234 Y238	F128-A227 HydrophobicContact CD1-CB 3.75Å; F128-A227 HydrophobicContact CE1-CB 3.56Å; F128-A227 HydrophobicContact CZ-CB 4.29Å; A227-N229 VanDerWaalsContact C-N 3.32Å; A227-N229 PolarHBondContact O-N 3.07Å; A227-V234 HydrophobicContact CB-CG1 3.77Å; A227-V234 HydrophobicContact CB-CG2 4.21Å; A227-Y238 HydrophobicContact CB-CD1 4.4Å; A227-Y238 HydrophobicContact CB-CD2 3.64Å; A227-Y238 HydrophobicContact CB-CE2 3.98Å; A227-Y238 HydrophobicContact CB-CG 3.86Å
228	D	95.1	Very high	97.7	Very high	88 Å²	88	20 Å²	20	47%	0.471	10%	0.103	S	C	.	.	S	Bend	trans	56.8	37	171.7	-67.5	-42.8	0	0	0	114.8	F128 D129 D130	F128-D228 VanDerWaalsContact CA-OD1 3.24Å; F128-D228 WeakPolarHBondContact CA-OD1 3.46Å; F128-D228 WeakPolarHBondContact CD1-OD2 3.42Å; D129-D228 PolarHBondContact N-OD1 3.23Å; D130-D228 WeakPolarHBondContact OD2-CA 3.44Å; D130-D228 PolarHBondContact OD2-N 3.43Å
229	N	95.6	Very high	97.7	Very high	47 Å²	47	22.2 Å²	22.2	25%	0.251	12%	0.117	S	C	.	.	S	Bend	trans	-109.4	2.6	176.5	73.8	-3.8	0	0	0	113.1	D130 D183 Q226 A227 K231	D130-N229 PolarHBondContact OD1-N 2.83Å; D130-N229 VanDerWaalsContact OD1-N 3.09Å; D130-N229 PolarHBondContact OD1-OD1 3.07Å; D130-N229 VanDerWaalsContact OD1-OD1 3.06Å; D183-N229 PolarHBondContact OD1-ND2 2.9Å; D183-N229 PolarHBondContact OD1-OD1 2.86Å; Q226-N229 HydrophobicContact CB-CB 4.41Å; Q226-N229 WeakPolarHBondContact CB-ND2 3.48Å; A227-N229 VanDerWaalsContact C-N 3.32Å; A227-N229 PolarHBondContact O-N 3.07Å; N229-K231 PolarHBondContact O-N 2.82Å; N229-K231 WeakPolarHBondContact OD1-CA 3.42Å; N229-K231 VanDerWaalsContact OD1-CB 3.3Å; N229-K231 WeakPolarHBondContact OD1-CB 3.31Å; N229-K231 PolarHBondContact OD1-N 2.8Å; N229-K231 PolarHBondContact OD1-O 2.7Å
230	N	95.6	Very high	97.7	Very high	116 Å²	116	22.2 Å²	22.2	62%	0.62	12%	0.117	S	C	*	.	S	Bend	trans	62.4	26.6	-176.4	-61	-64.9	0	0	0	113.7	D130	D130-N230 PolarHBondContact OD1-N 3.45Å
231	K	97.1	Very high	97.7	Very high	44 Å²	44	26.1 Å²	26.1	19%	0.191	13%	0.133	C	C	.	.	S	Bend	trans	-122.3	145	175.9	-175	64.1	178.4	176.4	0	109	T182 D183 N229 G233 N379	T182-K231 WeakPolarHBondContact OG1-CD 3.43Å; T182-K231 VanDerWaalsContact OG1-CE 3.27Å; T182-K231 WeakPolarHBondContact OG1-CE 3.43Å; D183-K231 HydrophobicContact CB-CB 4.24Å; D183-K231 HydrophobicContact CB-CG 3.68Å; N229-K231 PolarHBondContact O-N 2.82Å; N229-K231 WeakPolarHBondContact OD1-CA 3.42Å; N229-K231 VanDerWaalsContact OD1-CB 3.3Å; N229-K231 WeakPolarHBondContact OD1-CB 3.31Å; N229-K231 PolarHBondContact OD1-N 2.8Å; N229-K231 PolarHBondContact OD1-O 2.7Å; K231-G233 PolarHBondContact O-N 3.46Å; K231-G233 VanDerWaalsContact O-N 3.12Å; K231-N379 WeakPolarHBondContact CE-O 3.28Å; K231-N379 PolarHBondContact NZ-O 2.75Å
232	C	97.3	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	29.8	-110.8	-178.2	-44.5	0	0	0	0	115	P131 M132 D183 M225 C381	P131-C232 VanDerWaalsContact CD-O 3.32Å; P131-C232 WeakPolarHBondContact CD-O 3.25Å; P131-C232 WeakPolarHBondContact CG-O 3.23Å; M132-C232 VanDerWaalsContact CA-O 3.3Å; M132-C232 WeakPolarHBondContact CA-O 3.39Å; M132-C232 WeakPolarHBondContact CB-O 3.26Å; M132-C232 VanDerWaalsContact CG-O 3.3Å; M132-C232 WeakPolarHBondContact CG-O 3.36Å; M132-C232 PolarHBondContact N-O 2.75Å; M132-C232 HydrophobicContact SD-CB 3.91Å; D183-C232 VanDerWaalsContact OD2-CB 3.23Å; D183-C232 WeakPolarHBondContact OD2-CB 3.27Å; M225-C232 HydrophobicContact SD-CB 4.35Å; C232-C381 WeakPolarHBondContact CA-SG 3.48Å; C232-C381 HydrophobicContact CB-CB 3.64Å; C232-C381 WeakPolarHBondContact CB-SG 3.34Å; C232-C381 WeakPolarHBondContact SG-CB 3.49Å; C232-C381 CovalentContact SG-SG 2.02Å; C232-C381 PolarHBondContact SG-SG 2.77Å
233	G	96.4	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.			trans	-136.5	-153.4	-178.9	0	0	0	0	0	110.3	M225 Q226 K231	M225-G233 WeakPolarHBondContact CG-O 3.43Å; Q226-G233 VanDerWaalsContact O-O 3.11Å; K231-G233 PolarHBondContact O-N 3.46Å; K231-G233 VanDerWaalsContact O-N 3.12Å
234	V	97.9	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.			trans	-121.1	134.8	-178.3	-175.5	0	0	0	0	112.1	F128 D130 W133 Q136 L139 M225 A227 Y238	F128-V234 HydrophobicContact CB-CG2 3.84Å; F128-V234 HydrophobicContact CD1-CG2 4.23Å; F128-V234 HydrophobicContact CD2-CB 4.32Å; F128-V234 HydrophobicContact CD2-CG1 4.38Å; F128-V234 HydrophobicContact CD2-CG2 3.71Å; F128-V234 HydrophobicContact CE2-CB 4.49Å; F128-V234 HydrophobicContact CE2-CG1 4.12Å; F128-V234 HydrophobicContact CE2-CG2 4.28Å; F128-V234 HydrophobicContact CG-CG2 3.66Å; F128-V234 HydrophobicContact CZ-CG1 4.27Å; D130-V234 HydrophobicContact CB-CG2 4.33Å; D130-V234 WeakPolarHBondContact OD2-CG2 3.46Å; W133-V234 HydrophobicContact CE3-CB 4.06Å; W133-V234 HydrophobicContact CE3-CG2 3.92Å; W133-V234 HydrophobicContact CZ3-CB 4.09Å; W133-V234 HydrophobicContact CZ3-CG2 4.38Å; Q136-V234 PolarHBondContact NE2-O 3.21Å; L139-V234 WeakPolarHBondContact CD1-O 3.42Å; M225-V234 VanDerWaalsContact CE-C 3.49Å; M225-V234 VanDerWaalsContact CE-O 3.31Å; M225-V234 WeakPolarHBondContact CE-O 3.37Å; A227-V234 HydrophobicContact CB-CG1 3.77Å; A227-V234 HydrophobicContact CB-CG2 4.21Å; V234-Y238 HydrophobicContact CG1-CD1 3.49Å; V234-Y238 VanDerWaalsContact CG1-CD1 3.49Å; V234-Y238 HydrophobicContact CG1-CE1 4.26Å; V234-Y238 HydrophobicContact CG1-CG 3.82Å
235	G	98.4	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.			trans	-71.2	153.4	174.9	0	0	0	0	0	111.8	E222 I223 M225 A237 Y238	E222-G235 WeakPolarHBondContact O-CA 3.47Å; I223-G235 CarbonylContact O-C 3.52Å; M225-G235 PolarHBondContact O-N 2.86Å; G235-A237 PolarHBondContact O-N 2.8Å; G235-Y238 WeakPolarHBondContact O-CD1 3.4Å; G235-Y238 PolarHBondContact O-N 3.27Å
236	V	98.8	Very high	97.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-40.4	177	173.3	0	0	0	0	111.3	L139 V155 W159 E222 I223 L394 G397 I398 L401	L139-V236 HydrophobicContact CD2-CG2 3.67Å; V155-V236 HydrophobicContact CG1-CG1 4.22Å; W159-V236 WeakPolarHBondContact CZ2-O 3.26Å; W159-V236 PolarHBondContact NE1-O 3.44Å; E222-V236 PolarHBondContact O-N 2.65Å; I223-V236 PolarHBondContact O-N 3.15Å; V236-L394 HydrophobicContact CG2-CD2 3.62Å; V236-G397 VanDerWaalsContact CG1-C 3.43Å; V236-I398 HydrophobicContact CG1-CG1 3.87Å; V236-L401 HydrophobicContact CG1-CD1 4.08Å
237	A	98.6	Very high	97.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	58.7	-177.3	0	0	0	0	0	109.2	T164 I223 G235 N239 S240 G397 A400 L401	T164-A237 CarbonylContact O-C 3.51Å; T164-A237 VanDerWaalsContact O-CA 3.25Å; T164-A237 WeakPolarHBondContact O-CA 3.5Å; I223-A237 CarbonylContact O-C 3.51Å; I223-A237 WeakPolarHBondContact O-CA 3.44Å; I223-A237 PolarHBondContact O-N 2.85Å; G235-A237 PolarHBondContact O-N 2.8Å; A237-N239 PolarHBondContact O-N 2.93Å; A237-S240 WeakPolarHBondContact CB-OG 3.25Å; A237-S240 VanDerWaalsContact O-CB 3.24Å; A237-S240 WeakPolarHBondContact O-CB 3.28Å; A237-S240 PolarHBondContact O-N 3.39Å; A237-S240 PolarHBondContact O-OG 2.61Å; A237-G397 WeakPolarHBondContact CB-O 3.41Å; A237-A400 HydrophobicContact CB-CB 3.88Å; A237-L401 HydrophobicContact CB-CD2 4Å; A237-L401 HydrophobicContact CB-CG 4.49Å
238	Y	98.6	Very high	97.3	Very high	30 Å²	30	26.5 Å²	26.5	12%	0.118	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-4.7	-170.1	59.4	-101.7	0	0	0	116.6	F128 W159 T164 N187 M225 A227 V234 G235	F128-Y238 HydrophobicContact CE1-CE1 4.49Å; F128-Y238 AromaticContact CZ-CE1 3.81Å; F128-Y238 HydrophobicContact CZ-CE1 3.81Å; F128-Y238 AromaticContact CZ-CZ 3.98Å; W159-Y238 AromaticContact CD1-CE1 3.76Å; W159-Y238 AromaticContact CD2-CE1 3.77Å; W159-Y238 HydrophobicContact CD2-CE1 3.77Å; W159-Y238 AromaticContact CE2-CE1 3.63Å; W159-Y238 HydrophobicContact CE3-CE1 4.4Å; W159-Y238 AromaticContact CG-CE1 3.85Å; W159-Y238 HydrophobicContact CG-CE1 3.85Å; W159-Y238 HydrophobicContact CZ2-CD1 4.14Å; W159-Y238 HydrophobicContact CZ2-CE1 4.15Å; W159-Y238 AromaticContact NE1-CE1 3.64Å; T164-Y238 HydrophobicContact CG2-CE1 4.03Å; T164-Y238 HydrophobicContact CG2-CE2 3.64Å; T164-Y238 WeakPolarHBondContact CG2-OH 3.44Å; T164-Y238 PolarHBondContact O-N 2.96Å; N187-Y238 PolarHBondContact ND2-O 2.92Å; M225-Y238 WeakPolarHBondContact O-CB 3.49Å; A227-Y238 HydrophobicContact CB-CD1 4.4Å; A227-Y238 HydrophobicContact CB-CD2 3.64Å; A227-Y238 HydrophobicContact CB-CE2 3.98Å; A227-Y238 HydrophobicContact CB-CG 3.86Å; V234-Y238 HydrophobicContact CG1-CD1 3.49Å; V234-Y238 VanDerWaalsContact CG1-CD1 3.49Å; V234-Y238 HydrophobicContact CG1-CE1 4.26Å; V234-Y238 HydrophobicContact CG1-CG 3.82Å; G235-Y238 WeakPolarHBondContact O-CD1 3.4Å; G235-Y238 PolarHBondContact O-N 3.27Å
239	N	98.6	Very high	97	Very high	75 Å²	75	23.4 Å²	23.4	40%	0.401	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	6.9	170.3	-78.1	-40.6	0	0	0	113.6	T164 K166 A237	T164-N239 WeakPolarHBondContact CB-ND2 3.38Å; T164-N239 PolarHBondContact O-N 3.29Å; T164-N239 WeakPolarHBondContact OG1-CB 3.39Å; T164-N239 PolarHBondContact OG1-ND2 2.86Å; K166-N239 HydrophobicContact CB-CB 4.22Å; A237-N239 PolarHBondContact O-N 2.93Å
240	S	98.8	Very high	96.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-71.5	161.3	171.5	-49.2	0	0	0	0	111.2	G165 N187 A237	G165-S240 VanDerWaalsContact CA-OG 3.27Å; G165-S240 WeakPolarHBondContact CA-OG 3.35Å; G165-S240 VanDerWaalsContact O-CA 3.27Å; G165-S240 WeakPolarHBondContact O-CA 3.25Å; G165-S240 PolarHBondContact O-OG 2.57Å; G165-S240 VanDerWaalsContact O-OG 3.08Å; N187-S240 WeakPolarHBondContact CB-O 3.43Å; A237-S240 WeakPolarHBondContact CB-OG 3.25Å; A237-S240 VanDerWaalsContact O-CB 3.24Å; A237-S240 WeakPolarHBondContact O-CB 3.28Å; A237-S240 PolarHBondContact O-N 3.39Å; A237-S240 PolarHBondContact O-OG 2.61Å
241	K	98.8	Very high	95.8	Very high	82 Å²	82	24.7 Å²	24.7	36%	0.357	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	138.5	164.6	-70	-51.8	-175.1	-177.5	0	110.4	V168 V169 I170 A186 N187 D189	V168-K241 PolarHBondContact O-N 2.91Å; V169-K241 HydrophobicContact CB-CB 4.48Å; V169-K241 HydrophobicContact CG1-CB 4.37Å; V169-K241 HydrophobicContact CG2-CB 4.1Å; I170-K241 PolarHBondContact N-O 2.81Å; A186-K241 PolarHBondContact O-NZ 3.22Å; N187-K241 CarbonylContact O-C 3.48Å; N187-K241 VanDerWaalsContact O-CA 3.32Å; N187-K241 WeakPolarHBondContact O-CA 3.3Å; N187-K241 WeakPolarHBondContact O-CD 3.5Å; D189-K241 HydrophobicContact CB-CB 3.93Å; D189-K241 HydrophobicContact CB-CG 4.48Å
242	V	98.8	Very high	95.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.8	179	69	0	0	0	0	111.1	I170 V172 L177 I184 N187 Y188 D189 A220 A224	I170-V242 CarbonylContact O-C 3.6Å; I170-V242 VanDerWaalsContact O-CA 3.28Å; I170-V242 WeakPolarHBondContact O-CA 3.18Å; V172-V242 HydrophobicContact CG2-CG2 4.29Å; L177-V242 HydrophobicContact CD1-CG2 4.21Å; I184-V242 HydrophobicContact CG2-CG1 3.83Å; N187-V242 HydrophobicContact CB-CG1 4.48Å; N187-V242 PolarHBondContact O-N 2.92Å; Y188-V242 CarbonylContact C-O 3.59Å; Y188-V242 VanDerWaalsContact CA-O 3.3Å; Y188-V242 WeakPolarHBondContact CA-O 3.22Å; D189-V242 PolarHBondContact N-O 2.9Å; A220-V242 HydrophobicContact CB-CG2 3.95Å; A224-V242 HydrophobicContact CB-CB 3.94Å; A224-V242 HydrophobicContact CB-CG1 3.93Å
243	G	98.8	Very high	94.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	172.4	170.4	0	0	0	0	0	112.1	I170 T171 V172 L177 A192 S193	I170-G243 PolarHBondContact O-N 3.41Å; T171-G243 WeakPolarHBondContact CA-O 3.26Å; V172-G243 PolarHBondContact N-O 3.19Å; L177-G243 VanDerWaalsContact CD1-C 3.43Å; L177-G243 WeakPolarHBondContact CD1-O 3.36Å; A192-G243 WeakPolarHBondContact O-CA 3.29Å; S193-G243 WeakPolarHBondContact OG-CA 3.48Å
244	G	98.5	Very high	93.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.1	177.4	0	0	0	0	0	111.2	V172 S193 Y194 P203	V172-G244 WeakPolarHBondContact O-CA 3.43Å; S193-G244 WeakPolarHBondContact CA-O 3.31Å; S193-G244 WeakPolarHBondContact CB-O 3.33Å; S193-G244 PolarHBondContact OG-N 2.88Å; Y194-G244 PolarHBondContact N-O 2.85Å; Y194-G244 VanDerWaalsContact N-O 3.09Å; P203-G244 WeakPolarHBondContact CB-O 3.3Å
245	I	98.5	Very high	92.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	109.7	168.9	-56	-57.6	0	0	0	108.3	T171 V172 L173 D174 Y194 F196 M247 F263	T171-I245 HydrophobicContact CG2-CG1 4.46Å; V172-I245 PolarHBondContact O-N 3.01Å; L173-I245 HydrophobicContact CD2-CB 3.59Å; L173-I245 HydrophobicContact CD2-CG1 3.38Å; L173-I245 HydrophobicContact CD2-CG2 4.27Å; D174-I245 PolarHBondContact N-O 3.34Å; D174-I245 VanDerWaalsContact O-O 3.07Å; Y194-I245 CarbonylContact O-C 3.46Å; Y194-I245 VanDerWaalsContact O-CA 3.24Å; Y194-I245 WeakPolarHBondContact O-CA 3.28Å; F196-I245 HydrophobicContact CD2-CG2 3.41Å; F196-I245 VanDerWaalsContact CD2-CG2 3.41Å; F196-I245 HydrophobicContact CE2-CG2 3.63Å; I245-M247 HydrophobicContact CG2-CB 4.31Å; I245-M247 HydrophobicContact CG2-CG 4.24Å; I245-M247 PolarHBondContact O-N 2.8Å; I245-F263 HydrophobicContact CD1-CB 4.2Å; I245-F263 HydrophobicContact CD1-CD1 3.57Å; I245-F263 HydrophobicContact CD1-CD2 4.25Å; I245-F263 HydrophobicContact CD1-CE1 3.94Å; I245-F263 HydrophobicContact CD1-CG 3.73Å; I245-F263 HydrophobicContact CD1-CZ 4.42Å
246	R	98.1	Very high	92.1	Very high	15 Å²	15	34 Å²	34	6%	0.057	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	106.4	173.8	178.7	162.1	169.4	-116	-6.1	108.6	Y194 D195 F196 N197 D198 D249	Y194-R246 PolarHBondContact O-N 2.91Å; D195-R246 HydrophobicContact CB-CB 4.2Å; D195-R246 VanDerWaalsContact OD2-CD 3.26Å; D195-R246 WeakPolarHBondContact OD2-CD 3.29Å; D195-R246 IonicContact OD2-CZ 3.61Å; D195-R246 IonicContact OD2-NE 2.61Å; D195-R246 IonicContact OD2-NH1 3.62Å; D195-R246 PolarHBondContact OD2-NH1 2.95Å; F196-R246 PolarHBondContact N-O 2.88Å; N197-R246 PolarHBondContact N-O 3.22Å; N197-R246 VanDerWaalsContact OD1-C 3.31Å; N197-R246 WeakPolarHBondContact OD1-CG 3.48Å; N197-R246 PolarHBondContact OD1-O 3.02Å; D198-R246 IonicContact OD2-CZ 3.66Å; D198-R246 IonicContact OD2-NH1 3.65Å; D198-R246 PolarHBondContact OD2-NH1 3.44Å; D198-R246 IonicContact OD2-NH2 3.88Å; D198-R246 PolarHBondContact OD2-NH2 3.14Å; R246-D249 HydrophobicContact CG-CB 4.43Å; R246-D249 IonicContact CZ-OD2 2.7Å; R246-D249 IonicContact NE-OD2 2.81Å; R246-D249 PolarHBondContact NE-OD2 3.16Å; R246-D249 IonicContact NH2-OD2 3.5Å; R246-D249 PolarHBondContact NH2-OD2 2.83Å
247	M	93.8	Very high	91.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.			trans	-137.4	-17.9	-178.6	60.2	85.7	70.8	0	0	113.9	D174 N197 I245 V252 I256 E257 W275	D174-M247 PolarHBondContact O-N 3.18Å; N197-M247 PolarHBondContact ND2-O 3.12Å; N197-M247 WeakPolarHBondContact OD1-CA 3.28Å; N197-M247 PolarHBondContact OD1-N 2.89Å; N197-M247 PolarHBondContact OD1-O 2.91Å; I245-M247 HydrophobicContact CG2-CB 4.31Å; I245-M247 HydrophobicContact CG2-CG 4.24Å; I245-M247 PolarHBondContact O-N 2.8Å; M247-V252 HydrophobicContact CE-CG1 4.03Å; M247-V252 WeakPolarHBondContact O-CG2 3.48Å; M247-I256 HydrophobicContact CB-CG2 3.77Å; M247-I256 HydrophobicContact CE-CG2 4.31Å; M247-E257 HydrophobicContact CE-CG 4.02Å; M247-W275 HydrophobicContact CE-CH2 4.12Å; M247-W275 HydrophobicContact CE-CZ2 3.75Å; M247-W275 HydrophobicContact SD-CZ2 4.34Å
248	L	91.6	Very high	91.2	Very high	59 Å²	59	35.9 Å²	35.9	31%	0.309	21%	0.206	S	C	.	.	S	Bend	trans	-90.8	-13.2	-179.5	-61.7	-179.9	0	0	0	115.2	D174 D175 G250 V252 W275	D174-L248 HydrophobicContact CB-CD1 4.48Å; D174-L248 PolarHBondContact O-N 3.05Å; D175-L248 HydrophobicContact CB-CB 4.31Å; L248-G250 PolarHBondContact O-N 2.8Å; L248-V252 HydrophobicContact CD2-CG2 4.08Å; L248-W275 HydrophobicContact CD1-CB 4.03Å; L248-W275 HydrophobicContact CD1-CG 4.21Å; L248-W275 HydrophobicContact CD2-CB 4.06Å; L248-W275 HydrophobicContact CD2-CG 4.02Å
249	D	88.8	Confident	90.7	Very high	23 Å²	23	37 Å²	37	12%	0.123	22%	0.219	C	C	.	.	S	Bend	trans	-85.2	47.9	179.6	-173.4	28.8	0	0	0	111.4	N197 R206 N213 R246	N197-D249 PolarHBondContact OD1-N 2.93Å; N197-D249 VanDerWaalsContact OD1-N 3.17Å; R206-D249 VanDerWaalsContact CB-OD2 3.23Å; R206-D249 WeakPolarHBondContact CB-OD2 3.25Å; R206-D249 IonicContact CZ-OD1 2.7Å; R206-D249 IonicContact CZ-OD2 3.47Å; R206-D249 IonicContact NE-OD1 3.44Å; R206-D249 PolarHBondContact NE-OD1 3.01Å; R206-D249 IonicContact NE-OD2 3.98Å; R206-D249 PolarHBondContact NE-OD2 3.16Å; R206-D249 VanDerWaalsContact NE-OD2 3.15Å; R206-D249 IonicContact NH2-OD1 2.81Å; R206-D249 PolarHBondContact NH2-OD1 3.11Å; R206-D249 IonicContact NH2-OD2 3.48Å; N213-D249 PolarHBondContact ND2-OD1 2.93Å; N213-D249 VanDerWaalsContact ND2-OD1 3.09Å; N213-D249 PolarHBondContact ND2-OD2 2.93Å; N213-D249 VanDerWaalsContact ND2-OD2 3.1Å; N213-D249 WeakPolarHBondContact OD1-CB 3.49Å; N213-D249 PolarHBondContact OD1-OD1 3.19Å; R246-D249 HydrophobicContact CG-CB 4.43Å; R246-D249 IonicContact CZ-OD2 2.7Å; R246-D249 IonicContact NE-OD2 2.81Å; R246-D249 PolarHBondContact NE-OD2 3.16Å; R246-D249 IonicContact NH2-OD2 3.5Å; R246-D249 PolarHBondContact NH2-OD2 2.83Å
250	G	85.1	Confident	90.5	Very high	47 Å²	47	33.5 Å²	33.5	49%	0.485	20%	0.199	S	C	.	.	S	Bend	trans	172.7	-165.5	-175.6	0	0	0	0	0	114.1	L248 V252	L248-G250 PolarHBondContact O-N 2.8Å; G250-V252 PolarHBondContact O-N 2.95Å
251	I	79.7	Confident	90.3	Very high	144 Å²	144	33.5 Å²	33.5	74%	0.738	20%	0.199	S	C	*	.			trans	-73.5	114.8	176.2	-60.1	174.8	0	0	0	108.4	T253 I256	I251-T253 HydrophobicContact CG2-CG2 4.08Å; I251-I256 WeakPolarHBondContact O-CD1 3.35Å
252	V	83.3	Confident	90	Very high	54 Å²	54	30.8 Å²	30.8	33%	0.327	20%	0.195	S	C	.	.			trans	-84.3	132.3	173	-173.8	0	0	0	0	109.3	M247 L248 G250 E257	M247-V252 HydrophobicContact CE-CG1 4.03Å; M247-V252 WeakPolarHBondContact O-CG2 3.48Å; L248-V252 HydrophobicContact CD2-CG2 4.08Å; G250-V252 PolarHBondContact O-N 2.95Å; V252-E257 HydrophobicContact CG1-CG 3.59Å
253	T	82.2	Confident	89.9	Confident	62 Å²	62	32.4 Å²	32.4	38%	0.38	20%	0.202	S	C	.	.			trans	-131.8	158.9	176.4	65	0	0	0	0	109.4	I251 A255 I256 E257	I251-T253 HydrophobicContact CG2-CG2 4.08Å; T253-A255 PolarHBondContact O-N 3.09Å; T253-I256 WeakPolarHBondContact O-CA 3.45Å; T253-I256 WeakPolarHBondContact O-CB 3.38Å; T253-I256 PolarHBondContact O-N 3.27Å; T253-I256 PolarHBondContact OG1-N 2.89Å; T253-E257 PolarHBondContact O-N 3.16Å
254	D	83	Confident	89.8	Confident	45 Å²	45	35.4 Å²	35.4	24%	0.241	22%	0.218	C	C	.	.	H	α-helix	trans	-51.5	-33.7	175.5	-176.2	30.2	0	0	0	112.4	A258 G288 R289 L290 A291	D254-A258 WeakPolarHBondContact O-CB 3.24Å; D254-A258 PolarHBondContact O-N 3.08Å; D254-G288 VanDerWaalsContact OD1-C 3.24Å; D254-G288 VanDerWaalsContact OD1-CA 3.22Å; D254-G288 WeakPolarHBondContact OD1-CA 3.39Å; D254-R289 PolarHBondContact OD2-N 2.96Å; D254-L290 PolarHBondContact OD1-N 3.45Å; D254-L290 WeakPolarHBondContact OD2-CB 3.45Å; D254-L290 WeakPolarHBondContact OD2-CG 3.45Å; D254-L290 PolarHBondContact OD2-N 3Å; D254-A291 WeakPolarHBondContact OD1-CB 3.35Å; D254-A291 PolarHBondContact OD1-N 3.46Å
255	A	78.2	Confident	89.6	Confident	47 Å²	47	36.1 Å²	36.1	39%	0.388	22%	0.222	S	C	.	.	H	α-helix	trans	-70	-38.1	176	0	0	0	0	0	113.1	T253 S259 L290	T253-A255 PolarHBondContact O-N 3.09Å; A255-S259 VanDerWaalsContact O-CB 3.31Å; A255-S259 WeakPolarHBondContact O-CB 3.37Å; A255-S259 PolarHBondContact O-N 2.95Å; A255-S259 PolarHBondContact O-OG 3.37Å; A255-L290 HydrophobicContact CB-CD1 4.08Å
256	I	83.7	Confident	89.4	Confident	31 Å²	31	40.7 Å²	40.7	16%	0.159	25%	0.247	C	C	.	.	H	α-helix	trans	-70.1	-44.7	176.4	-72.2	170.1	0	0	0	109.8	F196 M247 I251 T253 S259 S260	F196-I256 HydrophobicContact CB-CG2 4Å; M247-I256 HydrophobicContact CB-CG2 3.77Å; M247-I256 HydrophobicContact CE-CG2 4.31Å; I251-I256 WeakPolarHBondContact O-CD1 3.35Å; T253-I256 WeakPolarHBondContact O-CA 3.45Å; T253-I256 WeakPolarHBondContact O-CB 3.38Å; T253-I256 PolarHBondContact O-N 3.27Å; T253-I256 PolarHBondContact OG1-N 2.89Å; I256-S259 PolarHBondContact O-N 3.49Å; I256-S260 WeakPolarHBondContact O-CB 2.92Å; I256-S260 PolarHBondContact O-N 2.78Å; I256-S260 PolarHBondContact O-OG 2.84Å
257	E	89.6	Confident	89.4	Confident	23 Å²	23	43.1 Å²	43.1	11%	0.107	26%	0.259	C	S	.	.	H	α-helix	trans	-58	-51	174.9	-67.9	171.3	158.5	0	0	110.8	M247 V252 T253 S259 S260 I261 W275 A291 Y329	M247-E257 HydrophobicContact CE-CG 4.02Å; V252-E257 HydrophobicContact CG1-CG 3.59Å; T253-E257 PolarHBondContact O-N 3.16Å; E257-S259 VanDerWaalsContact C-N 3.33Å; E257-S259 PolarHBondContact O-N 2.85Å; E257-S260 PolarHBondContact O-N 2.84Å; E257-I261 HydrophobicContact CB-CD1 4.48Å; E257-I261 WeakPolarHBondContact O-CB 3.36Å; E257-I261 WeakPolarHBondContact O-CD1 3.21Å; E257-I261 VanDerWaalsContact O-CG1 3.27Å; E257-I261 WeakPolarHBondContact O-CG1 3.45Å; E257-I261 PolarHBondContact O-N 3.45Å; E257-W275 HydrophobicContact CB-CH2 4.32Å; E257-W275 HydrophobicContact CG-CH2 4.08Å; E257-W275 HydrophobicContact CG-CZ3 4.19Å; E257-A291 HydrophobicContact CB-CB 4.09Å; E257-Y329 PolarHBondContact OE1-OH 3.23Å; E257-Y329 PolarHBondContact OE2-OH 2.87Å
258	A	88.9	Confident	89.6	Confident	16 Å²	16	43.1 Å²	43.1	13%	0.132	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-41.4	178.4	0	0	0	0	0	113	D254 S260 G262 L290 A294	D254-A258 WeakPolarHBondContact O-CB 3.24Å; D254-A258 PolarHBondContact O-N 3.08Å; A258-S260 VanDerWaalsContact C-N 3.32Å; A258-G262 PolarHBondContact O-N 2.97Å; A258-L290 HydrophobicContact CB-CB 3.53Å; A258-L290 WeakPolarHBondContact CB-O 3.26Å; A258-A294 HydrophobicContact CB-CB 4.11Å; A258-A294 WeakPolarHBondContact O-CB 3.37Å
259	S	88.8	Confident	89.9	Confident	55 Å²	55	41.7 Å²	41.7	39%	0.385	25%	0.251	S	S	.	.	H	α-helix	trans	-68.5	-34.6	178.8	-56.7	0	0	0	0	111.7	F196 A255 I256 E257 F263	F196-S259 VanDerWaalsContact CE1-CB 3.44Å; F196-S259 WeakPolarHBondContact CZ-O 3.33Å; A255-S259 VanDerWaalsContact O-CB 3.31Å; A255-S259 WeakPolarHBondContact O-CB 3.37Å; A255-S259 PolarHBondContact O-N 2.95Å; A255-S259 PolarHBondContact O-OG 3.37Å; I256-S259 PolarHBondContact O-N 3.49Å; E257-S259 VanDerWaalsContact C-N 3.33Å; E257-S259 PolarHBondContact O-N 2.85Å; S259-F263 WeakPolarHBondContact O-CB 3.38Å; S259-F263 PolarHBondContact O-N 2.82Å
260	S	94.2	Very high	90.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-71.5	-50.6	177.3	-55.6	0	0	0	0	111.7	F196 I256 E257 A258 G262 F263	F196-S260 WeakPolarHBondContact CD2-OG 3.5Å; I256-S260 WeakPolarHBondContact O-CB 2.92Å; I256-S260 PolarHBondContact O-N 2.78Å; I256-S260 PolarHBondContact O-OG 2.84Å; E257-S260 PolarHBondContact O-N 2.84Å; A258-S260 VanDerWaalsContact C-N 3.32Å; S260-G262 VanDerWaalsContact C-N 3.29Å; S260-G262 PolarHBondContact O-N 3.33Å; S260-F263 WeakPolarHBondContact O-CB 3.39Å; S260-F263 PolarHBondContact O-N 2.89Å
261	I	94.3	Very high	91.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-40	177	-68.1	162.7	0	0	0	110.7	L173 E257 F263 Y271 W275 A291 A294 F295 F310 W312	L173-I261 HydrophobicContact CD1-CG1 4.36Å; E257-I261 HydrophobicContact CB-CD1 4.48Å; E257-I261 WeakPolarHBondContact O-CB 3.36Å; E257-I261 WeakPolarHBondContact O-CD1 3.21Å; E257-I261 VanDerWaalsContact O-CG1 3.27Å; E257-I261 WeakPolarHBondContact O-CG1 3.45Å; E257-I261 PolarHBondContact O-N 3.45Å; I261-F263 VanDerWaalsContact C-N 3.33Å; I261-Y271 WeakPolarHBondContact O-CE1 3.24Å; I261-W275 HydrophobicContact CD1-CH2 4.16Å; I261-W275 HydrophobicContact CG1-CH2 4.46Å; I261-A291 HydrophobicContact CD1-CB 4.06Å; I261-A294 HydrophobicContact CB-CB 3.96Å; I261-A294 HydrophobicContact CG2-CB 3.76Å; I261-F295 HydrophobicContact CD1-CD2 4.28Å; I261-F295 HydrophobicContact CD1-CE1 4.19Å; I261-F295 HydrophobicContact CD1-CE2 3.67Å; I261-F295 HydrophobicContact CD1-CZ 3.62Å; I261-F295 HydrophobicContact CG1-CE1 4.34Å; I261-F295 HydrophobicContact CG1-CZ 4.19Å; I261-F295 HydrophobicContact CG2-CD1 3.68Å; I261-F295 HydrophobicContact CG2-CE1 3.81Å; I261-F295 HydrophobicContact CG2-CG 4.08Å; I261-F295 HydrophobicContact CG2-CZ 4.32Å; I261-F310 HydrophobicContact CG2-CD1 4.32Å; I261-F310 HydrophobicContact CG2-CE1 3.62Å; I261-F310 HydrophobicContact CG2-CZ 3.9Å; I261-W312 HydrophobicContact CG1-CH2 4.24Å
262	G	92.6	Very high	92	Very high	25 Å²	25	31.5 Å²	31.5	26%	0.258	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	12.6	-179.4	0	0	0	0	0	114.7	A258 S260 N264 P265	A258-G262 PolarHBondContact O-N 2.97Å; S260-G262 VanDerWaalsContact C-N 3.29Å; S260-G262 PolarHBondContact O-N 3.33Å; G262-N264 PolarHBondContact O-N 2.7Å; G262-P265 WeakPolarHBondContact O-CD 3.36Å
263	F	96.9	Very high	92.7	Very high	35 Å²	35	29 Å²	29	15%	0.154	17%	0.172	C	C	.	.	S	Bend	trans	-73	119.9	-173.5	-174.9	-97.6	0	0	0	112.1	A191 S193 Y194 F196 I245 S259 S260 I261 Y271	A191-F263 WeakPolarHBondContact O-CE1 3.32Å; S193-F263 WeakPolarHBondContact O-CZ 3.03Å; Y194-F263 HydrophobicContact CD2-CE2 4.05Å; Y194-F263 HydrophobicContact CD2-CZ 4.46Å; Y194-F263 AromaticContact CG-CE2 3.9Å; Y194-F263 HydrophobicContact CG-CE2 3.9Å; Y194-F263 HydrophobicContact CG-CZ 4.43Å; F196-F263 HydrophobicContact CE2-CD2 4.24Å; F196-F263 AromaticContact CZ-CD2 3.96Å; F196-F263 HydrophobicContact CZ-CD2 3.96Å; I245-F263 HydrophobicContact CD1-CB 4.2Å; I245-F263 HydrophobicContact CD1-CD1 3.57Å; I245-F263 HydrophobicContact CD1-CD2 4.25Å; I245-F263 HydrophobicContact CD1-CE1 3.94Å; I245-F263 HydrophobicContact CD1-CG 3.73Å; I245-F263 HydrophobicContact CD1-CZ 4.42Å; S259-F263 WeakPolarHBondContact O-CB 3.38Å; S259-F263 PolarHBondContact O-N 2.82Å; S260-F263 WeakPolarHBondContact O-CB 3.39Å; S260-F263 PolarHBondContact O-N 2.89Å; I261-F263 VanDerWaalsContact C-N 3.33Å; F263-Y271 WeakPolarHBondContact O-CE1 3.47Å; F263-Y271 PolarHBondContact O-OH 3.07Å
264	N	96.8	Very high	93.1	Very high	63 Å²	63	26.9 Å²	26.9	34%	0.337	16%	0.16	S	C	.	.	S	Bend	trans	42	56.7	174.4	-158.7	9.2	0	0	0	116.2	A191 G262 N266 H267 V268	A191-N264 PolarHBondContact O-ND2 2.92Å; G262-N264 PolarHBondContact O-N 2.7Å; N264-N266 PolarHBondContact O-N 3.18Å; N264-N266 VanDerWaalsContact O-N 3.1Å; N264-H267 HydrophobicContact CB-CB 4.48Å; N264-H267 VanDerWaalsContact CG-CB 3.5Å; N264-H267 VanDerWaalsContact ND2-CB 3.25Å; N264-H267 WeakPolarHBondContact ND2-CB 3.47Å; N264-H267 PolarHBondContact O-N 3.15Å; N264-V268 PolarHBondContact O-N 3.05Å
265	P	94.8	Very high	93.6	Very high	14 Å²	14	26 Å²	26	9%	0.091	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-5.4	-169	30.7	-35.8	0	0	0	115	G262 Y271 Y297 G302 R303	G262-P265 WeakPolarHBondContact O-CD 3.36Å; P265-Y271 WeakPolarHBondContact CA-OH 3.4Å; P265-Y297 HydrophobicContact CG-CD1 4.29Å; P265-Y297 HydrophobicContact CG-CE1 3.77Å; P265-G302 CarbonylContact O-C 3.48Å; P265-G302 VanDerWaalsContact O-CA 3.25Å; P265-G302 WeakPolarHBondContact O-CA 3.16Å; P265-R303 PolarHBondContact O-N 3Å
266	N	93.1	Very high	94.3	Very high	96 Å²	96	25.3 Å²	25.3	51%	0.513	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-13.5	171.6	-68.6	-28.2	0	0	0	112.8	N264	N264-N266 PolarHBondContact O-N 3.18Å; N264-N266 VanDerWaalsContact O-N 3.1Å
267	H	97.8	Very high	94.7	Very high	66 Å²	66	24.6 Å²	24.6	31%	0.306	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-43.7	179.6	-178.7	72.7	0	0	0	111.6	V169 D189 N264	V169-H267 WeakPolarHBondContact CB-O 3.16Å; D189-H267 IonicContact OD1-NE2 3.93Å; D189-H267 IonicContact OD2-CD2 2.7Å; D189-H267 IonicContact OD2-CE1 2.92Å; D189-H267 PolarHBondContact OD2-CE1 3.16Å; D189-H267 IonicContact OD2-NE2 3.64Å; D189-H267 PolarHBondContact OD2-NE2 2.82Å; N264-H267 HydrophobicContact CB-CB 4.48Å; N264-H267 VanDerWaalsContact CG-CB 3.5Å; N264-H267 VanDerWaalsContact ND2-CB 3.25Å; N264-H267 WeakPolarHBondContact ND2-CB 3.47Å; N264-H267 PolarHBondContact O-N 3.15Å
268	V	98.6	Very high	94.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.174	C	C	.	.			trans	-81.1	128.1	178.1	178.6	0	0	0	0	109.9	V169 T171 A192 N264 I270 Y271	V169-V268 HydrophobicContact CG1-CG2 4.41Å; T171-V268 HydrophobicContact CG2-CG1 3.68Å; T171-V268 HydrophobicContact CG2-CG2 4.48Å; A192-V268 HydrophobicContact CB-CG2 3.87Å; N264-V268 PolarHBondContact O-N 3.05Å; V268-I270 WeakPolarHBondContact CG1-O 3.49Å; V268-Y271 HydrophobicContact CB-CE1 4.32Å; V268-Y271 HydrophobicContact CB-CE2 4.13Å; V268-Y271 HydrophobicContact CG1-CD1 4.23Å; V268-Y271 HydrophobicContact CG1-CD2 4.03Å; V268-Y271 HydrophobicContact CG1-CE1 3.89Å; V268-Y271 HydrophobicContact CG1-CE2 3.64Å; V268-Y271 HydrophobicContact CG1-CG 4.29Å
269	D	98.8	Very high	94.8	Very high	29 Å²	29	30.8 Å²	30.8	16%	0.155	18%	0.18	C	C	.	.			trans	-88.4	-47.2	176.2	-66	-70.3	0	0	0	112.2	V168 V169 R303 I309 L403	V168-D269 HydrophobicContact CG1-CB 3.88Å; V169-D269 PolarHBondContact N-OD2 2.59Å; V169-D269 WeakPolarHBondContact O-CB 3.46Å; V169-D269 PolarHBondContact O-N 3.14Å; D269-R303 HydrophobicContact CB-CG 4.45Å; D269-R303 WeakPolarHBondContact O-CD 3.22Å; D269-R303 IonicContact OD1-CZ 3.56Å; D269-R303 IonicContact OD1-NE 2.75Å; D269-R303 PolarHBondContact OD1-NE 2.97Å; D269-I309 PolarHBondContact O-N 3.37Å; D269-I309 VanDerWaalsContact O-N 3.1Å; D269-L403 HydrophobicContact CB-CD1 3.92Å
270	I	98.9	Very high	95	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.1	-171	-56.1	169	0	0	0	109.8	V168 V169 I170 T171 V268 I309 V311 A396 F399 A400 L403	V168-I270 HydrophobicContact CG1-CD1 4.11Å; V169-I270 PolarHBondContact O-N 3.41Å; I170-I270 CarbonylContact C-O 3.57Å; I170-I270 VanDerWaalsContact CA-O 3.3Å; I170-I270 WeakPolarHBondContact CA-O 3.29Å; I170-I270 HydrophobicContact CB-CB 4.41Å; I170-I270 HydrophobicContact CG1-CB 3.93Å; I170-I270 HydrophobicContact CG1-CD1 4.09Å; I170-I270 HydrophobicContact CG1-CG1 4.44Å; I170-I270 HydrophobicContact CG2-CB 4.11Å; I170-I270 HydrophobicContact CG2-CG2 4.18Å; T171-I270 PolarHBondContact N-O 3.08Å; V268-I270 WeakPolarHBondContact CG1-O 3.49Å; I270-I309 CarbonylContact C-O 3.59Å; I270-I309 WeakPolarHBondContact CA-O 3.27Å; I270-I309 HydrophobicContact CG1-CB 4.14Å; I270-I309 HydrophobicContact CG1-CD1 4.32Å; I270-I309 HydrophobicContact CG1-CG2 4.31Å; I270-I309 HydrophobicContact CG2-CG2 4.24Å; I270-V311 HydrophobicContact CG2-CG2 3.79Å; I270-A396 HydrophobicContact CG2-CB 3.98Å; I270-F399 HydrophobicContact CD1-CB 3.91Å; I270-A400 HydrophobicContact CD1-CB 4.01Å; I270-L403 HydrophobicContact CD1-CD1 3.83Å; I270-L403 HydrophobicContact CG1-CD1 3.86Å
271	Y	98.9	Very high	94.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118.2	174.8	-61.7	-102.2	0	0	0	107.7	T171 L173 I261 F263 P265 V268 I309 F310 V311	T171-Y271 HydrophobicContact CG2-CD1 3.35Å; T171-Y271 HydrophobicContact CG2-CE1 3.77Å; T171-Y271 HydrophobicContact CG2-CG 4.02Å; L173-Y271 HydrophobicContact CD1-CD1 4.25Å; L173-Y271 HydrophobicContact CD2-CD1 4.23Å; I261-Y271 WeakPolarHBondContact O-CE1 3.24Å; F263-Y271 WeakPolarHBondContact O-CE1 3.47Å; F263-Y271 PolarHBondContact O-OH 3.07Å; P265-Y271 WeakPolarHBondContact CA-OH 3.4Å; V268-Y271 HydrophobicContact CB-CE1 4.32Å; V268-Y271 HydrophobicContact CB-CE2 4.13Å; V268-Y271 HydrophobicContact CG1-CD1 4.23Å; V268-Y271 HydrophobicContact CG1-CD2 4.03Å; V268-Y271 HydrophobicContact CG1-CE1 3.89Å; V268-Y271 HydrophobicContact CG1-CE2 3.64Å; V268-Y271 HydrophobicContact CG1-CG 4.29Å; Y271-I309 PolarHBondContact N-O 3.29Å; Y271-F310 HydrophobicContact CD1-CE1 4.28Å; Y271-F310 AromaticContact CD2-CD1 3.93Å; Y271-F310 HydrophobicContact CD2-CD1 3.93Å; Y271-F310 AromaticContact CD2-CE1 3.62Å; Y271-F310 HydrophobicContact CD2-CE1 3.62Å; Y271-F310 HydrophobicContact CD2-CZ 4.39Å; Y271-F310 HydrophobicContact CE2-CE1 4.14Å; Y271-F310 AromaticContact CG-CD1 3.85Å; Y271-F310 HydrophobicContact CG-CD1 3.85Å; Y271-F310 AromaticContact CG-CE1 3.72Å; Y271-F310 HydrophobicContact CG-CE1 3.72Å; Y271-V311 PolarHBondContact O-N 3.35Å
272	S	98.8	Very high	94.9	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.1	176.5	-172.8	0	0	0	0	109.1	T171 L173	T171-S272 PolarHBondContact O-N 2.83Å; L173-S272 PolarHBondContact N-O 2.81Å
273	A	97.1	Very high	94.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.2	178.5	0	0	0	0	0	110.9	L173 W275 V311 W312 A313	L173-A273 HydrophobicContact CB-CB 4.19Å; L173-A273 HydrophobicContact CD1-CB 4.42Å; A273-W275 HydrophobicContact CB-CZ2 4.45Å; A273-V311 PolarHBondContact N-O 3.46Å; A273-W312 HydrophobicContact CB-CD2 3.7Å; A273-W312 HydrophobicContact CB-CE3 3.69Å; A273-W312 HydrophobicContact CB-CH2 3.4Å; A273-W312 HydrophobicContact CB-CZ2 3.4Å; A273-W312 HydrophobicContact CB-CZ3 3.54Å; A273-W312 WeakPolarHBondContact O-CA 3.27Å; A273-A313 PolarHBondContact O-N 3.48Å; A273-A313 VanDerWaalsContact O-N 3.09Å
274	S	92.6	Very high	94.8	Very high	18 Å²	18	34.8 Å²	34.8	13%	0.126	19%	0.191	C	C	.	.			trans	-135.3	29.6	-175.6	-64.7	0	0	0	0	111.6	S389	S274-S389 WeakPolarHBondContact OG-CA 3.21Å; S274-S389 PolarHBondContact OG-O 2.87Å
275	W	92.9	Very high	94.6	Very high	26 Å²	26	36.6 Å²	36.6	10%	0.098	20%	0.197	C	C	.	.			trans	-122.8	160.6	179.1	51.4	-97.4	0	0	0	110.5	L173 M247 L248 E257 I261 A273 W312 Y329	L173-W275 HydrophobicContact CD1-CZ2 4.43Å; L173-W275 PolarHBondContact O-NE1 3.27Å; M247-W275 HydrophobicContact CE-CH2 4.12Å; M247-W275 HydrophobicContact CE-CZ2 3.75Å; M247-W275 HydrophobicContact SD-CZ2 4.34Å; L248-W275 HydrophobicContact CD1-CB 4.03Å; L248-W275 HydrophobicContact CD1-CG 4.21Å; L248-W275 HydrophobicContact CD2-CB 4.06Å; L248-W275 HydrophobicContact CD2-CG 4.02Å; E257-W275 HydrophobicContact CB-CH2 4.32Å; E257-W275 HydrophobicContact CG-CH2 4.08Å; E257-W275 HydrophobicContact CG-CZ3 4.19Å; I261-W275 HydrophobicContact CD1-CH2 4.16Å; I261-W275 HydrophobicContact CG1-CH2 4.46Å; A273-W275 HydrophobicContact CB-CZ2 4.45Å; W275-W312 HydrophobicContact CD2-CZ2 4.1Å; W275-W312 AromaticContact CE2-CZ2 3.77Å; W275-W312 HydrophobicContact CE3-CZ2 4.12Å; W275-W312 AromaticContact CH2-CH2 3.97Å; W275-W312 HydrophobicContact CH2-CH2 3.97Å; W275-W312 AromaticContact CH2-CZ2 3.56Å; W275-W312 HydrophobicContact CH2-CZ2 3.56Å; W275-W312 AromaticContact CZ2-CH2 3.72Å; W275-W312 HydrophobicContact CZ2-CH2 3.72Å; W275-W312 AromaticContact CZ2-CZ2 3.5Å; W275-W312 HydrophobicContact CZ2-CZ2 3.5Å; W275-W312 AromaticContact CZ3-CZ2 3.88Å; W275-W312 HydrophobicContact CZ3-CZ2 3.88Å; W275-W312 PolarHBondContact O-NE1 2.87Å; W275-Y329 HydrophobicContact CH2-CD1 4.29Å; W275-Y329 AromaticContact CH2-CE1 3.95Å; W275-Y329 HydrophobicContact CH2-CE1 3.95Å; W275-Y329 AromaticContact CZ3-CD1 3.86Å; W275-Y329 HydrophobicContact CZ3-CD1 3.86Å; W275-Y329 AromaticContact CZ3-CE1 3.51Å; W275-Y329 HydrophobicContact CZ3-CE1 3.51Å; W275-Y329 HydrophobicContact CZ3-CE2 4.25Å; W275-Y329 HydrophobicContact CZ3-CG 4.4Å; W275-Y329 AromaticContact CZ3-CZ 3.71Å
276	G	93.1	Very high	94.5	Very high	33 Å²	33	36.9 Å²	36.9	34%	0.34	20%	0.203	S	C	.	.			trans	-175.1	-162.5	-178.6	0	0	0	0	0	109.1
277	P	90.8	Very high	94.4	Very high	17 Å²	17	33.7 Å²	33.7	11%	0.11	19%	0.187	C	C	.	.	S	Bend	trans	-59.1	173.9	169.6	-19.5	34.2	0	0	0	112.1	D279 T283 E285 D327	P277-D279 PolarHBondContact O-N 3.01Å; P277-T283 HydrophobicContact CB-CG2 3.72Å; P277-E285 HydrophobicContact CB-CB 3.97Å; P277-E285 HydrophobicContact CG-CB 3.77Å; P277-E285 HydrophobicContact CG-CG 4.31Å; P277-E285 VanDerWaalsContact CG-O 3.28Å; P277-E285 WeakPolarHBondContact CG-O 3.23Å; P277-D327 VanDerWaalsContact CD-OD1 3.24Å; P277-D327 WeakPolarHBondContact CD-OD1 3.11Å; P277-D327 WeakPolarHBondContact CD-OD2 3.43Å; P277-D327 HydrophobicContact CG-CB 4.28Å
278	N	88.1	Confident	93.7	Very high	119 Å²	119	31.8 Å²	31.8	64%	0.636	19%	0.186	S	C	*	.			trans	-68.3	123.6	175.4	-65.3	-53.4	0	0	0	111.3	D280 T283	N278-D280 HydrophobicContact CB-CB 4.45Å; N278-D280 PolarHBondContact O-N 3.12Å; N278-T283 WeakPolarHBondContact O-CB 3.08Å; N278-T283 PolarHBondContact O-OG1 2.84Å
279	D	93.4	Very high	93.2	Very high	50 Å²	50	40.5 Å²	40.5	27%	0.267	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	48.6	174.1	-63.7	-10.8	0	0	0	113.5	P277 N316	P277-D279 PolarHBondContact O-N 3.01Å; D279-N316 WeakPolarHBondContact OD2-CA 3.36Å; D279-N316 WeakPolarHBondContact OD2-CB 3.41Å; D279-N316 PolarHBondContact OD2-N 2.95Å
280	D	91.8	Very high	92.3	Very high	51 Å²	51	43 Å²	43	27%	0.273	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-3.1	-170.9	79.6	-23.7	0	0	0	114.4	N278 K282 T283 D322 R548	N278-D280 HydrophobicContact CB-CB 4.45Å; N278-D280 PolarHBondContact O-N 3.12Å; D280-K282 VanDerWaalsContact C-N 3.34Å; D280-K282 WeakPolarHBondContact OD1-CA 3.35Å; D280-K282 WeakPolarHBondContact OD1-CB 3.13Å; D280-K282 PolarHBondContact OD1-N 2.74Å; D280-T283 PolarHBondContact OD1-N 3.06Å; D280-T283 PolarHBondContact OD1-OG1 3.33Å; D280-D322 PolarHBondContact N-OD2 2.92Å; D280-R548 WeakPolarHBondContact O-CD 3.43Å
281	G	93.2	Very high	91.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	17.1	-174.7	0	0	0	0	0	113.6	D322 D549	G281-D322 VanDerWaalsContact CA-CG 3.41Å; G281-D322 WeakPolarHBondContact CA-OD2 3.33Å; G281-D322 PolarHBondContact N-OD2 3.47Å; G281-D549 PolarHBondContact O-N 2.79Å
282	K	94.1	Very high	91.4	Very high	88 Å²	88	47.3 Å²	47.3	38%	0.383	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.3	-36.3	-172.5	-43.4	-175.8	-176.5	161.6	0	113.5	D280 R525 R546 R548 D549	D280-K282 VanDerWaalsContact C-N 3.34Å; D280-K282 WeakPolarHBondContact OD1-CA 3.35Å; D280-K282 WeakPolarHBondContact OD1-CB 3.13Å; D280-K282 PolarHBondContact OD1-N 2.74Å; K282-R525 PolarHBondContact O-NH2 2.91Å; K282-R546 PolarHBondContact O-NH2 3.05Å; K282-R548 HydrophobicContact CD-CB 4.21Å; K282-R548 VanDerWaalsContact CD-O 3.27Å; K282-R548 WeakPolarHBondContact CD-O 3.35Å; K282-R548 VanDerWaalsContact CE-O 3.27Å; K282-R548 WeakPolarHBondContact CE-O 3.49Å; K282-R548 HydrophobicContact CG-CB 3.68Å; K282-R548 WeakPolarHBondContact CG-O 3.48Å; K282-D549 HydrophobicContact CB-CB 4.43Å
283	T	92.5	Very high	91	Very high	30 Å²	30	52.4 Å²	52.4	18%	0.184	27%	0.273	C	S	.	.			trans	-66.5	143.3	-174.7	-53	0	0	0	0	110.1	P277 N278 D280 E285 R546	P277-T283 HydrophobicContact CB-CG2 3.72Å; N278-T283 WeakPolarHBondContact O-CB 3.08Å; N278-T283 PolarHBondContact O-OG1 2.84Å; D280-T283 PolarHBondContact OD1-N 3.06Å; D280-T283 PolarHBondContact OD1-OG1 3.33Å; T283-E285 HydrophobicContact CG2-CB 4.1Å; T283-R546 PolarHBondContact O-NH1 3.34Å; T283-R546 PolarHBondContact O-NH2 3.41Å
284	V	94.8	Very high	90.8	Very high	30 Å²	30	52.9 Å²	52.9	18%	0.182	28%	0.277	C	S	.	.			trans	-136.8	109.4	168.6	174.4	0	0	0	0	104.7	C326 R525 F555 W558	V284-C326 WeakPolarHBondContact CA-O 3.38Å; V284-C326 HydrophobicContact CG2-CB 3.95Å; V284-R525 VanDerWaalsContact CG2-NH2 3.32Å; V284-F555 HydrophobicContact CG1-CD1 4.2Å; V284-F555 HydrophobicContact CG1-CE1 3.97Å; V284-F555 HydrophobicContact CG2-CE1 3.84Å; V284-F555 HydrophobicContact CG2-CZ 4.41Å; V284-W558 HydrophobicContact CG1-CD2 3.73Å; V284-W558 HydrophobicContact CG1-CE3 3.57Å; V284-W558 HydrophobicContact CG1-CH2 3.66Å; V284-W558 HydrophobicContact CG1-CZ2 3.83Å; V284-W558 HydrophobicContact CG1-CZ3 3.53Å
285	E	93	Very high	91	Very high	100 Å²	100	52 Å²	52	47%	0.467	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-157.2	150.6	-173.4	179.1	175.2	173.5	0	0	108.6	P277 T283 C326 G328 W558	P277-E285 HydrophobicContact CB-CB 3.97Å; P277-E285 HydrophobicContact CG-CB 3.77Å; P277-E285 HydrophobicContact CG-CG 4.31Å; P277-E285 VanDerWaalsContact CG-O 3.28Å; P277-E285 WeakPolarHBondContact CG-O 3.23Å; T283-E285 HydrophobicContact CG2-CB 4.1Å; E285-C326 PolarHBondContact N-O 3.31Å; E285-G328 PolarHBondContact O-N 3.37Å; E285-W558 WeakPolarHBondContact O-CH2 3.23Å
286	G	92	Very high	91.1	Very high	21 Å²	21	54.4 Å²	54.4	22%	0.216	28%	0.284	C	S	.	.			trans	-148.6	-176.2	179.4	0	0	0	0	0	110.1	G288	G286-G288 PolarHBondContact O-N 3.26Å
287	P	90.8	Very high	91.2	Very high	28 Å²	28	58.7 Å²	58.7	18%	0.182	29%	0.291	C	S	.	.			trans	-55.9	134.9	-178.2	22.5	-33.3	0	0	0	111.4	A291 F295 G328 Y329	P287-A291 HydrophobicContact CB-CB 3.68Å; P287-F295 HydrophobicContact CB-CE2 4.26Å; P287-F295 HydrophobicContact CG-CE2 4.44Å; P287-G328 VanDerWaalsContact CD-C 3.41Å; P287-G328 VanDerWaalsContact CD-O 3.29Å; P287-G328 WeakPolarHBondContact CD-O 3.44Å; P287-Y329 HydrophobicContact CB-CD1 4.26Å; P287-Y329 HydrophobicContact CB-CE1 3.74Å; P287-Y329 HydrophobicContact CG-CE1 4.48Å
288	G	84.1	Confident	91.5	Very high	26 Å²	26	57.9 Å²	57.9	27%	0.268	29%	0.285	S	S	.	.			trans	-64.2	179.2	168.5	0	0	0	0	0	112	D254 G286 L290 A291 Q292	D254-G288 VanDerWaalsContact OD1-C 3.24Å; D254-G288 VanDerWaalsContact OD1-CA 3.22Å; D254-G288 WeakPolarHBondContact OD1-CA 3.39Å; G286-G288 PolarHBondContact O-N 3.26Å; G288-L290 VanDerWaalsContact C-N 3.25Å; G288-L290 PolarHBondContact O-N 3.42Å; G288-A291 PolarHBondContact O-N 2.9Å; G288-Q292 WeakPolarHBondContact O-CB 3.31Å; G288-Q292 PolarHBondContact O-N 3.27Å
289	R	86.8	Confident	91.8	Very high	183 Å²	183	53.1 Å²	53.1	69%	0.691	26%	0.26	S	S	*	.	H	α-helix	trans	-62.1	-35.5	-175.6	-178.3	-178.1	179.5	-164.4	0.4	111.9	D254 K293	D254-R289 PolarHBondContact OD2-N 2.96Å; R289-K293 WeakPolarHBondContact O-CG 3.36Å; R289-K293 PolarHBondContact O-N 3.26Å
290	L	81.6	Confident	91.9	Very high	81 Å²	81	56 Å²	56	42%	0.424	27%	0.271	S	S	.	.	H	α-helix	trans	-76.8	-45.1	-179.1	-58.4	176.8	0	0	0	110.3	D254 A255 A258 G288 Q292 K293 A294	D254-L290 PolarHBondContact OD1-N 3.45Å; D254-L290 WeakPolarHBondContact OD2-CB 3.45Å; D254-L290 WeakPolarHBondContact OD2-CG 3.45Å; D254-L290 PolarHBondContact OD2-N 3Å; A255-L290 HydrophobicContact CB-CD1 4.08Å; A258-L290 HydrophobicContact CB-CB 3.53Å; A258-L290 WeakPolarHBondContact CB-O 3.26Å; G288-L290 VanDerWaalsContact C-N 3.25Å; G288-L290 PolarHBondContact O-N 3.42Å; L290-Q292 VanDerWaalsContact C-N 3.33Å; L290-Q292 PolarHBondContact O-N 3.49Å; L290-K293 WeakPolarHBondContact O-CB 3.35Å; L290-K293 PolarHBondContact O-N 2.66Å; L290-A294 PolarHBondContact O-N 3.31Å
291	A	88	Confident	92.1	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-42.7	177	0	0	0	0	0	111.6	D254 E257 I261 P287 G288 K293 A294 F295	D254-A291 WeakPolarHBondContact OD1-CB 3.35Å; D254-A291 PolarHBondContact OD1-N 3.46Å; E257-A291 HydrophobicContact CB-CB 4.09Å; I261-A291 HydrophobicContact CD1-CB 4.06Å; P287-A291 HydrophobicContact CB-CB 3.68Å; G288-A291 PolarHBondContact O-N 2.9Å; A291-K293 VanDerWaalsContact C-N 3.34Å; A291-K293 PolarHBondContact O-N 2.93Å; A291-A294 WeakPolarHBondContact O-CB 3.46Å; A291-A294 PolarHBondContact O-N 3.41Å; A291-A294 VanDerWaalsContact O-N 3.07Å; A291-F295 WeakPolarHBondContact O-CD2 3.46Å; A291-F295 PolarHBondContact O-N 3.21Å
292	Q	90.8	Very high	92.2	Very high	91 Å²	91	58 Å²	58	43%	0.425	28%	0.279	S	S	.	.	H	α-helix	trans	-59.4	-43.5	174.7	-172.2	173.3	42.4	0	0	112	G288 L290 A294 F295 E296	G288-Q292 WeakPolarHBondContact O-CB 3.31Å; G288-Q292 PolarHBondContact O-N 3.27Å; L290-Q292 VanDerWaalsContact C-N 3.33Å; L290-Q292 PolarHBondContact O-N 3.49Å; Q292-A294 VanDerWaalsContact C-N 3.31Å; Q292-A294 PolarHBondContact O-N 2.91Å; Q292-F295 PolarHBondContact O-N 3.32Å; Q292-E296 WeakPolarHBondContact O-CG 3.29Å; Q292-E296 PolarHBondContact O-N 3.49Å
293	K	89.1	Confident	92.4	Very high	108 Å²	108	54.3 Å²	54.3	47%	0.47	26%	0.263	S	S	.	.	H	α-helix	trans	-65.1	-33.5	174.2	-78.6	-177.3	171.1	-164.9	0	113.1	R289 L290 A291 E296 Y297	R289-K293 WeakPolarHBondContact O-CG 3.36Å; R289-K293 PolarHBondContact O-N 3.26Å; L290-K293 WeakPolarHBondContact O-CB 3.35Å; L290-K293 PolarHBondContact O-N 2.66Å; A291-K293 VanDerWaalsContact C-N 3.34Å; A291-K293 PolarHBondContact O-N 2.93Å; K293-E296 PolarHBondContact O-N 2.95Å; K293-Y297 VanDerWaalsContact O-CB 3.3Å; K293-Y297 WeakPolarHBondContact O-CB 3.39Å; K293-Y297 PolarHBondContact O-N 2.95Å
294	A	93.9	Very high	92.5	Very high	10 Å²	10	59.3 Å²	59.3	8%	0.083	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-42	176.6	0	0	0	0	0	111	A258 I261 L290 A291 Q292 Y297 G298	A258-A294 HydrophobicContact CB-CB 4.11Å; A258-A294 WeakPolarHBondContact O-CB 3.37Å; I261-A294 HydrophobicContact CB-CB 3.96Å; I261-A294 HydrophobicContact CG2-CB 3.76Å; L290-A294 PolarHBondContact O-N 3.31Å; A291-A294 WeakPolarHBondContact O-CB 3.46Å; A291-A294 PolarHBondContact O-N 3.41Å; A291-A294 VanDerWaalsContact O-N 3.07Å; Q292-A294 VanDerWaalsContact C-N 3.31Å; Q292-A294 PolarHBondContact O-N 2.91Å; A294-Y297 PolarHBondContact O-N 3.48Å; A294-G298 PolarHBondContact O-N 2.94Å
295	F	96.5	Very high	92.6	Very high	1 Å²	1	60 Å²	60	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-60.1	-49.4	171.4	-74.9	-59.6	0	0	0	112	I261 P287 A291 Q292 Y297 G298 I299 F310 W312 Y329 F334 T335	I261-F295 HydrophobicContact CD1-CD2 4.28Å; I261-F295 HydrophobicContact CD1-CE1 4.19Å; I261-F295 HydrophobicContact CD1-CE2 3.67Å; I261-F295 HydrophobicContact CD1-CZ 3.62Å; I261-F295 HydrophobicContact CG1-CE1 4.34Å; I261-F295 HydrophobicContact CG1-CZ 4.19Å; I261-F295 HydrophobicContact CG2-CD1 3.68Å; I261-F295 HydrophobicContact CG2-CE1 3.81Å; I261-F295 HydrophobicContact CG2-CG 4.08Å; I261-F295 HydrophobicContact CG2-CZ 4.32Å; P287-F295 HydrophobicContact CB-CE2 4.26Å; P287-F295 HydrophobicContact CG-CE2 4.44Å; A291-F295 WeakPolarHBondContact O-CD2 3.46Å; A291-F295 PolarHBondContact O-N 3.21Å; Q292-F295 PolarHBondContact O-N 3.32Å; F295-Y297 VanDerWaalsContact C-N 3.31Å; F295-Y297 PolarHBondContact O-N 2.84Å; F295-G298 PolarHBondContact O-N 3.31Å; F295-I299 VanDerWaalsContact O-CG1 3.29Å; F295-I299 WeakPolarHBondContact O-CG1 3.46Å; F295-I299 PolarHBondContact O-N 2.94Å; F295-F310 HydrophobicContact CD1-CD1 4.1Å; F295-F310 AromaticContact CD1-CD2 3.72Å; F295-F310 HydrophobicContact CD1-CD2 3.72Å; F295-F310 HydrophobicContact CD1-CE1 4.23Å; F295-F310 AromaticContact CD1-CE2 3.82Å; F295-F310 HydrophobicContact CD1-CE2 3.82Å; F295-F310 AromaticContact CD1-CG 3.87Å; F295-F310 HydrophobicContact CD1-CG 3.87Å; F295-F310 HydrophobicContact CD1-CZ 4.08Å; F295-F310 HydrophobicContact CE1-CB 4.16Å; F295-F310 AromaticContact CE1-CD1 3.89Å; F295-F310 HydrophobicContact CE1-CD1 3.89Å; F295-F310 HydrophobicContact CE1-CD2 4.14Å; F295-F310 HydrophobicContact CE1-CE1 4.34Å; F295-F310 AromaticContact CE1-CG 3.79Å; F295-F310 HydrophobicContact CE1-CG 3.79Å; F295-W312 HydrophobicContact CE1-CH2 4.16Å; F295-W312 AromaticContact CE1-CZ3 3.88Å; F295-W312 HydrophobicContact CE1-CZ3 3.88Å; F295-W312 AromaticContact CZ-CH2 3.81Å; F295-W312 HydrophobicContact CZ-CH2 3.81Å; F295-W312 HydrophobicContact CZ-CZ2 4.36Å; F295-W312 AromaticContact CZ-CZ3 3.94Å; F295-W312 HydrophobicContact CZ-CZ3 3.94Å; F295-Y329 AromaticContact CE2-CD1 3.99Å; F295-Y329 HydrophobicContact CE2-CD1 3.99Å; F295-Y329 HydrophobicContact CE2-CE1 4.39Å; F295-Y329 HydrophobicContact CZ-CD1 4.16Å; F295-F334 HydrophobicContact CB-CB 4.27Å; F295-F334 HydrophobicContact CB-CD2 3.69Å; F295-F334 HydrophobicContact CB-CE2 4.44Å; F295-F334 HydrophobicContact CB-CG 4.28Å; F295-F334 HydrophobicContact CD1-CB 4.44Å; F295-F334 HydrophobicContact CG-CD2 4.47Å; F295-T335 HydrophobicContact CE1-CG2 3.78Å; F295-T335 HydrophobicContact CZ-CG2 3.98Å
296	E	94.6	Very high	92.8	Very high	76 Å²	76	57.8 Å²	57.8	36%	0.355	29%	0.291	S	S	.	.	H	α-helix	trans	-58.7	-41.8	177.5	-72.2	175.9	-179.8	0	0	112.3	Q292 K293 I299 Q300 F334	Q292-E296 WeakPolarHBondContact O-CG 3.29Å; Q292-E296 PolarHBondContact O-N 3.49Å; K293-E296 PolarHBondContact O-N 2.95Å; E296-I299 WeakPolarHBondContact O-CG1 3.38Å; E296-Q300 VanDerWaalsContact O-CB 3.3Å; E296-Q300 WeakPolarHBondContact O-CB 3.38Å; E296-Q300 WeakPolarHBondContact O-CG 3.4Å; E296-Q300 PolarHBondContact O-N 3.38Å; E296-F334 HydrophobicContact CG-CE2 4.01Å; E296-F334 HydrophobicContact CG-CZ 4.15Å
297	Y	95.2	Very high	93.1	Very high	123 Å²	123	56.8 Å²	56.8	48%	0.482	28%	0.28	S	S	.	.	H	α-helix	trans	-66	-44.8	176.2	-176.5	-90.9	0	0	0	111.3	P265 K293 A294 F295 Q300 Q301	P265-Y297 HydrophobicContact CG-CD1 4.29Å; P265-Y297 HydrophobicContact CG-CE1 3.77Å; K293-Y297 VanDerWaalsContact O-CB 3.3Å; K293-Y297 WeakPolarHBondContact O-CB 3.39Å; K293-Y297 PolarHBondContact O-N 2.95Å; A294-Y297 PolarHBondContact O-N 3.48Å; F295-Y297 VanDerWaalsContact C-N 3.31Å; F295-Y297 PolarHBondContact O-N 2.84Å; Y297-Q300 PolarHBondContact O-N 3.14Å; Y297-Q301 HydrophobicContact CD1-CB 4.39Å; Y297-Q301 HydrophobicContact CD2-CB 4.45Å; Y297-Q301 HydrophobicContact CD2-CG 3.91Å; Y297-Q301 HydrophobicContact CE1-CB 4.04Å; Y297-Q301 HydrophobicContact CE1-CG 4.49Å; Y297-Q301 HydrophobicContact CE2-CB 4.11Å; Y297-Q301 HydrophobicContact CE2-CG 3.68Å; Y297-Q301 HydrophobicContact CG-CG 4.43Å; Y297-Q301 WeakPolarHBondContact O-CB 3.45Å; Y297-Q301 PolarHBondContact O-N 3.16Å
298	G	96.4	Very high	93.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.4	-49.8	178.3	0	0	0	0	0	112.3	A294 F295 Q300 G302 G307 S308	A294-G298 PolarHBondContact O-N 2.94Å; F295-G298 PolarHBondContact O-N 3.31Å; G298-Q300 VanDerWaalsContact C-N 3.3Å; G298-Q300 PolarHBondContact O-N 3.2Å; G298-G302 VanDerWaalsContact O-CA 3.26Å; G298-G302 WeakPolarHBondContact O-CA 3.14Å; G298-G302 PolarHBondContact O-N 3.15Å; G298-G307 WeakPolarHBondContact O-CA 3.3Å; G298-S308 PolarHBondContact O-N 2.97Å; G298-S308 PolarHBondContact O-OG 3.28Å
299	I	95.9	Very high	94.2	Very high	19 Å²	19	54.3 Å²	54.3	10%	0.097	26%	0.26	C	S	.	.	H	α-helix	trans	-71.6	-20.9	-179.7	63.1	102.7	0	0	0	113.8	F295 E296 G307 F310 F334 W411	F295-I299 VanDerWaalsContact O-CG1 3.29Å; F295-I299 WeakPolarHBondContact O-CG1 3.46Å; F295-I299 PolarHBondContact O-N 2.94Å; E296-I299 WeakPolarHBondContact O-CG1 3.38Å; I299-G307 VanDerWaalsContact O-CA 3.28Å; I299-G307 WeakPolarHBondContact O-CA 3.39Å; I299-F310 HydrophobicContact CG2-CD2 4.26Å; I299-F310 HydrophobicContact CG2-CE2 3.98Å; I299-F334 HydrophobicContact CB-CD1 4.42Å; I299-F334 HydrophobicContact CD1-CD1 4.07Å; I299-F334 HydrophobicContact CD1-CE1 3.75Å; I299-F334 HydrophobicContact CG1-CD1 3.8Å; I299-F334 HydrophobicContact CG1-CE1 3.91Å; I299-F334 HydrophobicContact CG1-CG 4.42Å; I299-F334 HydrophobicContact CG2-CB 4.02Å; I299-F334 HydrophobicContact CG2-CD1 4Å; I299-F334 HydrophobicContact CG2-CG 4.23Å; I299-W411 HydrophobicContact CB-CD2 4.26Å; I299-W411 HydrophobicContact CB-CG 4.3Å; I299-W411 HydrophobicContact CD1-CZ2 4.13Å; I299-W411 HydrophobicContact CG2-CD2 4.14Å; I299-W411 HydrophobicContact CG2-CG 4.26Å
300	Q	95.1	Very high	94.8	Very high	110 Å²	110	45.7 Å²	45.7	51%	0.514	23%	0.227	S	C	.	.	H	α-helix	trans	-92.7	-38.3	178.4	-71	174.4	15.3	0	0	114	E296 Y297 G298 G305	E296-Q300 VanDerWaalsContact O-CB 3.3Å; E296-Q300 WeakPolarHBondContact O-CB 3.38Å; E296-Q300 WeakPolarHBondContact O-CG 3.4Å; E296-Q300 PolarHBondContact O-N 3.38Å; Y297-Q300 PolarHBondContact O-N 3.14Å; G298-Q300 VanDerWaalsContact C-N 3.3Å; G298-Q300 PolarHBondContact O-N 3.2Å; Q300-G305 WeakPolarHBondContact O-CA 3.3Å
301	Q	94.9	Very high	95.6	Very high	94 Å²	94	41.8 Å²	41.8	44%	0.439	21%	0.207	S	C	.	.	H	α-helix	trans	-115	-27.9	-169.6	-56.1	-57.2	-48.3	0	0	112.7	Y297 G305	Y297-Q301 HydrophobicContact CD1-CB 4.39Å; Y297-Q301 HydrophobicContact CD2-CB 4.45Å; Y297-Q301 HydrophobicContact CD2-CG 3.91Å; Y297-Q301 HydrophobicContact CE1-CB 4.04Å; Y297-Q301 HydrophobicContact CE1-CG 4.49Å; Y297-Q301 HydrophobicContact CE2-CB 4.11Å; Y297-Q301 HydrophobicContact CE2-CG 3.68Å; Y297-Q301 HydrophobicContact CG-CG 4.43Å; Y297-Q301 WeakPolarHBondContact O-CB 3.45Å; Y297-Q301 PolarHBondContact O-N 3.16Å; Q301-G305 PolarHBondContact O-N 2.95Å; Q301-G305 VanDerWaalsContact O-N 3.07Å
302	G	96.6	Very high	96.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.1	152	-178.4	0	0	0	0	0	112.6	P265 G298 N304 G305 K306 G307	P265-G302 CarbonylContact O-C 3.48Å; P265-G302 VanDerWaalsContact O-CA 3.25Å; P265-G302 WeakPolarHBondContact O-CA 3.16Å; G298-G302 VanDerWaalsContact O-CA 3.26Å; G298-G302 WeakPolarHBondContact O-CA 3.14Å; G298-G302 PolarHBondContact O-N 3.15Å; G302-N304 PolarHBondContact O-N 2.64Å; G302-G305 PolarHBondContact O-N 2.86Å; G302-K306 PolarHBondContact O-N 2.95Å; G302-G307 WeakPolarHBondContact O-CA 3.39Å; G302-G307 PolarHBondContact O-N 3.45Å
303	R	97.3	Very high	96.5	Very high	10 Å²	10	37.7 Å²	37.7	4%	0.038	19%	0.189	C	C	.	.	H	α-helix	trans	51.3	43.1	-178.3	-59.9	178.7	64.6	-123.1	-7.2	112.5	P265 D269 G305 K306 G307 P407 L409	P265-R303 PolarHBondContact O-N 3Å; D269-R303 HydrophobicContact CB-CG 4.45Å; D269-R303 WeakPolarHBondContact O-CD 3.22Å; D269-R303 IonicContact OD1-CZ 3.56Å; D269-R303 IonicContact OD1-NE 2.75Å; D269-R303 PolarHBondContact OD1-NE 2.97Å; R303-G305 VanDerWaalsContact C-N 3.34Å; R303-G305 PolarHBondContact O-N 2.83Å; R303-K306 HydrophobicContact CB-CB 4.04Å; R303-K306 WeakPolarHBondContact O-CB 3.49Å; R303-K306 WeakPolarHBondContact O-CG 3.41Å; R303-K306 PolarHBondContact O-N 2.96Å; R303-G307 WeakPolarHBondContact CD-O 3.28Å; R303-P407 PolarHBondContact NH2-O 2.77Å; R303-L409 PolarHBondContact NH1-O 3.49Å
304	N	95.7	Very high	96.8	Very high	134 Å²	134	32.6 Å²	32.6	72%	0.717	17%	0.166	S	C	*	.	H	α-helix	trans	58	41.5	-177.1	-54.2	-62.2	0	0	0	113.4	G302	G302-N304 PolarHBondContact O-N 2.64Å
305	G	96.4	Very high	96.8	Very high	46 Å²	46	32.3 Å²	32.3	47%	0.474	17%	0.165	S	C	.	.	H	α-helix	trans	85.6	0.9	179.4	0	0	0	0	0	115.5	Q300 Q301 G302 R303 G307	Q300-G305 WeakPolarHBondContact O-CA 3.3Å; Q301-G305 PolarHBondContact O-N 2.95Å; Q301-G305 VanDerWaalsContact O-N 3.07Å; G302-G305 PolarHBondContact O-N 2.86Å; R303-G305 VanDerWaalsContact C-N 3.34Å; R303-G305 PolarHBondContact O-N 2.83Å; G305-G307 VanDerWaalsContact C-N 3.25Å
306	K	97.9	Very high	96.7	Very high	52 Å²	52	34.3 Å²	34.3	23%	0.226	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-20.4	170.9	-61.9	171.4	-176.2	175.2	0	112	G302 R303 P407 D408 T410 W411	G302-K306 PolarHBondContact O-N 2.95Å; R303-K306 HydrophobicContact CB-CB 4.04Å; R303-K306 WeakPolarHBondContact O-CB 3.49Å; R303-K306 WeakPolarHBondContact O-CG 3.41Å; R303-K306 PolarHBondContact O-N 2.96Å; K306-P407 WeakPolarHBondContact CD-O 3.44Å; K306-P407 PolarHBondContact NZ-O 3.28Å; K306-D408 VanDerWaalsContact CE-OD1 3.3Å; K306-D408 WeakPolarHBondContact CE-OD1 3.31Å; K306-D408 IonicContact NZ-OD1 3.55Å; K306-D408 PolarHBondContact NZ-OD1 2.89Å; K306-T410 CarbonylContact O-C 3.52Å; K306-T410 WeakPolarHBondContact O-CA 3.16Å; K306-T410 WeakPolarHBondContact O-CB 3.38Å; K306-W411 PolarHBondContact O-N 3.41Å
307	G	98.3	Very high	96.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.			trans	89.8	133.1	-178.5	0	0	0	0	0	112.5	G298 I299 G302 R303 G305	G298-G307 WeakPolarHBondContact O-CA 3.3Å; I299-G307 VanDerWaalsContact O-CA 3.28Å; I299-G307 WeakPolarHBondContact O-CA 3.39Å; G302-G307 WeakPolarHBondContact O-CA 3.39Å; G302-G307 PolarHBondContact O-N 3.45Å; R303-G307 WeakPolarHBondContact CD-O 3.28Å; G305-G307 VanDerWaalsContact C-N 3.25Å
308	S	98.6	Very high	96.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-57.1	145.5	169.3	-61.2	0	0	0	0	111	G298	G298-S308 PolarHBondContact O-N 2.97Å; G298-S308 PolarHBondContact O-OG 3.28Å
309	I	98.9	Very high	96.3	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	116.4	175.9	-68.4	153.1	0	0	0	108.4	D269 I270 Y271 V311 I336 F399 L403 L414	D269-I309 PolarHBondContact O-N 3.37Å; D269-I309 VanDerWaalsContact O-N 3.1Å; I270-I309 CarbonylContact C-O 3.59Å; I270-I309 WeakPolarHBondContact CA-O 3.27Å; I270-I309 HydrophobicContact CG1-CB 4.14Å; I270-I309 HydrophobicContact CG1-CD1 4.32Å; I270-I309 HydrophobicContact CG1-CG2 4.31Å; I270-I309 HydrophobicContact CG2-CG2 4.24Å; Y271-I309 PolarHBondContact N-O 3.29Å; I309-V311 HydrophobicContact CG2-CG2 4.06Å; I309-I336 HydrophobicContact CG2-CD1 4.11Å; I309-F399 HydrophobicContact CG2-CD2 4.32Å; I309-L403 HydrophobicContact CD1-CD1 3.61Å; I309-L403 HydrophobicContact CD1-CD2 3.95Å; I309-L403 HydrophobicContact CD1-CG 4.14Å; I309-L414 HydrophobicContact CB-CD2 4.44Å; I309-L414 HydrophobicContact CD1-CD2 3.53Å; I309-L414 HydrophobicContact CG1-CD2 3.89Å; I309-L414 HydrophobicContact CG2-CD2 3.71Å
310	F	98.9	Very high	96.2	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.5	177.6	-58.3	-74.8	0	0	0	109.3	I261 Y271 F295 I299 W312 T335 I336	I261-F310 HydrophobicContact CG2-CD1 4.32Å; I261-F310 HydrophobicContact CG2-CE1 3.62Å; I261-F310 HydrophobicContact CG2-CZ 3.9Å; Y271-F310 HydrophobicContact CD1-CE1 4.28Å; Y271-F310 AromaticContact CD2-CD1 3.93Å; Y271-F310 HydrophobicContact CD2-CD1 3.93Å; Y271-F310 AromaticContact CD2-CE1 3.62Å; Y271-F310 HydrophobicContact CD2-CE1 3.62Å; Y271-F310 HydrophobicContact CD2-CZ 4.39Å; Y271-F310 HydrophobicContact CE2-CE1 4.14Å; Y271-F310 AromaticContact CG-CD1 3.85Å; Y271-F310 HydrophobicContact CG-CD1 3.85Å; Y271-F310 AromaticContact CG-CE1 3.72Å; Y271-F310 HydrophobicContact CG-CE1 3.72Å; F295-F310 HydrophobicContact CD1-CD1 4.1Å; F295-F310 AromaticContact CD1-CD2 3.72Å; F295-F310 HydrophobicContact CD1-CD2 3.72Å; F295-F310 HydrophobicContact CD1-CE1 4.23Å; F295-F310 AromaticContact CD1-CE2 3.82Å; F295-F310 HydrophobicContact CD1-CE2 3.82Å; F295-F310 AromaticContact CD1-CG 3.87Å; F295-F310 HydrophobicContact CD1-CG 3.87Å; F295-F310 HydrophobicContact CD1-CZ 4.08Å; F295-F310 HydrophobicContact CE1-CB 4.16Å; F295-F310 AromaticContact CE1-CD1 3.89Å; F295-F310 HydrophobicContact CE1-CD1 3.89Å; F295-F310 HydrophobicContact CE1-CD2 4.14Å; F295-F310 HydrophobicContact CE1-CE1 4.34Å; F295-F310 AromaticContact CE1-CG 3.79Å; F295-F310 HydrophobicContact CE1-CG 3.79Å; I299-F310 HydrophobicContact CG2-CD2 4.26Å; I299-F310 HydrophobicContact CG2-CE2 3.98Å; F310-W312 HydrophobicContact CB-CE3 4.22Å; F310-W312 HydrophobicContact CB-CZ3 4.22Å; F310-W312 HydrophobicContact CD1-CZ3 4.4Å; F310-T335 HydrophobicContact CB-CG2 4Å; F310-T335 CarbonylContact O-C 3.35Å; F310-T335 WeakPolarHBondContact O-CA 3.34Å; F310-I336 PolarHBondContact O-N 3.17Å
311	V	98.9	Very high	96	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.3	177.7	-170.3	0	0	0	0	108.1	I270 Y271 A273 I309 I338 A392 A395 A396 F399	I270-V311 HydrophobicContact CG2-CG2 3.79Å; Y271-V311 PolarHBondContact O-N 3.35Å; A273-V311 PolarHBondContact N-O 3.46Å; I309-V311 HydrophobicContact CG2-CG2 4.06Å; V311-I338 HydrophobicContact CG1-CG1 3.89Å; V311-A392 HydrophobicContact CG1-CB 4.16Å; V311-A392 WeakPolarHBondContact CG1-O 3.49Å; V311-A395 HydrophobicContact CG1-CB 4.12Å; V311-A396 HydrophobicContact CB-CB 4.41Å; V311-A396 HydrophobicContact CG2-CB 4.15Å; V311-F399 HydrophobicContact CG1-CE2 4.2Å; V311-F399 HydrophobicContact CG2-CD2 3.58Å; V311-F399 HydrophobicContact CG2-CE2 3.74Å
312	W	98.6	Very high	95.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.8	-173.3	-123.3	-94.5	0	0	0	111.5	L173 I261 A273 W275 F295 F310 Y329 T335 I336 S337 I338	L173-W312 HydrophobicContact CD1-CH2 4.38Å; I261-W312 HydrophobicContact CG1-CH2 4.24Å; A273-W312 HydrophobicContact CB-CD2 3.7Å; A273-W312 HydrophobicContact CB-CE3 3.69Å; A273-W312 HydrophobicContact CB-CH2 3.4Å; A273-W312 HydrophobicContact CB-CZ2 3.4Å; A273-W312 HydrophobicContact CB-CZ3 3.54Å; A273-W312 WeakPolarHBondContact O-CA 3.27Å; W275-W312 HydrophobicContact CD2-CZ2 4.1Å; W275-W312 AromaticContact CE2-CZ2 3.77Å; W275-W312 HydrophobicContact CE3-CZ2 4.12Å; W275-W312 AromaticContact CH2-CH2 3.97Å; W275-W312 HydrophobicContact CH2-CH2 3.97Å; W275-W312 AromaticContact CH2-CZ2 3.56Å; W275-W312 HydrophobicContact CH2-CZ2 3.56Å; W275-W312 AromaticContact CZ2-CH2 3.72Å; W275-W312 HydrophobicContact CZ2-CH2 3.72Å; W275-W312 AromaticContact CZ2-CZ2 3.5Å; W275-W312 HydrophobicContact CZ2-CZ2 3.5Å; W275-W312 AromaticContact CZ3-CZ2 3.88Å; W275-W312 HydrophobicContact CZ3-CZ2 3.88Å; W275-W312 PolarHBondContact O-NE1 2.87Å; F295-W312 HydrophobicContact CE1-CH2 4.16Å; F295-W312 AromaticContact CE1-CZ3 3.88Å; F295-W312 HydrophobicContact CE1-CZ3 3.88Å; F295-W312 AromaticContact CZ-CH2 3.81Å; F295-W312 HydrophobicContact CZ-CH2 3.81Å; F295-W312 HydrophobicContact CZ-CZ2 4.36Å; F295-W312 AromaticContact CZ-CZ3 3.94Å; F295-W312 HydrophobicContact CZ-CZ3 3.94Å; F310-W312 HydrophobicContact CB-CE3 4.22Å; F310-W312 HydrophobicContact CB-CZ3 4.22Å; F310-W312 HydrophobicContact CD1-CZ3 4.4Å; W312-Y329 HydrophobicContact CZ2-CD1 4.03Å; W312-Y329 HydrophobicContact CZ2-CG 4.48Å; W312-T335 HydrophobicContact CD2-CG2 4.15Å; W312-T335 HydrophobicContact CE3-CG2 3.79Å; W312-T335 HydrophobicContact CG-CG2 4.49Å; W312-T335 HydrophobicContact CZ3-CG2 4.4Å; W312-I336 PolarHBondContact N-O 3.21Å; W312-S337 CarbonylContact O-C 3.56Å; W312-S337 WeakPolarHBondContact O-CA 3.46Å; W312-I338 PolarHBondContact O-N 2.87Å
313	A	97.9	Very high	95.8	Very high	5 Å²	5	29.5 Å²	29.5	4%	0.041	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	139	168.5	0	0	0	0	0	110.2	A273 G315 T330 T388 A392	A273-A313 PolarHBondContact O-N 3.48Å; A273-A313 VanDerWaalsContact O-N 3.09Å; A313-G315 PolarHBondContact O-N 2.89Å; A313-G315 VanDerWaalsContact O-N 3.16Å; A313-T330 WeakPolarHBondContact O-CG2 3.42Å; A313-T388 WeakPolarHBondContact CB-O 3.22Å; A313-A392 HydrophobicContact CB-CB 4.04Å
314	S	95.4	Very high	95.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.			trans	-78.1	10.6	-175.3	73.7	0	0	0	0	115.6	C324 I338 S339	S314-C324 VanDerWaalsContact O-CB 3.26Å; S314-C324 WeakPolarHBondContact O-CB 3.18Å; S314-C324 PolarHBondContact O-SG 2.84Å; S314-I338 PolarHBondContact N-O 3.28Å; S314-S339 WeakPolarHBondContact OG-CA 3.27Å
315	G	94.5	Very high	95.5	Very high	5 Å²	5	22.7 Å²	22.7	5%	0.052	13%	0.13	C	C	.	.			trans	92.3	161.6	-178.7	0	0	0	0	0	115.6	A313 E352 T388	A313-G315 PolarHBondContact O-N 2.89Å; A313-G315 VanDerWaalsContact O-N 3.16Å; G315-E352 VanDerWaalsContact C-OE1 3.31Å; G315-E352 WeakPolarHBondContact CA-OE1 3.09Å; G315-T388 VanDerWaalsContact C-OG1 3.28Å; G315-T388 PolarHBondContact N-OG1 2.87Å; G315-T388 WeakPolarHBondContact O-CG2 3.3Å; G315-T388 PolarHBondContact O-OG1 3.39Å
316	N	95	Very high	95.5	Very high	43 Å²	43	20.7 Å²	20.7	23%	0.23	11%	0.109	C	C	.	.	S	Bend	trans	-120.6	15.6	-174.8	-63.2	-71.8	0	0	0	113.7	D279 G318 Y350 E352 G387 T388	D279-N316 WeakPolarHBondContact OD2-CA 3.36Å; D279-N316 WeakPolarHBondContact OD2-CB 3.41Å; D279-N316 PolarHBondContact OD2-N 2.95Å; N316-G318 VanDerWaalsContact C-N 3.31Å; N316-G318 PolarHBondContact O-N 2.99Å; N316-Y350 CarbonylContact C-O 3.16Å; N316-Y350 WeakPolarHBondContact CA-O 3.15Å; N316-Y350 VanDerWaalsContact OD1-CD2 3.31Å; N316-Y350 WeakPolarHBondContact OD1-CD2 3.38Å; N316-E352 PolarHBondContact N-OE1 2.89Å; N316-G387 VanDerWaalsContact OD1-CA 3.27Å; N316-G387 WeakPolarHBondContact OD1-CA 3.12Å; N316-T388 PolarHBondContact ND2-OG1 3.27Å; N316-T388 PolarHBondContact OD1-N 2.8Å; N316-T388 PolarHBondContact OD1-OG1 3.05Å; N316-T388 VanDerWaalsContact OD1-OG1 3.11Å
317	G	94.8	Very high	95.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.			trans	-83.2	9.8	-175.8	0	0	0	0	0	115.9	R319 Q320 G321 D322 Y350 E352	G317-R319 VanDerWaalsContact C-N 3.28Å; G317-R319 PolarHBondContact O-N 2.98Å; G317-R319 VanDerWaalsContact O-N 3.16Å; G317-Q320 VanDerWaalsContact C-OE1 3.27Å; G317-Q320 CarbonylContact O-C 3.57Å; G317-Q320 WeakPolarHBondContact O-CA 3.48Å; G317-Q320 WeakPolarHBondContact O-CB 3.33Å; G317-Q320 PolarHBondContact O-N 2.82Å; G317-Q320 PolarHBondContact O-OE1 3.19Å; G317-G321 PolarHBondContact O-N 2.98Å; G317-D322 WeakPolarHBondContact O-CB 3.45Å; G317-D322 PolarHBondContact O-N 2.83Å; G317-Y350 PolarHBondContact N-O 2.67Å; G317-E352 WeakPolarHBondContact CA-OE1 3.29Å; G317-E352 PolarHBondContact N-OE1 2.94Å
318	G	92.1	Very high	95.2	Very high	26 Å²	26	19.3 Å²	19.3	27%	0.268	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	-56.6	-35.9	-173.5	0	0	0	0	0	114.5	N316 Q320 G321 W349 Y350	N316-G318 VanDerWaalsContact C-N 3.31Å; N316-G318 PolarHBondContact O-N 2.99Å; G318-Q320 VanDerWaalsContact C-N 3.31Å; G318-G321 PolarHBondContact O-N 2.98Å; G318-W349 CarbonylContact C-O 3.53Å; G318-Y350 WeakPolarHBondContact CA-O 3.29Å; G318-Y350 PolarHBondContact N-O 2.54Å
319	R	91.5	Very high	95.1	Very high	186 Å²	186	19.4 Å²	19.4	70%	0.702	11%	0.107	S	C	*	.	G	3₁₀ helix	trans	-75.3	-23.1	177.1	-179.6	177.4	179.7	-164	0.1	112.8	G317 W349	G317-R319 VanDerWaalsContact C-N 3.28Å; G317-R319 PolarHBondContact O-N 2.98Å; G317-R319 VanDerWaalsContact O-N 3.16Å; R319-W349 HydrophobicContact CB-CE3 3.89Å; R319-W349 HydrophobicContact CB-CZ3 4.21Å; R319-W349 PolarHBondContact N-O 3Å
320	Q	92.4	Very high	94.9	Very high	53 Å²	53	19.3 Å²	19.3	25%	0.248	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-83.4	-8.3	178.3	-65.4	72.8	2	0	0	111	G317 G318 R548	G317-Q320 VanDerWaalsContact C-OE1 3.27Å; G317-Q320 CarbonylContact O-C 3.57Å; G317-Q320 WeakPolarHBondContact O-CA 3.48Å; G317-Q320 WeakPolarHBondContact O-CB 3.33Å; G317-Q320 PolarHBondContact O-N 2.82Å; G317-Q320 PolarHBondContact O-OE1 3.19Å; G318-Q320 VanDerWaalsContact C-N 3.31Å; Q320-R548 VanDerWaalsContact O-CD 3.31Å; Q320-R548 WeakPolarHBondContact O-CD 3.48Å
321	G	91.1	Very high	94.5	Very high	34 Å²	34	19.4 Å²	19.4	35%	0.351	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	29.1	-174.8	0	0	0	0	0	111.9	G317 G318 R546	G317-G321 PolarHBondContact O-N 2.98Å; G318-G321 PolarHBondContact O-N 2.98Å; G321-R546 WeakPolarHBondContact O-CG 3.3Å
322	D	94.3	Very high	94.4	Very high	17 Å²	17	20.2 Å²	20.2	9%	0.091	11%	0.113	C	C	.	.			trans	-77.1	164.7	178.9	-140.4	-12.3	0	0	0	112.9	D280 G281 G317 E352 R546	D280-D322 PolarHBondContact N-OD2 2.92Å; G281-D322 VanDerWaalsContact CA-CG 3.41Å; G281-D322 WeakPolarHBondContact CA-OD2 3.33Å; G281-D322 PolarHBondContact N-OD2 3.47Å; G317-D322 WeakPolarHBondContact O-CB 3.45Å; G317-D322 PolarHBondContact O-N 2.83Å; D322-E352 HydrophobicContact CB-CG 4.28Å; D322-R546 IonicContact OD1-CZ 2.79Å; D322-R546 IonicContact OD1-NH1 3.98Å; D322-R546 PolarHBondContact OD1-NH1 2.69Å
323	N	94.3	Very high	94.4	Very high	5 Å²	5	20.6 Å²	20.6	3%	0.027	12%	0.115	C	C	.	.			trans	-140.1	119.6	178.8	-177.4	-44.4	0	0	0	109	D325 C326 K353 A544	N323-D325 PolarHBondContact O-N 3.48Å; N323-D325 VanDerWaalsContact O-N 3.12Å; N323-D325 WeakPolarHBondContact OD1-CB 3.36Å; N323-D325 PolarHBondContact OD1-N 2.01Å; N323-C326 WeakPolarHBondContact O-CB 2.89Å; N323-C326 PolarHBondContact O-N 3.25Å; N323-K353 PolarHBondContact ND2-O 2.65Å; N323-K353 PolarHBondContact OD1-O 2.93Å; N323-A544 PolarHBondContact ND2-N 2.82Å; N323-A544 VanDerWaalsContact ND2-N 3.16Å
324	C	92.7	Very high	94.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-65.6	-12.6	-175.6	32.6	0	0	0	0	115.4	S314 C326 D327 T330 E352 C354	S314-C324 VanDerWaalsContact O-CB 3.26Å; S314-C324 WeakPolarHBondContact O-CB 3.18Å; S314-C324 PolarHBondContact O-SG 2.84Å; C324-C326 PolarHBondContact O-N 3.16Å; C324-C326 VanDerWaalsContact O-N 3.11Å; C324-D327 WeakPolarHBondContact O-CB 3.18Å; C324-D327 PolarHBondContact O-N 3.46Å; C324-T330 PolarHBondContact O-OG1 3.05Å; C324-E352 HydrophobicContact CB-CB 4.13Å; C324-E352 PolarHBondContact N-OE2 3.09Å; C324-E352 VanDerWaalsContact N-OE2 3.15Å; C324-C354 HydrophobicContact CB-CB 3.73Å; C324-C354 WeakPolarHBondContact CB-SG 3.27Å; C324-C354 WeakPolarHBondContact SG-CB 3.27Å; C324-C354 CovalentContact SG-SG 2.01Å; C324-C354 PolarHBondContact SG-SG 3.47Å
325	D	93.5	Very high	94.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-69.7	-2.5	167.4	-65.2	-22.1	0	0	0	111.5	N323 D331 C354 S355 S356 L542 W558 F560	N323-D325 PolarHBondContact O-N 3.48Å; N323-D325 VanDerWaalsContact O-N 3.12Å; N323-D325 WeakPolarHBondContact OD1-CB 3.36Å; N323-D325 PolarHBondContact OD1-N 2.01Å; D325-D331 VanDerWaalsContact OD1-OD1 3.06Å; D325-C354 HydrophobicContact CB-CB 4.3Å; D325-C354 VanDerWaalsContact OD1-CB 3.28Å; D325-C354 WeakPolarHBondContact OD1-CB 3.07Å; D325-S355 PolarHBondContact OD1-N 2.97Å; D325-S355 PolarHBondContact OD2-N 3.24Å; D325-S355 PolarHBondContact OD2-OG 3.06Å; D325-S356 VanDerWaalsContact OD1-CB 3.25Å; D325-S356 WeakPolarHBondContact OD1-CB 3.49Å; D325-S356 PolarHBondContact OD1-N 3.32Å; D325-S356 VanDerWaalsContact OD1-N 3.15Å; D325-S356 PolarHBondContact OD1-OG 3.08Å; D325-L542 VanDerWaalsContact CB-O 3.25Å; D325-L542 WeakPolarHBondContact CB-O 3Å; D325-W558 WeakPolarHBondContact O-CZ2 3.26Å; D325-W558 PolarHBondContact O-NE1 3.15Å; D325-F560 HydrophobicContact CB-CD1 4.32Å
326	C	95.8	Very high	94.7	Very high	4 Å²	4	22.2 Å²	22.2	3%	0.027	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-94.8	-5.6	167.8	-63.8	0	0	0	0	113.7	V284 E285 N323 C324 L543 R546 W558	V284-C326 WeakPolarHBondContact CA-O 3.38Å; V284-C326 HydrophobicContact CG2-CB 3.95Å; E285-C326 PolarHBondContact N-O 3.31Å; N323-C326 WeakPolarHBondContact O-CB 2.89Å; N323-C326 PolarHBondContact O-N 3.25Å; C324-C326 PolarHBondContact O-N 3.16Å; C324-C326 VanDerWaalsContact O-N 3.11Å; C326-L543 VanDerWaalsContact SG-CD1 3.54Å; C326-R546 VanDerWaalsContact SG-CZ 3.51Å; C326-W558 WeakPolarHBondContact O-CZ2 3.12Å
327	D	96.1	Very high	94.9	Very high	10 Å²	10	20.2 Å²	20.2	5%	0.053	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-102.7	104.4	171.6	175.5	-9.8	0	0	0	108.9	P277 C324 Y329 T330 D331	P277-D327 VanDerWaalsContact CD-OD1 3.24Å; P277-D327 WeakPolarHBondContact CD-OD1 3.11Å; P277-D327 WeakPolarHBondContact CD-OD2 3.43Å; P277-D327 HydrophobicContact CG-CB 4.28Å; C324-D327 WeakPolarHBondContact O-CB 3.18Å; C324-D327 PolarHBondContact O-N 3.46Å; D327-Y329 PolarHBondContact O-N 3.16Å; D327-Y329 VanDerWaalsContact O-N 3.14Å; D327-Y329 WeakPolarHBondContact OD1-CA 3.5Å; D327-Y329 VanDerWaalsContact OD1-CB 3.3Å; D327-Y329 WeakPolarHBondContact OD1-CB 3.41Å; D327-Y329 WeakPolarHBondContact OD1-CD2 3.32Å; D327-Y329 PolarHBondContact OD1-N 2.69Å; D327-T330 HydrophobicContact CB-CG2 4.45Å; D327-T330 PolarHBondContact O-N 3.43Å; D327-T330 VanDerWaalsContact O-N 3.16Å; D327-T330 PolarHBondContact O-OG1 2.85Å; D327-T330 PolarHBondContact OD1-N 2.93Å; D327-T330 WeakPolarHBondContact OD2-CG2 3.36Å; D327-D331 VanDerWaalsContact O-CB 3.29Å; D327-D331 WeakPolarHBondContact O-CB 3.36Å; D327-D331 PolarHBondContact O-N 2.96Å
328	G	94.8	Very high	95.1	Very high	13 Å²	13	20.2 Å²	20.2	13%	0.134	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-9.4	-177.8	0	0	0	0	0	115.2	E285 P287	E285-G328 PolarHBondContact O-N 3.37Å; P287-G328 VanDerWaalsContact CD-C 3.41Å; P287-G328 VanDerWaalsContact CD-O 3.29Å; P287-G328 WeakPolarHBondContact CD-O 3.44Å
329	Y	95.8	Very high	95.4	Very high	3 Å²	3	19 Å²	19	1%	0.012	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-45.4	170.3	-63.2	-85.9	0	0	0	110.7	E257 W275 P287 F295 W312 D327 S332 T335	E257-Y329 PolarHBondContact OE1-OH 3.23Å; E257-Y329 PolarHBondContact OE2-OH 2.87Å; W275-Y329 HydrophobicContact CH2-CD1 4.29Å; W275-Y329 AromaticContact CH2-CE1 3.95Å; W275-Y329 HydrophobicContact CH2-CE1 3.95Å; W275-Y329 AromaticContact CZ3-CD1 3.86Å; W275-Y329 HydrophobicContact CZ3-CD1 3.86Å; W275-Y329 AromaticContact CZ3-CE1 3.51Å; W275-Y329 HydrophobicContact CZ3-CE1 3.51Å; W275-Y329 HydrophobicContact CZ3-CE2 4.25Å; W275-Y329 HydrophobicContact CZ3-CG 4.4Å; W275-Y329 AromaticContact CZ3-CZ 3.71Å; P287-Y329 HydrophobicContact CB-CD1 4.26Å; P287-Y329 HydrophobicContact CB-CE1 3.74Å; P287-Y329 HydrophobicContact CG-CE1 4.48Å; F295-Y329 AromaticContact CE2-CD1 3.99Å; F295-Y329 HydrophobicContact CE2-CD1 3.99Å; F295-Y329 HydrophobicContact CE2-CE1 4.39Å; F295-Y329 HydrophobicContact CZ-CD1 4.16Å; W312-Y329 HydrophobicContact CZ2-CD1 4.03Å; W312-Y329 HydrophobicContact CZ2-CG 4.48Å; D327-Y329 PolarHBondContact O-N 3.16Å; D327-Y329 VanDerWaalsContact O-N 3.14Å; D327-Y329 WeakPolarHBondContact OD1-CA 3.5Å; D327-Y329 VanDerWaalsContact OD1-CB 3.3Å; D327-Y329 WeakPolarHBondContact OD1-CB 3.41Å; D327-Y329 WeakPolarHBondContact OD1-CD2 3.32Å; D327-Y329 PolarHBondContact OD1-N 2.69Å; Y329-S332 WeakPolarHBondContact O-CB 3.42Å; Y329-T335 VanDerWaalsContact O-CG2 3.28Å; Y329-T335 WeakPolarHBondContact O-CG2 3.27Å; Y329-T335 PolarHBondContact O-OG1 2.61Å
330	T	93.8	Very high	95.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-28.4	178.8	72.6	0	0	0	0	113	A313 C324 D327 S332	A313-T330 WeakPolarHBondContact O-CG2 3.42Å; C324-T330 PolarHBondContact O-OG1 3.05Å; D327-T330 HydrophobicContact CB-CG2 4.45Å; D327-T330 PolarHBondContact O-N 3.43Å; D327-T330 VanDerWaalsContact O-N 3.16Å; D327-T330 PolarHBondContact O-OG1 2.85Å; D327-T330 PolarHBondContact OD1-N 2.93Å; D327-T330 WeakPolarHBondContact OD2-CG2 3.36Å; T330-S332 VanDerWaalsContact C-N 3.25Å; T330-S332 PolarHBondContact O-N 3.33Å
331	D	92.2	Very high	95.8	Very high	4 Å²	4	7.6 Å²	7.6	2%	0.021	5%	0.052	C	C	.	.	S	Bend	trans	-78.7	-7.2	175.1	-164.7	72.2	0	0	0	113	D325 D327 M561	D325-D331 VanDerWaalsContact OD1-OD1 3.06Å; D327-D331 VanDerWaalsContact O-CB 3.29Å; D327-D331 WeakPolarHBondContact O-CB 3.36Å; D327-D331 PolarHBondContact O-N 2.96Å; D331-M561 VanDerWaalsContact CG-CB 3.45Å; D331-M561 WeakPolarHBondContact O-CB 3.26Å; D331-M561 VanDerWaalsContact O-CE 3.26Å; D331-M561 WeakPolarHBondContact O-CE 3.38Å; D331-M561 WeakPolarHBondContact O-CG 3.43Å; D331-M561 WeakPolarHBondContact OD1-CA 3.04Å; D331-M561 VanDerWaalsContact OD1-CB 3.27Å; D331-M561 WeakPolarHBondContact OD1-CB 3.4Å; D331-M561 PolarHBondContact OD1-N 3.06Å; D331-M561 VanDerWaalsContact OD2-CB 3.27Å; D331-M561 WeakPolarHBondContact OD2-CB 3.44Å; D331-M561 PolarHBondContact OD2-N 3.05Å
332	S	96.7	Very high	95.9	Very high	16 Å²	16	6.2 Å²	6.2	11%	0.112	4%	0.037	C	C	.	.			trans	-68.4	134.6	177.6	-179.4	0	0	0	0	112.1	Y329 T330 F334 T335	Y329-S332 WeakPolarHBondContact O-CB 3.42Å; T330-S332 VanDerWaalsContact C-N 3.25Å; T330-S332 PolarHBondContact O-N 3.33Å; S332-F334 PolarHBondContact O-N 2.92Å; S332-F334 VanDerWaalsContact O-N 3.1Å; S332-F334 WeakPolarHBondContact OG-CD2 3.49Å; S332-F334 PolarHBondContact OG-N 3.04Å; S332-T335 PolarHBondContact O-N 3.28Å; S332-T335 PolarHBondContact O-OG1 2.84Å; S332-T335 VanDerWaalsContact O-OG1 3.12Å
333	I	97.8	Very high	95.5	Very high	9 Å²	9	6.6 Å²	6.6	5%	0.046	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.7	172.2	69.3	174.3	0	0	0	113	W411 Q415 H513 Q515 M561 H599	I333-W411 WeakPolarHBondContact O-CZ3 3.43Å; I333-Q415 PolarHBondContact O-NE2 3.36Å; I333-H513 HydrophobicContact CB-CB 4.35Å; I333-H513 HydrophobicContact CG2-CB 3.64Å; I333-Q515 HydrophobicContact CG2-CG 4.27Å; I333-M561 HydrophobicContact CG2-CG 3.85Å; I333-H599 WeakPolarHBondContact CD1-ND1 3.19Å
334	F	97.8	Very high	95.1	Very high	32 Å²	32	10.5 Å²	10.5	14%	0.14	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-14.6	-176.6	-53.6	-47.7	0	0	0	112.8	F295 E296 I299 S332 W411	F295-F334 HydrophobicContact CB-CB 4.27Å; F295-F334 HydrophobicContact CB-CD2 3.69Å; F295-F334 HydrophobicContact CB-CE2 4.44Å; F295-F334 HydrophobicContact CB-CG 4.28Å; F295-F334 HydrophobicContact CD1-CB 4.44Å; F295-F334 HydrophobicContact CG-CD2 4.47Å; E296-F334 HydrophobicContact CG-CE2 4.01Å; E296-F334 HydrophobicContact CG-CZ 4.15Å; I299-F334 HydrophobicContact CB-CD1 4.42Å; I299-F334 HydrophobicContact CD1-CD1 4.07Å; I299-F334 HydrophobicContact CD1-CE1 3.75Å; I299-F334 HydrophobicContact CG1-CD1 3.8Å; I299-F334 HydrophobicContact CG1-CE1 3.91Å; I299-F334 HydrophobicContact CG1-CG 4.42Å; I299-F334 HydrophobicContact CG2-CB 4.02Å; I299-F334 HydrophobicContact CG2-CD1 4Å; I299-F334 HydrophobicContact CG2-CG 4.23Å; S332-F334 PolarHBondContact O-N 2.92Å; S332-F334 VanDerWaalsContact O-N 3.1Å; S332-F334 WeakPolarHBondContact OG-CD2 3.49Å; S332-F334 PolarHBondContact OG-N 3.04Å; F334-W411 HydrophobicContact CD1-CH2 4.15Å; F334-W411 HydrophobicContact CD1-CZ3 4.45Å
335	T	98.3	Very high	95	Very high	7 Å²	7	10.6 Å²	10.6	4%	0.043	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	148.5	179.5	61.8	0	0	0	0	110.6	F295 F310 W312 Y329 S332	F295-T335 HydrophobicContact CE1-CG2 3.78Å; F295-T335 HydrophobicContact CZ-CG2 3.98Å; F310-T335 HydrophobicContact CB-CG2 4Å; F310-T335 CarbonylContact O-C 3.35Å; F310-T335 WeakPolarHBondContact O-CA 3.34Å; W312-T335 HydrophobicContact CD2-CG2 4.15Å; W312-T335 HydrophobicContact CE3-CG2 3.79Å; W312-T335 HydrophobicContact CG-CG2 4.49Å; W312-T335 HydrophobicContact CZ3-CG2 4.4Å; Y329-T335 VanDerWaalsContact O-CG2 3.28Å; Y329-T335 WeakPolarHBondContact O-CG2 3.27Å; Y329-T335 PolarHBondContact O-OG1 2.61Å; S332-T335 PolarHBondContact O-N 3.28Å; S332-T335 PolarHBondContact O-OG1 2.84Å; S332-T335 VanDerWaalsContact O-OG1 3.12Å
336	I	98.7	Very high	94.9	Very high	4 Å²	4	14.6 Å²	14.6	2%	0.021	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	94.9	169	-57.2	-176.2	0	0	0	106	I309 F310 W312 I338 L358 F399 L414 Q415	I309-I336 HydrophobicContact CG2-CD1 4.11Å; F310-I336 PolarHBondContact O-N 3.17Å; W312-I336 PolarHBondContact N-O 3.21Å; I336-I338 HydrophobicContact CG2-CD1 3.87Å; I336-I338 HydrophobicContact CG2-CG1 4.37Å; I336-L358 HydrophobicContact CG2-CB 4.37Å; I336-L358 HydrophobicContact CG2-CD2 3.83Å; I336-F399 HydrophobicContact CB-CE2 4.26Å; I336-F399 HydrophobicContact CD1-CD2 4.37Å; I336-F399 HydrophobicContact CD1-CE2 3.88Å; I336-F399 HydrophobicContact CD1-CZ 4.39Å; I336-F399 HydrophobicContact CG2-CE2 3.82Å; I336-F399 HydrophobicContact CG2-CZ 3.88Å; I336-L414 HydrophobicContact CD1-CD2 4.06Å; I336-L414 HydrophobicContact CD1-CG 4.28Å; I336-Q415 HydrophobicContact CD1-CG 3.95Å; I336-Q415 HydrophobicContact CG1-CG 3.8Å
337	S	98.4	Very high	94.8	Very high	2 Å²	2	16 Å²	16	1%	0.014	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	123.7	179.2	-180	0	0	0	0	111	W312 L358	W312-S337 CarbonylContact O-C 3.56Å; W312-S337 WeakPolarHBondContact O-CA 3.46Å; S337-L358 PolarHBondContact O-N 3.16Å
338	I	98.6	Very high	94.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.5	-175.4	-58.7	-63.1	0	0	0	110	V311 W312 S314 I336 A359 A361 A395 F399 L451	V311-I338 HydrophobicContact CG1-CG1 3.89Å; W312-I338 PolarHBondContact O-N 2.87Å; S314-I338 PolarHBondContact N-O 3.28Å; I336-I338 HydrophobicContact CG2-CD1 3.87Å; I336-I338 HydrophobicContact CG2-CG1 4.37Å; I338-A359 WeakPolarHBondContact CA-O 3.38Å; I338-A359 HydrophobicContact CD1-CB 4.07Å; I338-A361 HydrophobicContact CG2-CB 4.17Å; I338-A395 HydrophobicContact CB-CB 4.46Å; I338-A395 HydrophobicContact CD1-CB 3.91Å; I338-A395 HydrophobicContact CG1-CB 3.67Å; I338-A395 HydrophobicContact CG2-CB 4.14Å; I338-F399 HydrophobicContact CD1-CZ 4.32Å; I338-L451 HydrophobicContact CD1-CD1 4.35Å
339	S	98.2	Very high	94.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-178.4	172.4	-175.8	0	0	0	0	111.5	S314 A359 T360 A361 S391 R445	S314-S339 WeakPolarHBondContact OG-CA 3.27Å; S339-A359 PolarHBondContact N-O 3.35Å; S339-T360 WeakPolarHBondContact O-CA 3.42Å; S339-A361 PolarHBondContact O-N 2.88Å; S339-A361 VanDerWaalsContact O-N 3.12Å; S339-S391 WeakPolarHBondContact O-CB 3.32Å; S339-R445 VanDerWaalsContact CB-O 3.25Å; S339-R445 WeakPolarHBondContact CB-O 3.44Å; S339-R445 PolarHBondContact OG-O 2.88Å
340	S	97.3	Very high	94.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.4	-177.3	-66.2	0	0	0	0	113.7	P348 T360 A361 S363 T388 S391	S340-P348 WeakPolarHBondContact O-CD 3.47Å; S340-T360 VanDerWaalsContact C-CG2 3.46Å; S340-A361 CarbonylContact C-O 3.55Å; S340-A361 WeakPolarHBondContact CA-O 3.35Å; S340-S363 WeakPolarHBondContact OG-CB 3.4Å; S340-T388 VanDerWaalsContact OG-CA 3.25Å; S340-T388 WeakPolarHBondContact OG-CA 3.25Å; S340-T388 WeakPolarHBondContact OG-CG2 3.09Å; S340-S391 PolarHBondContact OG-OG 3.35Å
341	A	95.5	Very high	94.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.6	160.3	0	0	0	0	0	110.5	T360 A361 Y362 S363 L427 F446 L450	A341-T360 HydrophobicContact CB-CG2 3.67Å; A341-T360 VanDerWaalsContact N-CG2 3.33Å; A341-A361 PolarHBondContact N-O 3.39Å; A341-Y362 HydrophobicContact CB-CD1 4.02Å; A341-Y362 HydrophobicContact CB-CE1 4.19Å; A341-Y362 CarbonylContact O-C 3.48Å; A341-Y362 WeakPolarHBondContact O-CA 3.32Å; A341-S363 PolarHBondContact O-N 2.86Å; A341-L427 HydrophobicContact CB-CD2 3.62Å; A341-F446 HydrophobicContact CB-CE1 4.35Å; A341-L450 HydrophobicContact CB-CD1 4.47Å
342	S	92.6	Very high	94.6	Very high	4 Å²	4	22.3 Å²	22.3	3%	0.028	11%	0.109	C	C	.	.			trans	-74.6	173.8	172.1	82.4	0	0	0	0	111.7	Q344 G345 L346 D369	S342-Q344 PolarHBondContact O-N 3.35Å; S342-Q344 PolarHBondContact OG-N 2.81Å; S342-Q344 VanDerWaalsContact OG-N 3.13Å; S342-Q344 PolarHBondContact OG-OE1 3.43Å; S342-G345 PolarHBondContact O-N 2.83Å; S342-L346 PolarHBondContact N-O 2.87Å; S342-L346 PolarHBondContact OG-N 3.33Å; S342-D369 WeakPolarHBondContact CB-OD2 3.25Å
343	Q	87.7	Confident	94.4	Very high	26 Å²	26	25.9 Å²	25.9	12%	0.121	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-20	171.5	178.2	166.3	55.1	0	0	114.1	W137 L151 D369 Q370	W137-Q343 HydrophobicContact CD2-CG 4.3Å; W137-Q343 HydrophobicContact CE3-CB 4.39Å; W137-Q343 HydrophobicContact CE3-CG 4.12Å; W137-Q343 HydrophobicContact CH2-CB 3.71Å; W137-Q343 HydrophobicContact CH2-CG 4.33Å; W137-Q343 HydrophobicContact CZ2-CB 3.83Å; W137-Q343 HydrophobicContact CZ2-CG 4.5Å; W137-Q343 HydrophobicContact CZ3-CB 4.02Å; W137-Q343 HydrophobicContact CZ3-CG 4.15Å; L151-Q343 WeakPolarHBondContact CD1-O 3.33Å; Q343-D369 HydrophobicContact CB-CB 4.32Å; Q343-Q370 VanDerWaalsContact OE1-N 3.09Å
344	Q	85.3	Confident	94.2	Very high	87 Å²	87	25.5 Å²	25.5	41%	0.407	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	6.2	177.9	-61.2	73.9	20.9	0	0	112.4	S342 L346 D369	S342-Q344 PolarHBondContact O-N 3.35Å; S342-Q344 PolarHBondContact OG-N 2.81Å; S342-Q344 VanDerWaalsContact OG-N 3.13Å; S342-Q344 PolarHBondContact OG-OE1 3.43Å; Q344-L346 HydrophobicContact CB-CD1 4.18Å; Q344-L346 HydrophobicContact CB-CG 4.07Å; Q344-L346 PolarHBondContact O-N 2.92Å; Q344-D369 PolarHBondContact NE2-OD1 3.34Å; Q344-D369 PolarHBondContact OE1-OD1 2.96Å; Q344-D369 VanDerWaalsContact OE1-OD1 3.06Å; Q344-D369 PolarHBondContact OE1-OD2 2.89Å
345	G	89.9	Confident	94.1	Very high	2 Å²	2	24 Å²	24	2%	0.021	11%	0.114	C	C	.	.	S	Bend	trans	68.7	24.6	-172.9	0	0	0	0	0	112.7	S342 L427 N430	S342-G345 PolarHBondContact O-N 2.83Å; G345-L427 WeakPolarHBondContact O-CD2 3.46Å; G345-N430 PolarHBondContact O-ND2 2.58Å
346	L	91.9	Very high	94.1	Very high	84 Å²	84	23.8 Å²	23.8	44%	0.44	11%	0.112	S	C	.	.	P	Polyproline II helix	trans	-101.5	152.9	178.5	-62.6	178.9	0	0	0	111	S342 Q344 P348	S342-L346 PolarHBondContact N-O 2.87Å; S342-L346 PolarHBondContact OG-N 3.33Å; Q344-L346 HydrophobicContact CB-CD1 4.18Å; Q344-L346 HydrophobicContact CB-CG 4.07Å; Q344-L346 PolarHBondContact O-N 2.92Å; L346-P348 VanDerWaalsContact O-CD 3.26Å; L346-P348 WeakPolarHBondContact O-CD 3.29Å
347	S	93.9	Very high	94.1	Very high	32 Å²	32	23.6 Å²	23.6	22%	0.224	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-65.4	119.7	171.2	-172.9	0	0	0	0	109.3	N430	S347-N430 PolarHBondContact N-OD1 2.66Å
348	P	93.3	Very high	94.1	Very high	8 Å²	8	23.7 Å²	23.7	5%	0.052	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-63.8	157.5	175.7	-22.2	34.7	0	0	0	112.1	S340 L346 Y350 A351 S364	S340-P348 WeakPolarHBondContact O-CD 3.47Å; L346-P348 VanDerWaalsContact O-CD 3.26Å; L346-P348 WeakPolarHBondContact O-CD 3.29Å; P348-Y350 HydrophobicContact CB-CD1 3.86Å; P348-Y350 HydrophobicContact CB-CD2 4.26Å; P348-Y350 HydrophobicContact CB-CE1 3.39Å; P348-Y350 HydrophobicContact CB-CE2 3.83Å; P348-Y350 HydrophobicContact CB-CG 4.27Å; P348-Y350 HydrophobicContact CG-CE1 4.26Å; P348-Y350 HydrophobicContact CG-CE2 4.2Å; P348-Y350 PolarHBondContact O-N 2.74Å; P348-A351 HydrophobicContact CB-CB 4.48Å; P348-A351 PolarHBondContact O-N 3.44Å; P348-S364 WeakPolarHBondContact CG-O 3.45Å
349	W	91.4	Very high	94.1	Very high	139 Å²	139	23.7 Å²	23.7	53%	0.527	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.4	-178.2	61	-93.1	0	0	0	114.1	G318 R319	G318-W349 CarbonylContact C-O 3.53Å; R319-W349 HydrophobicContact CB-CE3 3.89Å; R319-W349 HydrophobicContact CB-CZ3 4.21Å; R319-W349 PolarHBondContact N-O 3Å
350	Y	93	Very high	94.1	Very high	9 Å²	9	23.7 Å²	23.7	4%	0.035	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-20.1	179.3	55	-100	0	0	0	112.8	N316 G317 G318 P348 E352 S363 S364 G387 T388	N316-Y350 CarbonylContact C-O 3.16Å; N316-Y350 WeakPolarHBondContact CA-O 3.15Å; N316-Y350 VanDerWaalsContact OD1-CD2 3.31Å; N316-Y350 WeakPolarHBondContact OD1-CD2 3.38Å; G317-Y350 PolarHBondContact N-O 2.67Å; G318-Y350 WeakPolarHBondContact CA-O 3.29Å; G318-Y350 PolarHBondContact N-O 2.54Å; P348-Y350 HydrophobicContact CB-CD1 3.86Å; P348-Y350 HydrophobicContact CB-CD2 4.26Å; P348-Y350 HydrophobicContact CB-CE1 3.39Å; P348-Y350 HydrophobicContact CB-CE2 3.83Å; P348-Y350 HydrophobicContact CB-CG 4.27Å; P348-Y350 HydrophobicContact CG-CE1 4.26Å; P348-Y350 HydrophobicContact CG-CE2 4.2Å; P348-Y350 PolarHBondContact O-N 2.74Å; Y350-E352 PolarHBondContact O-N 2.7Å; Y350-S363 WeakPolarHBondContact OH-CB 3.24Å; Y350-S363 PolarHBondContact OH-OG 2.79Å; Y350-S364 WeakPolarHBondContact CE1-OG 3.36Å; Y350-S364 PolarHBondContact OH-N 2.87Å; Y350-S364 PolarHBondContact OH-O 2.64Å; Y350-S364 PolarHBondContact OH-OG 3.43Å; Y350-G387 VanDerWaalsContact CE2-C 3.46Å; Y350-G387 VanDerWaalsContact CE2-CA 3.43Å; Y350-T388 HydrophobicContact CD2-CG2 4.24Å; Y350-T388 HydrophobicContact CE2-CG2 4.11Å
351	A	94.3	Very high	94.1	Very high	4 Å²	4	23.7 Å²	23.7	3%	0.033	11%	0.112	C	C	.	.			trans	-67.2	128.7	-174.4	0	0	0	0	0	111.1	P348 T388	P348-A351 HydrophobicContact CB-CB 4.48Å; P348-A351 PolarHBondContact O-N 3.44Å; A351-T388 HydrophobicContact CB-CG2 4.41Å
352	E	95.4	Very high	94.2	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.019	11%	0.112	C	C	.	.			trans	-77.4	161.2	175.4	-65.2	-175	-145.5	0	0	111.9	G315 N316 G317 D322 C324 Y350	G315-E352 VanDerWaalsContact C-OE1 3.31Å; G315-E352 WeakPolarHBondContact CA-OE1 3.09Å; N316-E352 PolarHBondContact N-OE1 2.89Å; G317-E352 WeakPolarHBondContact CA-OE1 3.29Å; G317-E352 PolarHBondContact N-OE1 2.94Å; D322-E352 HydrophobicContact CB-CG 4.28Å; C324-E352 HydrophobicContact CB-CB 4.13Å; C324-E352 PolarHBondContact N-OE2 3.09Å; C324-E352 VanDerWaalsContact N-OE2 3.15Å; Y350-E352 PolarHBondContact O-N 2.7Å
353	K	94.1	Very high	94.3	Very high	91 Å²	91	23.5 Å²	23.5	40%	0.396	11%	0.11	S	C	.	.			trans	-120.1	125.2	179.6	-52.2	176.3	-163.8	144.3	0	108.3	N323 S444 R445	N323-K353 PolarHBondContact ND2-O 2.65Å; N323-K353 PolarHBondContact OD1-O 2.93Å; K353-S444 CarbonylContact C-O 3.51Å; K353-S444 VanDerWaalsContact CA-O 3.27Å; K353-S444 WeakPolarHBondContact CA-O 3.14Å; K353-R445 HydrophobicContact CD-CG 3.96Å; K353-R445 HydrophobicContact CG-CG 3.77Å
354	C	92.8	Very high	94.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.007	11%	0.106	C	C	.	.			trans	-157.9	164.1	178.3	56.8	0	0	0	0	110.8	C324 D325 S356 T357 S444	C324-C354 HydrophobicContact CB-CB 3.73Å; C324-C354 WeakPolarHBondContact CB-SG 3.27Å; C324-C354 WeakPolarHBondContact SG-CB 3.27Å; C324-C354 CovalentContact SG-SG 2.01Å; C324-C354 PolarHBondContact SG-SG 3.47Å; D325-C354 HydrophobicContact CB-CB 4.3Å; D325-C354 VanDerWaalsContact OD1-CB 3.28Å; D325-C354 WeakPolarHBondContact OD1-CB 3.07Å; C354-S356 PolarHBondContact SG-OG 3.03Å; C354-T357 PolarHBondContact SG-OG1 3.3Å; C354-S444 PolarHBondContact N-O 3.15Å; C354-S444 WeakPolarHBondContact O-CA 3.34Å; C354-S444 VanDerWaalsContact O-O 3.09Å
355	S	96.7	Very high	94.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-89.9	-8.2	-175.7	67.3	0	0	0	0	114	D325 L542 M561 S562 V563 H564	D325-S355 PolarHBondContact OD1-N 2.97Å; D325-S355 PolarHBondContact OD2-N 3.24Å; D325-S355 PolarHBondContact OD2-OG 3.06Å; S355-L542 WeakPolarHBondContact OG-CD2 3.18Å; S355-M561 CarbonylContact C-O 3.35Å; S355-M561 PolarHBondContact OG-O 2.94Å; S355-S562 VanDerWaalsContact O-CA 3.3Å; S355-S562 WeakPolarHBondContact O-CA 3.25Å; S355-S562 PolarHBondContact O-OG 3.12Å; S355-S562 WeakPolarHBondContact OG-CB 3.41Å; S355-V563 WeakPolarHBondContact O-CG2 3.27Å; S355-V563 PolarHBondContact O-N 3.13Å; S355-H564 PolarHBondContact O-CD2 3.34Å
356	S	97.3	Very high	94.2	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.014	12%	0.115	C	C	.	.	S	Bend	trans	-80.6	-21.1	172.2	49	0	0	0	0	115.1	D325 C354 L358 M561	D325-S356 VanDerWaalsContact OD1-CB 3.25Å; D325-S356 WeakPolarHBondContact OD1-CB 3.49Å; D325-S356 PolarHBondContact OD1-N 3.32Å; D325-S356 VanDerWaalsContact OD1-N 3.15Å; D325-S356 PolarHBondContact OD1-OG 3.08Å; C354-S356 PolarHBondContact SG-OG 3.03Å; S356-L358 PolarHBondContact O-N 3.16Å; S356-M561 PolarHBondContact N-O 2.65Å
357	T	98.2	Very high	93.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.13	C	C	.	.			trans	-60.2	124.4	178.5	-67.1	0	0	0	0	111.2	C354 G447 V563	C354-T357 PolarHBondContact SG-OG1 3.3Å; T357-G447 WeakPolarHBondContact O-CA 3.42Å; T357-V563 WeakPolarHBondContact O-CG2 3.35Å
358	L	98.6	Very high	92.4	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.026	15%	0.154	C	C	.	.			trans	-88.3	-45.3	-177.9	-161.7	71.9	0	0	0	112.4	I336 S337 S356 Q415 V418 V419 F448 V563 W566	I336-L358 HydrophobicContact CG2-CB 4.37Å; I336-L358 HydrophobicContact CG2-CD2 3.83Å; S337-L358 PolarHBondContact O-N 3.16Å; S356-L358 PolarHBondContact O-N 3.16Å; L358-Q415 HydrophobicContact CD2-CB 4.08Å; L358-Q415 HydrophobicContact CD2-CG 4Å; L358-V418 HydrophobicContact CD2-CB 4.05Å; L358-V418 HydrophobicContact CD2-CG1 3.76Å; L358-V418 HydrophobicContact CG-CG1 4.06Å; L358-V419 HydrophobicContact CD1-CG2 3.57Å; L358-V419 HydrophobicContact CD2-CG2 4.47Å; L358-V419 HydrophobicContact CG-CG2 4.13Å; L358-F448 HydrophobicContact CD1-CD2 4.24Å; L358-F448 HydrophobicContact CD1-CE2 4.17Å; L358-F448 WeakPolarHBondContact O-CD2 3.38Å; L358-F448 PolarHBondContact O-N 3.26Å; L358-V563 HydrophobicContact CD1-CB 4.02Å; L358-V563 HydrophobicContact CD1-CG1 3.92Å; L358-V563 HydrophobicContact CD1-CG2 4.03Å; L358-W566 HydrophobicContact CD1-CE3 4.31Å; L358-W566 HydrophobicContact CD1-CZ3 4.04Å
359	A	98.4	Very high	91.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	-177.1	-175.9	0	0	0	0	0	112	I338 S339 V418 F446 L451	I338-A359 WeakPolarHBondContact CA-O 3.38Å; I338-A359 HydrophobicContact CD1-CB 4.07Å; S339-A359 PolarHBondContact N-O 3.35Å; A359-V418 HydrophobicContact CB-CG1 3.57Å; A359-F446 CarbonylContact C-O 3.6Å; A359-L451 HydrophobicContact CB-CD2 3.71Å; A359-L451 HydrophobicContact CB-CG 4.18Å
360	T	98.3	Very high	91.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.6	-177.1	-62.4	0	0	0	0	111.5	S339 S340 A341 L427 F446 G449 L450 L451	S339-T360 WeakPolarHBondContact O-CA 3.42Å; S340-T360 VanDerWaalsContact C-CG2 3.46Å; A341-T360 HydrophobicContact CB-CG2 3.67Å; A341-T360 VanDerWaalsContact N-CG2 3.33Å; T360-L427 HydrophobicContact CG2-CD1 4.27Å; T360-F446 HydrophobicContact CG2-CD1 3.95Å; T360-F446 WeakPolarHBondContact OG1-CA 3.5Å; T360-F446 WeakPolarHBondContact OG1-CB 3.4Å; T360-F446 WeakPolarHBondContact OG1-CD1 3.38Å; T360-F446 PolarHBondContact OG1-O 2.96Å; T360-G449 PolarHBondContact N-O 2.77Å; T360-L450 HydrophobicContact CG2-CD1 4.25Å; T360-L450 CarbonylContact O-C 3.26Å; T360-L450 WeakPolarHBondContact O-CA 3.39Å; T360-L451 PolarHBondContact O-N 3.24Å
361	A	97.8	Very high	91.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	171	162.6	0	0	0	0	0	110	L153 I338 S339 S340 A341 S391 L394 L451	L153-A361 HydrophobicContact CD2-CB 4.47Å; I338-A361 HydrophobicContact CG2-CB 4.17Å; S339-A361 PolarHBondContact O-N 2.88Å; S339-A361 VanDerWaalsContact O-N 3.12Å; S340-A361 CarbonylContact C-O 3.55Å; S340-A361 WeakPolarHBondContact CA-O 3.35Å; A341-A361 PolarHBondContact N-O 3.39Å; A361-S391 WeakPolarHBondContact CB-O 3.4Å; A361-S391 PolarHBondContact O-OG 3.49Å; A361-L394 HydrophobicContact CB-CB 4.22Å; A361-L451 HydrophobicContact CB-CD1 4.48Å
362	Y	96.9	Very high	91.6	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	154.4	176.9	-72.7	-58.1	0	0	0	112	W137 L151 L153 A341 S391 L394 L450	W137-Y362 AromaticContact CH2-CD1 3.55Å; W137-Y362 HydrophobicContact CH2-CD1 3.55Å; W137-Y362 HydrophobicContact CH2-CD2 4.26Å; W137-Y362 HydrophobicContact CH2-CE1 4.3Å; W137-Y362 AromaticContact CH2-CG 3.53Å; W137-Y362 HydrophobicContact CH2-CG 3.53Å; W137-Y362 AromaticContact CZ3-CD1 3.7Å; W137-Y362 HydrophobicContact CZ3-CD1 3.7Å; W137-Y362 AromaticContact CZ3-CD2 3.91Å; W137-Y362 HydrophobicContact CZ3-CD2 3.91Å; W137-Y362 HydrophobicContact CZ3-CE1 4.06Å; W137-Y362 HydrophobicContact CZ3-CE2 4.25Å; W137-Y362 AromaticContact CZ3-CG 3.63Å; W137-Y362 HydrophobicContact CZ3-CG 3.63Å; L151-Y362 WeakPolarHBondContact CA-OH 3.39Å; L151-Y362 HydrophobicContact CD2-CE1 4.47Å; L151-Y362 VanDerWaalsContact CD2-OH 3.25Å; L151-Y362 WeakPolarHBondContact CD2-OH 3.09Å; L153-Y362 HydrophobicContact CD2-CD2 3.91Å; L153-Y362 HydrophobicContact CD2-CE2 4.26Å; L153-Y362 HydrophobicContact CG-CD2 3.9Å; L153-Y362 HydrophobicContact CG-CE2 4.39Å; A341-Y362 HydrophobicContact CB-CD1 4.02Å; A341-Y362 HydrophobicContact CB-CE1 4.19Å; A341-Y362 CarbonylContact O-C 3.48Å; A341-Y362 WeakPolarHBondContact O-CA 3.32Å; Y362-S391 PolarHBondContact O-OG 3.18Å; Y362-L394 WeakPolarHBondContact O-CD1 3.47Å; Y362-L450 HydrophobicContact CD1-CD1 4.21Å; Y362-L450 HydrophobicContact CD2-CD1 4.31Å; Y362-L450 HydrophobicContact CE1-CD1 3.99Å; Y362-L450 HydrophobicContact CE1-CD2 4.23Å; Y362-L450 HydrophobicContact CE2-CD1 4.09Å; Y362-L450 HydrophobicContact CE2-CD2 3.68Å; Y362-L450 HydrophobicContact CE2-CG 4.43Å; Y362-L450 HydrophobicContact CG-CD1 4.36Å; Y362-L450 VanDerWaalsContact CZ-CD2 3.44Å; Y362-L450 WeakPolarHBondContact OH-CD2 3.3Å
363	S	96.1	Very high	91.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.161	C	C	.	.			trans	-155.8	-161.4	167.1	-174.2	0	0	0	0	108.8	S340 A341 Y350 G387 S391	S340-S363 WeakPolarHBondContact OG-CB 3.4Å; A341-S363 PolarHBondContact O-N 2.86Å; Y350-S363 WeakPolarHBondContact OH-CB 3.24Å; Y350-S363 PolarHBondContact OH-OG 2.79Å; S363-G387 WeakPolarHBondContact CB-O 3.48Å; S363-G387 PolarHBondContact OG-N 3.45Å; S363-G387 PolarHBondContact OG-O 2.9Å; S363-S391 WeakPolarHBondContact CB-OG 3.1Å
364	S	91	Very high	91.9	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.028	14%	0.143	C	C	.	.			trans	-67.1	164.7	171.7	62.7	0	0	0	0	113.5	P348 Y350 T386 G387	P348-S364 WeakPolarHBondContact CG-O 3.45Å; Y350-S364 WeakPolarHBondContact CE1-OG 3.36Å; Y350-S364 PolarHBondContact OH-N 2.87Å; Y350-S364 PolarHBondContact OH-O 2.64Å; Y350-S364 PolarHBondContact OH-OG 3.43Å; S364-T386 WeakPolarHBondContact OG-CA 3.36Å; S364-T386 WeakPolarHBondContact OG-CB 3.49Å; S364-G387 PolarHBondContact OG-N 2.94Å
365	G	88.4	Confident	92.1	Very high	9 Å²	9	29.5 Å²	29.5	9%	0.093	14%	0.142	C	C	.	.			trans	-143.8	-122.1	173.1	0	0	0	0	0	112.5	D369	G365-D369 VanDerWaalsContact CA-OD2 3.23Å; G365-D369 WeakPolarHBondContact CA-OD2 3.44Å
366	D	80.6	Confident	92.2	Very high	97 Å²	97	30.6 Å²	30.6	52%	0.519	15%	0.148	S	C	.	.	S	Bend	trans	-64.5	163.9	174.3	-159.2	-6.1	0	0	0	110.9	T368 D369	D366-T368 PolarHBondContact O-N 2.83Å; D366-D369 PolarHBondContact N-OD2 2.93Å; D366-D369 VanDerWaalsContact O-CB 3.3Å; D366-D369 WeakPolarHBondContact O-CB 3.43Å; D366-D369 PolarHBondContact O-N 3.06Å
367	Y	71.4	Confident	92.1	Very high	191 Å²	191	30.7 Å²	30.7	75%	0.749	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.4	-176.2	-67.5	-81.5	0	0	0	113.9
368	T	76.1	Confident	92.1	Very high	121 Å²	121	34.4 Å²	34.4	74%	0.742	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-12.2	177.1	52.6	0	0	0	0	113.8	D366	D366-T368 PolarHBondContact O-N 2.83Å
369	D	81.3	Confident	92.1	Very high	11 Å²	11	36.6 Å²	36.6	6%	0.059	18%	0.178	C	C	.	.	S	Bend	trans	-78.9	147.3	-172.8	-58.4	-5.4	0	0	0	110.1	S342 Q343 Q344 G365 D366	S342-D369 WeakPolarHBondContact CB-OD2 3.25Å; Q343-D369 HydrophobicContact CB-CB 4.32Å; Q344-D369 PolarHBondContact NE2-OD1 3.34Å; Q344-D369 PolarHBondContact OE1-OD1 2.96Å; Q344-D369 VanDerWaalsContact OE1-OD1 3.06Å; Q344-D369 PolarHBondContact OE1-OD2 2.89Å; G365-D369 VanDerWaalsContact CA-OD2 3.23Å; G365-D369 WeakPolarHBondContact CA-OD2 3.44Å; D366-D369 PolarHBondContact N-OD2 2.93Å; D366-D369 VanDerWaalsContact O-CB 3.3Å; D366-D369 WeakPolarHBondContact O-CB 3.43Å; D366-D369 PolarHBondContact O-N 3.06Å
370	Q	86	Confident	92	Very high	87 Å²	87	41.1 Å²	41.1	41%	0.407	20%	0.202	S	C	.	.			trans	-64.4	149.4	165.3	-66.6	-177.2	63.3	0	0	110	W137 Q343	W137-Q370 VanDerWaalsContact CD1-CB 3.44Å; W137-Q370 HydrophobicContact CG-CB 4.25Å; Q343-Q370 VanDerWaalsContact OE1-N 3.09Å
371	R	92.8	Very high	92	Very high	90 Å²	90	43.3 Å²	43.3	34%	0.34	22%	0.216	S	C	.	.			trans	-111.6	-173	-179.2	-63	174.9	-174.6	167.9	4	109.1	W137 Q383 H385 T386	W137-R371 PolarHBondContact NE1-O 2.82Å; R371-Q383 WeakPolarHBondContact CB-O 3.25Å; R371-H385 WeakPolarHBondContact CB-O 3.35Å; R371-T386 HydrophobicContact CB-CG2 4.49Å; R371-T386 HydrophobicContact CG-CG2 4.07Å
372	I	95.9	Very high	92	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	136.8	179.7	-61.8	-50	0	0	0	110.7	Y138 E222 Q383 T384 H385 A390 L394	Y138-I372 HydrophobicContact CD1-CD1 3.52Å; Y138-I372 HydrophobicContact CE1-CD1 3.52Å; Y138-I372 HydrophobicContact CE1-CG2 4.47Å; Y138-I372 HydrophobicContact CE2-CD1 4.49Å; Y138-I372 HydrophobicContact CG-CD1 4.07Å; E222-I372 VanDerWaalsContact CD-CG2 3.49Å; E222-I372 HydrophobicContact CG-CG2 3.81Å; E222-I372 WeakPolarHBondContact OE2-CG2 3.42Å; I372-Q383 CarbonylContact O-C 3.6Å; I372-Q383 VanDerWaalsContact O-C 3.26Å; I372-T384 PolarHBondContact O-N 2.87Å; I372-H385 HydrophobicContact CB-CB 4.05Å; I372-H385 HydrophobicContact CG2-CB 4.24Å; I372-H385 PolarHBondContact N-O 3.19Å; I372-H385 PolarHBondContact O-N 2.96Å; I372-A390 HydrophobicContact CB-CB 4.21Å; I372-A390 HydrophobicContact CG1-CB 3.75Å; I372-A390 HydrophobicContact CG2-CB 4.37Å; I372-L394 HydrophobicContact CD1-CD1 4.11Å
373	T	96.8	Very high	91.9	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.1	178	-69.1	0	0	0	0	110	M132 Q136 Y138 T382	M132-T373 HydrophobicContact CB-CG2 3.75Å; M132-T373 HydrophobicContact CE-CG2 3.53Å; M132-T373 HydrophobicContact SD-CG2 4.22Å; Q136-T373 HydrophobicContact CG-CG2 3.91Å; Y138-T373 PolarHBondContact OH-N 2.84Å; Y138-T373 PolarHBondContact OH-O 2.96Å; T373-T382 CarbonylContact C-O 3.51Å; T373-T382 WeakPolarHBondContact CA-O 3.45Å
374	S	97.9	Very high	91.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	179.3	-176.8	-164	0	0	0	0	112.1	R218 G221 E222 T382	R218-S374 WeakPolarHBondContact O-CB 3.36Å; R218-S374 PolarHBondContact O-OG 3.1Å; G221-S374 VanDerWaalsContact C-OG 3.23Å; G221-S374 VanDerWaalsContact CA-OG 3.28Å; G221-S374 WeakPolarHBondContact CA-OG 3.36Å; E222-S374 PolarHBondContact N-OG 3.11Å; E222-S374 VanDerWaalsContact N-OG 3.08Å; S374-T382 PolarHBondContact N-O 3.1Å; S374-T382 PolarHBondContact O-N 3.05Å
375	A	97.9	Very high	91.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	156.3	162.6	0	0	0	0	0	111.3	H181 I184 T217 R218	H181-A375 VanDerWaalsContact CE1-CB 3.49Å; H181-A375 WeakPolarHBondContact CE1-CB 3.38Å; I184-A375 HydrophobicContact CD1-CB 3.89Å; I184-A375 HydrophobicContact CG1-CB 4.41Å; T217-A375 HydrophobicContact CG2-CB 4.42Å; R218-A375 WeakPolarHBondContact CA-O 3.28Å; R218-A375 WeakPolarHBondContact CG-O 3.1Å
376	D	98.1	Very high	92.2	Very high	23 Å²	23	53.8 Å²	53.8	12%	0.123	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	166.7	177	-150.8	-1.6	0	0	0	110.1	H181 R218 D380 T382	H181-D376 PolarHBondContact CD2-O 3.12Å; H181-D376 VanDerWaalsContact CD2-O 3.25Å; R218-D376 IonicContact CZ-OD1 3.33Å; R218-D376 IonicContact CZ-OD2 3.67Å; R218-D376 IonicContact NE-OD1 2.66Å; R218-D376 PolarHBondContact NE-OD1 3.37Å; R218-D376 IonicContact NE-OD2 3.7Å; R218-D376 PolarHBondContact NE-OD2 2.93Å; R218-D376 IonicContact NH2-OD1 2.73Å; R218-D376 PolarHBondContact NH2-OD1 3.36Å; R218-D376 IonicContact NH2-OD2 3.43Å; R218-D376 PolarHBondContact NH2-OD2 3.29Å; D376-D380 HydrophobicContact CB-CB 4.41Å; D376-D380 PolarHBondContact N-O 2.91Å; D376-D380 PolarHBondContact O-N 3.12Å; D376-T382 HydrophobicContact CB-CG2 4.47Å; D376-T382 WeakPolarHBondContact OD2-CB 3.39Å
377	L	96.9	Very high	92.7	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.026	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	160.5	175.9	-67	-175.8	0	0	0	112.7	E178 P205 Y207 N211 N213 K214 N379 D380	E178-L377 HydrophobicContact CB-CD2 4.33Å; E178-L377 WeakPolarHBondContact OE1-CA 3.27Å; P205-L377 HydrophobicContact CB-CD2 4.01Å; P205-L377 HydrophobicContact CG-CD2 3.43Å; P205-L377 VanDerWaalsContact CG-CD2 3.43Å; Y207-L377 HydrophobicContact CD1-CD1 4.36Å; Y207-L377 HydrophobicContact CE1-CB 4.37Å; Y207-L377 HydrophobicContact CE1-CD2 4.16Å; N211-L377 HydrophobicContact CB-CD1 4.35Å; N213-L377 WeakPolarHBondContact O-CD1 3.41Å; N213-L377 WeakPolarHBondContact O-CD2 3.5Å; K214-L377 HydrophobicContact CB-CB 4.42Å; K214-L377 HydrophobicContact CB-CD1 3.56Å; K214-L377 HydrophobicContact CB-CD2 4.45Å; K214-L377 HydrophobicContact CB-CG 3.48Å; K214-L377 VanDerWaalsContact CB-CG 3.48Å; L377-N379 VanDerWaalsContact C-N 3.26Å; L377-D380 WeakPolarHBondContact O-CB 3.49Å; L377-D380 PolarHBondContact O-N 2.99Å
378	H	97.3	Very high	93.7	Very high	78 Å²	78	40.3 Å²	40.3	36%	0.361	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	29.4	-179	-51.5	-78.1	0	0	0	112.6	E178 Y207 N211 D380	E178-H378 PolarHBondContact OE1-N 2.85Å; Y207-H378 AromaticContact CD1-CE1 3.79Å; Y207-H378 AromaticContact CD2-CE1 3.48Å; Y207-H378 VanDerWaalsContact CD2-CE1 3.48Å; Y207-H378 WeakPolarHBondContact CD2-CE1 3.3Å; Y207-H378 AromaticContact CD2-ND1 3.7Å; Y207-H378 AromaticContact CE2-CE1 3.75Å; Y207-H378 AromaticContact CE2-ND1 3.51Å; Y207-H378 AromaticContact CG-CE1 3.49Å; Y207-H378 VanDerWaalsContact CG-CE1 3.49Å; Y207-H378 AromaticContact CZ-ND1 3.77Å; N211-H378 PolarHBondContact OD1-NE2 3.46Å; H378-D380 PolarHBondContact O-N 2.87Å
379	N	97.6	Very high	94.4	Very high	51 Å²	51	35 Å²	35	27%	0.273	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	35.6	-175.4	-172	44	0	0	0	112	E178 H181 T182 K231 L377	E178-N379 VanDerWaalsContact OE2-CA 3.24Å; E178-N379 WeakPolarHBondContact OE2-CA 3.39Å; E178-N379 PolarHBondContact OE2-N 3.19Å; H181-N379 VanDerWaalsContact CD2-CA 3.47Å; H181-N379 WeakPolarHBondContact CD2-CA 3.36Å; T182-N379 WeakPolarHBondContact CB-OD1 3.28Å; T182-N379 WeakPolarHBondContact CG2-ND2 3.49Å; T182-N379 PolarHBondContact N-OD1 3.1Å; T182-N379 PolarHBondContact OG1-ND2 3.03Å; T182-N379 PolarHBondContact OG1-OD1 2.86Å; K231-N379 WeakPolarHBondContact CE-O 3.28Å; K231-N379 PolarHBondContact NZ-O 2.75Å; L377-N379 VanDerWaalsContact C-N 3.26Å
380	D	97.9	Very high	95.1	Very high	95 Å²	95	34.5 Å²	34.5	51%	0.508	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	178.3	-179.2	-85.6	-28.7	0	0	0	111.7	H181 D376 L377 H378	H181-D380 PolarHBondContact NE2-O 2.89Å; D376-D380 HydrophobicContact CB-CB 4.41Å; D376-D380 PolarHBondContact N-O 2.91Å; D376-D380 PolarHBondContact O-N 3.12Å; L377-D380 WeakPolarHBondContact O-CB 3.49Å; L377-D380 PolarHBondContact O-N 2.99Å; H378-D380 PolarHBondContact O-N 2.87Å
381	C	97.9	Very high	95.7	Very high	45 Å²	45	30.4 Å²	30.4	30%	0.304	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.3	177.4	-43.2	0	0	0	0	110.2	M132 C232	M132-C381 HydrophobicContact CE-CB 3.9Å; M132-C381 HydrophobicContact SD-CB 3.18Å; M132-C381 WeakPolarHBondContact SD-CB 2.96Å; C232-C381 WeakPolarHBondContact CA-SG 3.48Å; C232-C381 HydrophobicContact CB-CB 3.64Å; C232-C381 WeakPolarHBondContact CB-SG 3.34Å; C232-C381 WeakPolarHBondContact SG-CB 3.49Å; C232-C381 CovalentContact SG-SG 2.02Å; C232-C381 PolarHBondContact SG-SG 2.77Å
382	T	96.9	Very high	96	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.6	178.6	-160.5	0	0	0	0	112.1	M132 R218 T373 S374 D376 T384 H385	M132-T382 WeakPolarHBondContact CE-O 3.45Å; R218-T382 HydrophobicContact CG-CG2 4.06Å; R218-T382 PolarHBondContact NH2-OG1 2.92Å; T373-T382 CarbonylContact C-O 3.51Å; T373-T382 WeakPolarHBondContact CA-O 3.45Å; S374-T382 PolarHBondContact N-O 3.1Å; S374-T382 PolarHBondContact O-N 3.05Å; D376-T382 HydrophobicContact CB-CG2 4.47Å; D376-T382 WeakPolarHBondContact OD2-CB 3.39Å; T382-T384 PolarHBondContact OG1-N 3.03Å; T382-T384 PolarHBondContact OG1-OG1 2.91Å; T382-H385 HydrophobicContact CG2-CB 4.14Å
383	Q	94.4	Very high	96.1	Very high	96 Å²	96	26.1 Å²	26.1	45%	0.449	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	19.3	167.5	-60.4	179.1	-7.5	0	0	110.4	M132 R371 I372	M132-Q383 HydrophobicContact CE-CB 4.47Å; M132-Q383 HydrophobicContact CE-CG 3.15Å; R371-Q383 WeakPolarHBondContact CB-O 3.25Å; I372-Q383 CarbonylContact O-C 3.6Å; I372-Q383 VanDerWaalsContact O-C 3.26Å
384	T	92.9	Very high	96.2	Very high	65 Å²	65	26 Å²	26	40%	0.399	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	18.3	-166	63.6	0	0	0	0	112.8	I372 T382 T386	I372-T384 PolarHBondContact O-N 2.87Å; T382-T384 PolarHBondContact OG1-N 3.03Å; T382-T384 PolarHBondContact OG1-OG1 2.91Å; T384-T386 WeakPolarHBondContact O-CG2 3.48Å
385	H	95.1	Very high	96.3	Very high	4 Å²	4	26 Å²	26	2%	0.019	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.8	172.2	-169.4	39.1	0	0	0	110.3	H215 E222 R371 I372 T382 A390	H215-H385 AromaticContact CD2-CE1 3.89Å; H215-H385 AromaticContact NE2-CE1 3.8Å; E222-H385 IonicContact OE1-CD2 2.58Å; E222-H385 PolarHBondContact OE1-CD2 3.08Å; E222-H385 IonicContact OE1-NE2 3.84Å; E222-H385 PolarHBondContact OE1-NE2 3Å; R371-H385 WeakPolarHBondContact CB-O 3.35Å; I372-H385 HydrophobicContact CB-CB 4.05Å; I372-H385 HydrophobicContact CG2-CB 4.24Å; I372-H385 PolarHBondContact N-O 3.19Å; I372-H385 PolarHBondContact O-N 2.96Å; T382-H385 HydrophobicContact CG2-CB 4.14Å; H385-A390 VanDerWaalsContact CD2-CB 3.42Å; H385-A390 WeakPolarHBondContact CD2-CB 3.27Å
386	T	93.9	Very high	96.3	Very high	63 Å²	63	26 Å²	26	39%	0.387	14%	0.143	S	C	.	.			trans	-150.5	165.9	-163.9	58.6	0	0	0	0	110.7	S364 R371 T384	S364-T386 WeakPolarHBondContact OG-CA 3.36Å; S364-T386 WeakPolarHBondContact OG-CB 3.49Å; R371-T386 HydrophobicContact CB-CG2 4.49Å; R371-T386 HydrophobicContact CG-CG2 4.07Å; T384-T386 WeakPolarHBondContact O-CG2 3.48Å
387	G	92	Very high	96.3	Very high	6 Å²	6	24.9 Å²	24.9	6%	0.062	14%	0.137	C	C	.	.	S	Bend	trans	95.1	168	176.8	0	0	0	0	0	112.7	N316 Y350 S363 S364 S389 A390	N316-G387 VanDerWaalsContact OD1-CA 3.27Å; N316-G387 WeakPolarHBondContact OD1-CA 3.12Å; Y350-G387 VanDerWaalsContact CE2-C 3.46Å; Y350-G387 VanDerWaalsContact CE2-CA 3.43Å; S363-G387 WeakPolarHBondContact CB-O 3.48Å; S363-G387 PolarHBondContact OG-N 3.45Å; S363-G387 PolarHBondContact OG-O 2.9Å; S364-G387 PolarHBondContact OG-N 2.94Å; G387-S389 PolarHBondContact O-N 2.76Å; G387-A390 PolarHBondContact O-N 3.5Å; G387-A390 VanDerWaalsContact O-N 3.12Å
388	T	91.8	Very high	96.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.6	-24.1	170.1	50.1	0	0	0	0	111.9	A313 G315 N316 S340 Y350 A351 A390 S391 A392	A313-T388 WeakPolarHBondContact CB-O 3.22Å; G315-T388 VanDerWaalsContact C-OG1 3.28Å; G315-T388 PolarHBondContact N-OG1 2.87Å; G315-T388 WeakPolarHBondContact O-CG2 3.3Å; G315-T388 PolarHBondContact O-OG1 3.39Å; N316-T388 PolarHBondContact ND2-OG1 3.27Å; N316-T388 PolarHBondContact OD1-N 2.8Å; N316-T388 PolarHBondContact OD1-OG1 3.05Å; N316-T388 VanDerWaalsContact OD1-OG1 3.11Å; S340-T388 VanDerWaalsContact OG-CA 3.25Å; S340-T388 WeakPolarHBondContact OG-CA 3.25Å; S340-T388 WeakPolarHBondContact OG-CG2 3.09Å; Y350-T388 HydrophobicContact CD2-CG2 4.24Å; Y350-T388 HydrophobicContact CE2-CG2 4.11Å; A351-T388 HydrophobicContact CB-CG2 4.41Å; T388-A390 PolarHBondContact O-N 3.45Å; T388-A390 VanDerWaalsContact O-N 3.16Å; T388-S391 WeakPolarHBondContact O-CB 3.35Å; T388-S391 PolarHBondContact O-N 3.5Å; T388-A392 PolarHBondContact O-N 3.27Å
389	S	91.9	Very high	96.5	Very high	10 Å²	10	21 Å²	21	7%	0.07	12%	0.119	C	C	.	.	H	α-helix	trans	-59.3	-22.2	173.7	-45.4	0	0	0	0	115.2	H215 S274 G387 P393	H215-S389 WeakPolarHBondContact NE2-CB 3.43Å; S274-S389 WeakPolarHBondContact OG-CA 3.21Å; S274-S389 PolarHBondContact OG-O 2.87Å; G387-S389 PolarHBondContact O-N 2.76Å; S389-P393 WeakPolarHBondContact O-CD 3.16Å; S389-P393 VanDerWaalsContact O-CG 3.27Å; S389-P393 WeakPolarHBondContact O-CG 3.41Å
390	A	96.2	Very high	96.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-91.3	-17.1	172.3	0	0	0	0	0	112.7	I372 H385 G387 T388 L394	I372-A390 HydrophobicContact CB-CB 4.21Å; I372-A390 HydrophobicContact CG1-CB 3.75Å; I372-A390 HydrophobicContact CG2-CB 4.37Å; H385-A390 VanDerWaalsContact CD2-CB 3.42Å; H385-A390 WeakPolarHBondContact CD2-CB 3.27Å; G387-A390 PolarHBondContact O-N 3.5Å; G387-A390 VanDerWaalsContact O-N 3.12Å; T388-A390 PolarHBondContact O-N 3.45Å; T388-A390 VanDerWaalsContact O-N 3.16Å; A390-L394 WeakPolarHBondContact O-CG 3.34Å
391	S	98.3	Very high	96.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-79.1	-38.1	176.6	-67.2	0	0	0	0	112.5	S339 S340 A361 Y362 S363 T388 L394 A395	S339-S391 WeakPolarHBondContact O-CB 3.32Å; S340-S391 PolarHBondContact OG-OG 3.35Å; A361-S391 WeakPolarHBondContact CB-O 3.4Å; A361-S391 PolarHBondContact O-OG 3.49Å; Y362-S391 PolarHBondContact O-OG 3.18Å; S363-S391 WeakPolarHBondContact CB-OG 3.1Å; T388-S391 WeakPolarHBondContact O-CB 3.35Å; T388-S391 PolarHBondContact O-N 3.5Å; S391-L394 PolarHBondContact O-N 3.21Å; S391-A395 PolarHBondContact O-N 2.84Å; S391-A395 VanDerWaalsContact O-N 3.1Å
392	A	98.4	Very high	96.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.9	-44.3	179.4	0	0	0	0	0	113.6	V311 A313 T388 L394 A395 A396	V311-A392 HydrophobicContact CG1-CB 4.16Å; V311-A392 WeakPolarHBondContact CG1-O 3.49Å; A313-A392 HydrophobicContact CB-CB 4.04Å; T388-A392 PolarHBondContact O-N 3.27Å; A392-L394 PolarHBondContact O-N 3.16Å; A392-A395 WeakPolarHBondContact O-CB 3.34Å; A392-A395 PolarHBondContact O-N 3.11Å; A392-A396 PolarHBondContact O-N 3.35Å
393	P	98.7	Very high	96.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.6	-38.7	175.4	-24.9	35.1	0	0	0	113.6	C219 E222 I223 S389 A395 A396 G397	C219-P393 HydrophobicContact CB-CB 4.18Å; C219-P393 HydrophobicContact CB-CG 3.57Å; C219-P393 WeakPolarHBondContact O-CB 3.41Å; E222-P393 HydrophobicContact CB-CB 3.98Å; I223-P393 HydrophobicContact CD1-CB 4.01Å; I223-P393 HydrophobicContact CG1-CB 3.87Å; I223-P393 VanDerWaalsContact CG1-O 3.28Å; I223-P393 WeakPolarHBondContact CG1-O 3.29Å; S389-P393 WeakPolarHBondContact O-CD 3.16Å; S389-P393 VanDerWaalsContact O-CG 3.27Å; S389-P393 WeakPolarHBondContact O-CG 3.41Å; P393-A395 VanDerWaalsContact C-N 3.32Å; P393-A395 PolarHBondContact O-N 3.45Å; P393-A396 PolarHBondContact O-N 2.81Å; P393-G397 PolarHBondContact O-N 2.88Å
394	L	98.8	Very high	97	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.8	-43.4	173.7	-66.3	174	0	0	0	111.4	Y138 L153 E222 V236 A361 Y362 I372 A390 S391 A392 G397 I398	Y138-L394 HydrophobicContact CD2-CD1 4Å; Y138-L394 HydrophobicContact CD2-CD2 3.81Å; Y138-L394 HydrophobicContact CE2-CD1 4.38Å; Y138-L394 HydrophobicContact CE2-CD2 3.66Å; Y138-L394 HydrophobicContact CG-CD1 4.47Å; L153-L394 HydrophobicContact CD1-CB 4.2Å; L153-L394 HydrophobicContact CD1-CD1 4.2Å; E222-L394 HydrophobicContact CB-CD2 4.19Å; E222-L394 WeakPolarHBondContact OE2-CG 3.36Å; V236-L394 HydrophobicContact CG2-CD2 3.62Å; A361-L394 HydrophobicContact CB-CB 4.22Å; Y362-L394 WeakPolarHBondContact O-CD1 3.47Å; I372-L394 HydrophobicContact CD1-CD1 4.11Å; A390-L394 WeakPolarHBondContact O-CG 3.34Å; S391-L394 PolarHBondContact O-N 3.21Å; A392-L394 PolarHBondContact O-N 3.16Å; L394-G397 PolarHBondContact O-N 2.94Å; L394-I398 WeakPolarHBondContact O-CG1 3.32Å; L394-I398 PolarHBondContact O-N 2.77Å
395	A	98.8	Very high	97.2	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.5	-44.1	175.2	0	0	0	0	0	112.1	V311 I338 S391 A392 P393 G397 I398 F399 L451	V311-A395 HydrophobicContact CG1-CB 4.12Å; I338-A395 HydrophobicContact CB-CB 4.46Å; I338-A395 HydrophobicContact CD1-CB 3.91Å; I338-A395 HydrophobicContact CG1-CB 3.67Å; I338-A395 HydrophobicContact CG2-CB 4.14Å; S391-A395 PolarHBondContact O-N 2.84Å; S391-A395 VanDerWaalsContact O-N 3.1Å; A392-A395 WeakPolarHBondContact O-CB 3.34Å; A392-A395 PolarHBondContact O-N 3.11Å; P393-A395 VanDerWaalsContact C-N 3.32Å; P393-A395 PolarHBondContact O-N 3.45Å; A395-G397 VanDerWaalsContact C-N 3.29Å; A395-G397 PolarHBondContact O-N 3.44Å; A395-I398 PolarHBondContact O-N 3.06Å; A395-I398 VanDerWaalsContact O-N 3.1Å; A395-F399 HydrophobicContact CB-CE2 4.2Å; A395-F399 HydrophobicContact CB-CZ 4.11Å; A395-F399 WeakPolarHBondContact O-CD1 3.31Å; A395-F399 WeakPolarHBondContact O-CD2 3.34Å; A395-F399 WeakPolarHBondContact O-CG 3.05Å; A395-F399 PolarHBondContact O-N 3.34Å; A395-L451 HydrophobicContact CB-CD1 3.43Å; A395-L451 VanDerWaalsContact CB-CD1 3.43Å
396	A	98.9	Very high	97.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-57.9	-41.2	175.4	0	0	0	0	0	112	I170 I223 I270 V311 A392 P393 F399 A400	I170-A396 HydrophobicContact CG2-CB 4.5Å; I223-A396 HydrophobicContact CD1-CB 4.39Å; I223-A396 HydrophobicContact CG1-CB 4.43Å; I270-A396 HydrophobicContact CG2-CB 3.98Å; V311-A396 HydrophobicContact CB-CB 4.41Å; V311-A396 HydrophobicContact CG2-CB 4.15Å; A392-A396 PolarHBondContact O-N 3.35Å; P393-A396 PolarHBondContact O-N 2.81Å; A396-F399 PolarHBondContact O-N 3.29Å; A396-A400 PolarHBondContact O-N 2.77Å
397	G	98.8	Very high	97.6	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.8	-46.1	172.1	0	0	0	0	0	112.9	V236 A237 P393 L394 A395 F399 A400 L401	V236-G397 VanDerWaalsContact CG1-C 3.43Å; A237-G397 WeakPolarHBondContact CB-O 3.41Å; P393-G397 PolarHBondContact O-N 2.88Å; L394-G397 PolarHBondContact O-N 2.94Å; A395-G397 VanDerWaalsContact C-N 3.29Å; A395-G397 PolarHBondContact O-N 3.44Å; G397-F399 VanDerWaalsContact C-N 3.3Å; G397-F399 PolarHBondContact O-N 2.72Å; G397-A400 WeakPolarHBondContact O-CB 3.23Å; G397-A400 PolarHBondContact O-N 3.18Å; G397-A400 VanDerWaalsContact O-N 3.15Å; G397-L401 WeakPolarHBondContact O-CG 3.3Å; G397-L401 PolarHBondContact O-N 2.89Å; G397-L401 VanDerWaalsContact O-N 3.16Å
398	I	98.9	Very high	97.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.9	-40.3	177	-67.1	173.5	0	0	0	111	L153 V155 V236 L394 A395 A400 L401 A402 L451 A453 L456	L153-I398 HydrophobicContact CB-CD1 4.03Å; L153-I398 HydrophobicContact CD1-CD1 4.12Å; L153-I398 HydrophobicContact CD2-CD1 4.39Å; L153-I398 HydrophobicContact CG-CD1 4.4Å; V155-I398 HydrophobicContact CG1-CG1 4.49Å; V236-I398 HydrophobicContact CG1-CG1 3.87Å; L394-I398 WeakPolarHBondContact O-CG1 3.32Å; L394-I398 PolarHBondContact O-N 2.77Å; A395-I398 PolarHBondContact O-N 3.06Å; A395-I398 VanDerWaalsContact O-N 3.1Å; I398-A400 VanDerWaalsContact C-N 3.29Å; I398-A400 PolarHBondContact O-N 2.79Å; I398-L401 WeakPolarHBondContact O-CB 3.47Å; I398-L401 PolarHBondContact O-N 3.42Å; I398-L401 VanDerWaalsContact O-N 3.16Å; I398-A402 PolarHBondContact O-N 3.37Å; I398-A402 VanDerWaalsContact O-N 3.14Å; I398-L451 HydrophobicContact CD1-CB 3.94Å; I398-L451 HydrophobicContact CD1-CD1 4.19Å; I398-A453 HydrophobicContact CD1-CB 4.25Å; I398-A453 HydrophobicContact CG1-CB 4.04Å; I398-A453 HydrophobicContact CG2-CB 3.87Å; I398-L456 HydrophobicContact CG2-CD1 3.98Å
399	F	98.9	Very high	98.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-65.9	-33.7	177.4	-60.3	-15.8	0	0	0	111.7	I270 I309 V311 I336 I338 A395 A396 G397 L401 A402 L403 L414 V418 L451 L456	I270-F399 HydrophobicContact CD1-CB 3.91Å; I309-F399 HydrophobicContact CG2-CD2 4.32Å; V311-F399 HydrophobicContact CG1-CE2 4.2Å; V311-F399 HydrophobicContact CG2-CD2 3.58Å; V311-F399 HydrophobicContact CG2-CE2 3.74Å; I336-F399 HydrophobicContact CB-CE2 4.26Å; I336-F399 HydrophobicContact CD1-CD2 4.37Å; I336-F399 HydrophobicContact CD1-CE2 3.88Å; I336-F399 HydrophobicContact CD1-CZ 4.39Å; I336-F399 HydrophobicContact CG2-CE2 3.82Å; I336-F399 HydrophobicContact CG2-CZ 3.88Å; I338-F399 HydrophobicContact CD1-CZ 4.32Å; A395-F399 HydrophobicContact CB-CE2 4.2Å; A395-F399 HydrophobicContact CB-CZ 4.11Å; A395-F399 WeakPolarHBondContact O-CD1 3.31Å; A395-F399 WeakPolarHBondContact O-CD2 3.34Å; A395-F399 WeakPolarHBondContact O-CG 3.05Å; A395-F399 PolarHBondContact O-N 3.34Å; A396-F399 PolarHBondContact O-N 3.29Å; G397-F399 VanDerWaalsContact C-N 3.3Å; G397-F399 PolarHBondContact O-N 2.72Å; F399-L401 VanDerWaalsContact C-N 3.34Å; F399-L401 PolarHBondContact O-N 2.96Å; F399-A402 VanDerWaalsContact O-CB 3.29Å; F399-A402 WeakPolarHBondContact O-CB 3.46Å; F399-A402 PolarHBondContact O-N 3.25Å; F399-A402 VanDerWaalsContact O-N 3.16Å; F399-L403 WeakPolarHBondContact O-CG 3.1Å; F399-L403 PolarHBondContact O-N 3.23Å; F399-L414 HydrophobicContact CB-CD2 3.89Å; F399-L414 HydrophobicContact CD1-CD1 4.18Å; F399-L414 HydrophobicContact CD1-CD2 4.32Å; F399-L414 HydrophobicContact CD1-CG 4.49Å; F399-L414 HydrophobicContact CD2-CD2 4.01Å; F399-L414 HydrophobicContact CG-CD1 4.42Å; F399-L414 HydrophobicContact CG-CD2 3.81Å; F399-L414 HydrophobicContact CG-CG 4.45Å; F399-V418 HydrophobicContact CD1-CG2 4.31Å; F399-V418 HydrophobicContact CE1-CG2 3.41Å; F399-V418 VanDerWaalsContact CE1-CG2 3.41Å; F399-V418 HydrophobicContact CZ-CG2 3.72Å; F399-L451 HydrophobicContact CE1-CD1 4.21Å; F399-L451 HydrophobicContact CE1-CD2 4.21Å; F399-L451 HydrophobicContact CZ-CD1 4.33Å; F399-L456 HydrophobicContact CD1-CD1 4.02Å; F399-L456 HydrophobicContact CE1-CD1 3.91Å
400	A	98.9	Very high	98.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.7	-39.5	171.6	0	0	0	0	0	112.3	V168 I170 A237 I270 A396 G397 I398 A402 L403 E404	V168-A400 HydrophobicContact CB-CB 4.15Å; V168-A400 HydrophobicContact CG1-CB 3.86Å; V168-A400 WeakPolarHBondContact CG2-O 3.38Å; I170-A400 HydrophobicContact CD1-CB 3.77Å; I170-A400 HydrophobicContact CG1-CB 4.3Å; A237-A400 HydrophobicContact CB-CB 3.88Å; I270-A400 HydrophobicContact CD1-CB 4.01Å; A396-A400 PolarHBondContact O-N 2.77Å; G397-A400 WeakPolarHBondContact O-CB 3.23Å; G397-A400 PolarHBondContact O-N 3.18Å; G397-A400 VanDerWaalsContact O-N 3.15Å; I398-A400 VanDerWaalsContact C-N 3.29Å; I398-A400 PolarHBondContact O-N 2.79Å; A400-A402 VanDerWaalsContact C-N 3.27Å; A400-A402 PolarHBondContact O-N 3.16Å; A400-L403 PolarHBondContact O-N 2.91Å; A400-E404 PolarHBondContact O-N 3.05Å
401	L	98.9	Very high	98.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.7	-38.8	173	-54.3	179.6	0	0	0	111.6	V158 I163 T164 G165 V236 A237 G397 I398 F399 Q405 V457	V158-L401 HydrophobicContact CB-CD1 4.42Å; V158-L401 HydrophobicContact CG1-CB 4.13Å; V158-L401 HydrophobicContact CG1-CD1 3.95Å; V158-L401 HydrophobicContact CG1-CG 4.45Å; I163-L401 HydrophobicContact CG2-CB 4.11Å; I163-L401 HydrophobicContact CG2-CD2 4.42Å; I163-L401 VanDerWaalsContact CG2-O 3.29Å; I163-L401 WeakPolarHBondContact CG2-O 3.47Å; T164-L401 VanDerWaalsContact C-CD2 3.46Å; G165-L401 VanDerWaalsContact N-CD2 3.34Å; V236-L401 HydrophobicContact CG1-CD1 4.08Å; A237-L401 HydrophobicContact CB-CD2 4Å; A237-L401 HydrophobicContact CB-CG 4.49Å; G397-L401 WeakPolarHBondContact O-CG 3.3Å; G397-L401 PolarHBondContact O-N 2.89Å; G397-L401 VanDerWaalsContact O-N 3.16Å; I398-L401 WeakPolarHBondContact O-CB 3.47Å; I398-L401 PolarHBondContact O-N 3.42Å; I398-L401 VanDerWaalsContact O-N 3.16Å; F399-L401 VanDerWaalsContact C-N 3.34Å; F399-L401 PolarHBondContact O-N 2.96Å; L401-Q405 PolarHBondContact O-N 3.1Å; L401-V457 HydrophobicContact CB-CG2 3.89Å
402	A	98.8	Very high	98.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66	-42	176.8	0	0	0	0	0	112.9	I398 F399 A400 Q405 N406 L414 L456 A460	I398-A402 PolarHBondContact O-N 3.37Å; I398-A402 VanDerWaalsContact O-N 3.14Å; F399-A402 VanDerWaalsContact O-CB 3.29Å; F399-A402 WeakPolarHBondContact O-CB 3.46Å; F399-A402 PolarHBondContact O-N 3.25Å; F399-A402 VanDerWaalsContact O-N 3.16Å; A400-A402 VanDerWaalsContact C-N 3.27Å; A400-A402 PolarHBondContact O-N 3.16Å; A402-Q405 WeakPolarHBondContact O-CB 3.28Å; A402-Q405 PolarHBondContact O-N 3.33Å; A402-N406 PolarHBondContact O-N 3.32Å; A402-L414 HydrophobicContact CB-CD1 4.22Å; A402-L456 HydrophobicContact CB-CD2 3.16Å; A402-A460 HydrophobicContact CB-CB 4.44Å
403	L	98.8	Very high	98.7	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.016	9%	0.088	C	C	.	.	H	α-helix	trans	-71.4	-30.3	179.1	-70.1	-173.8	0	0	0	112.7	V168 D269 I270 I309 F399 A400 Q405 N406 P407 L409	V168-L403 HydrophobicContact CG1-CB 4.31Å; V168-L403 HydrophobicContact CG1-CD1 4.04Å; V168-L403 HydrophobicContact CG2-CB 3.76Å; D269-L403 HydrophobicContact CB-CD1 3.92Å; I270-L403 HydrophobicContact CD1-CD1 3.83Å; I270-L403 HydrophobicContact CG1-CD1 3.86Å; I309-L403 HydrophobicContact CD1-CD1 3.61Å; I309-L403 HydrophobicContact CD1-CD2 3.95Å; I309-L403 HydrophobicContact CD1-CG 4.14Å; F399-L403 WeakPolarHBondContact O-CG 3.1Å; F399-L403 PolarHBondContact O-N 3.23Å; A400-L403 PolarHBondContact O-N 2.91Å; L403-Q405 VanDerWaalsContact C-N 3.33Å; L403-N406 CarbonylContact O-C 2.96Å; L403-N406 PolarHBondContact O-N 3.09Å; L403-P407 VanDerWaalsContact O-CA 3.27Å; L403-P407 WeakPolarHBondContact O-CA 3.45Å; L403-P407 WeakPolarHBondContact O-CD 3.49Å; L403-P407 WeakPolarHBondContact O-CG 3.38Å; L403-L409 HydrophobicContact CD2-CB 4.11Å; L403-L409 HydrophobicContact CD2-CD1 4.45Å
404	E	98.7	Very high	98.7	Very high	48 Å²	48	16.7 Å²	16.7	22%	0.224	9%	0.088	C	C	.	.	H	α-helix	trans	-63.3	-43	169.2	177.9	178.9	-173.5	0	0	110.7	I163 T164 G165 K166 V168 A400	I163-E404 HydrophobicContact CG2-CB 4.16Å; I163-E404 HydrophobicContact CG2-CG 4.24Å; I163-E404 WeakPolarHBondContact CG2-OE2 3.49Å; T164-E404 PolarHBondContact N-OE2 3.23Å; G165-E404 WeakPolarHBondContact CA-OE2 3.48Å; G165-E404 PolarHBondContact N-OE2 3.12Å; K166-E404 WeakPolarHBondContact CB-OE1 3.44Å; K166-E404 VanDerWaalsContact N-CD 3.34Å; K166-E404 PolarHBondContact N-OE2 3.15Å; V168-E404 HydrophobicContact CG2-CB 4.37Å; A400-E404 PolarHBondContact O-N 3.05Å
405	Q	98.4	Very high	98.7	Very high	53 Å²	53	16.8 Å²	16.8	25%	0.248	9%	0.089	C	C	.	.	H	α-helix	trans	-65.3	-39.5	176.8	178.5	61.5	26.8	0	0	112.2	I163 L401 A402 L403 V457 A460	I163-Q405 HydrophobicContact CD1-CB 4.32Å; L401-Q405 PolarHBondContact O-N 3.1Å; A402-Q405 WeakPolarHBondContact O-CB 3.28Å; A402-Q405 PolarHBondContact O-N 3.33Å; L403-Q405 VanDerWaalsContact C-N 3.33Å; Q405-V457 HydrophobicContact CB-CG1 3.98Å; Q405-V457 HydrophobicContact CG-CG1 4.06Å; Q405-A460 HydrophobicContact CG-CB 4.45Å
406	N	98.5	Very high	98.7	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.021	9%	0.089	C	C	.	.			trans	-143.7	92.7	179.8	-172.7	-11.4	0	0	0	111.5	A402 L403 D408 L409 A460 P462	A402-N406 PolarHBondContact O-N 3.32Å; L403-N406 CarbonylContact O-C 2.96Å; L403-N406 PolarHBondContact O-N 3.09Å; N406-D408 PolarHBondContact O-N 3.07Å; N406-D408 VanDerWaalsContact O-N 3.13Å; N406-D408 WeakPolarHBondContact OD1-CB 3.46Å; N406-D408 PolarHBondContact OD1-N 2.79Å; N406-L409 HydrophobicContact CB-CD1 4.16Å; N406-L409 HydrophobicContact CB-CD2 4.39Å; N406-L409 HydrophobicContact CB-CG 3.87Å; N406-L409 WeakPolarHBondContact O-CG 3.47Å; N406-L409 PolarHBondContact O-N 2.86Å; N406-A460 HydrophobicContact CB-CB 4.47Å; N406-A460 WeakPolarHBondContact CB-O 3.34Å; N406-A460 PolarHBondContact ND2-O 3.38Å; N406-P462 HydrophobicContact CB-CG 4.05Å
407	P	98	Very high	98.7	Very high	71 Å²	71	16.9 Å²	16.9	46%	0.461	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-12.9	178.5	-22.3	33.1	0	0	0	113.6	R303 K306 L403	R303-P407 PolarHBondContact NH2-O 2.77Å; K306-P407 WeakPolarHBondContact CD-O 3.44Å; K306-P407 PolarHBondContact NZ-O 3.28Å; L403-P407 VanDerWaalsContact O-CA 3.27Å; L403-P407 WeakPolarHBondContact O-CA 3.45Å; L403-P407 WeakPolarHBondContact O-CD 3.49Å; L403-P407 WeakPolarHBondContact O-CG 3.38Å
408	D	98.1	Very high	98.7	Very high	91 Å²	91	16.9 Å²	16.9	49%	0.487	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-8.5	-176.2	-67.7	-31.7	0	0	0	113.9	K306 N406 T410 H467	K306-D408 VanDerWaalsContact CE-OD1 3.3Å; K306-D408 WeakPolarHBondContact CE-OD1 3.31Å; K306-D408 IonicContact NZ-OD1 3.55Å; K306-D408 PolarHBondContact NZ-OD1 2.89Å; N406-D408 PolarHBondContact O-N 3.07Å; N406-D408 VanDerWaalsContact O-N 3.13Å; N406-D408 WeakPolarHBondContact OD1-CB 3.46Å; N406-D408 PolarHBondContact OD1-N 2.79Å; D408-T410 PolarHBondContact O-N 3.47Å; D408-H467 PolarHBondContact O-CE1 3.12Å
409	L	98.6	Very high	98.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.			trans	-54.9	130.2	175.3	-64.4	177.6	0	0	0	111.7	R303 L403 N406 D413 I417 A460 W465	R303-L409 PolarHBondContact NH1-O 3.49Å; L403-L409 HydrophobicContact CD2-CB 4.11Å; L403-L409 HydrophobicContact CD2-CD1 4.45Å; N406-L409 HydrophobicContact CB-CD1 4.16Å; N406-L409 HydrophobicContact CB-CD2 4.39Å; N406-L409 HydrophobicContact CB-CG 3.87Å; N406-L409 WeakPolarHBondContact O-CG 3.47Å; N406-L409 PolarHBondContact O-N 2.86Å; L409-D413 HydrophobicContact CB-CB 4.29Å; L409-D413 HydrophobicContact CD2-CB 3.92Å; L409-I417 HydrophobicContact CD1-CD1 3.81Å; L409-I417 HydrophobicContact CD2-CD1 3.74Å; L409-I417 HydrophobicContact CG-CD1 4.44Å; L409-A460 HydrophobicContact CD1-CB 3.93Å; L409-W465 VanDerWaalsContact CD2-CD1 3.42Å; L409-W465 HydrophobicContact CD2-CG 4.07Å
410	T	98.7	Very high	98.6	Very high	38 Å²	38	19 Å²	19	23%	0.233	10%	0.097	C	C	.	.			trans	-79.7	165.6	169.3	68.3	0	0	0	0	111.1	K306 D408 R412 D413 L414	K306-T410 CarbonylContact O-C 3.52Å; K306-T410 WeakPolarHBondContact O-CA 3.16Å; K306-T410 WeakPolarHBondContact O-CB 3.38Å; D408-T410 PolarHBondContact O-N 3.47Å; T410-R412 PolarHBondContact O-N 2.93Å; T410-D413 WeakPolarHBondContact CB-OD2 3.37Å; T410-D413 WeakPolarHBondContact CG2-OD2 3.34Å; T410-D413 PolarHBondContact N-OD2 2.89Å; T410-D413 PolarHBondContact O-N 3.21Å; T410-D413 VanDerWaalsContact O-N 3.13Å; T410-D413 PolarHBondContact OG1-N 3.44Å; T410-D413 VanDerWaalsContact OG1-N 3.14Å; T410-D413 PolarHBondContact OG1-OD2 2.94Å; T410-L414 PolarHBondContact O-N 3.27Å; T410-L414 VanDerWaalsContact O-N 3.09Å
411	W	98.6	Very high	98.5	Very high	23 Å²	23	19.4 Å²	19.4	9%	0.087	10%	0.1	C	C	.	.	H	α-helix	trans	-55.1	-37.6	175	70	-85.4	0	0	0	112.8	I299 K306 I333 F334 Q415 K471	I299-W411 HydrophobicContact CB-CD2 4.26Å; I299-W411 HydrophobicContact CB-CG 4.3Å; I299-W411 HydrophobicContact CD1-CZ2 4.13Å; I299-W411 HydrophobicContact CG2-CD2 4.14Å; I299-W411 HydrophobicContact CG2-CG 4.26Å; K306-W411 PolarHBondContact O-N 3.41Å; I333-W411 WeakPolarHBondContact O-CZ3 3.43Å; F334-W411 HydrophobicContact CD1-CH2 4.15Å; F334-W411 HydrophobicContact CD1-CZ3 4.45Å; W411-Q415 PolarHBondContact O-N 3.47Å; W411-K471 HydrophobicContact CH2-CD 4.49Å; W411-K471 HydrophobicContact CZ2-CD 4.26Å
412	R	98.6	Very high	98.4	Very high	19 Å²	19	19.4 Å²	19.4	7%	0.072	10%	0.1	C	C	.	.	H	α-helix	trans	-72.4	-41	175	-84.7	169.3	63	-118.7	3.3	112.9	T410 L414 Q415 H416 V468 P469 E512	T410-R412 PolarHBondContact O-N 2.93Å; R412-L414 PolarHBondContact O-N 3.24Å; R412-Q415 PolarHBondContact O-N 3.18Å; R412-H416 PolarHBondContact O-CD2 3.19Å; R412-H416 VanDerWaalsContact O-CD2 3.29Å; R412-H416 PolarHBondContact O-N 3.32Å; R412-V468 HydrophobicContact CB-CG2 4.16Å; R412-P469 PolarHBondContact NH1-O 3.18Å; R412-P469 VanDerWaalsContact NH1-O 3.08Å; R412-P469 PolarHBondContact NH2-O 3.45Å; R412-E512 IonicContact CZ-OE1 2.8Å; R412-E512 IonicContact CZ-OE2 2.68Å; R412-E512 IonicContact NE-OE1 3.33Å; R412-E512 PolarHBondContact NE-OE1 2.94Å; R412-E512 IonicContact NE-OE2 3.64Å; R412-E512 PolarHBondContact NE-OE2 3.2Å; R412-E512 IonicContact NH2-OE1 3.26Å; R412-E512 PolarHBondContact NH2-OE1 3.33Å; R412-E512 IonicContact NH2-OE2 3.52Å
413	D	98.8	Very high	98.1	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-56.5	-44.5	176.7	-69.7	-56	0	0	0	110.5	L409 T410 H416 I417 W465 H467 V468	L409-D413 HydrophobicContact CB-CB 4.29Å; L409-D413 HydrophobicContact CD2-CB 3.92Å; T410-D413 WeakPolarHBondContact CB-OD2 3.37Å; T410-D413 WeakPolarHBondContact CG2-OD2 3.34Å; T410-D413 PolarHBondContact N-OD2 2.89Å; T410-D413 PolarHBondContact O-N 3.21Å; T410-D413 VanDerWaalsContact O-N 3.13Å; T410-D413 PolarHBondContact OG1-N 3.44Å; T410-D413 VanDerWaalsContact OG1-N 3.14Å; T410-D413 PolarHBondContact OG1-OD2 2.94Å; D413-H416 WeakPolarHBondContact O-CB 3.36Å; D413-H416 PolarHBondContact O-N 3.33Å; D413-I417 VanDerWaalsContact O-CG1 3.29Å; D413-I417 WeakPolarHBondContact O-CG1 3.42Å; D413-I417 PolarHBondContact O-N 2.85Å; D413-W465 HydrophobicContact CB-CZ2 4.01Å; D413-W465 PolarHBondContact OD1-NE1 2.84Å; D413-H467 WeakPolarHBondContact OD1-CA 3.5Å; D413-H467 IonicContact OD1-ND1 2.67Å; D413-H467 IonicContact OD2-CE1 2.65Å; D413-H467 IonicContact OD2-CG 2.89Å; D413-H467 IonicContact OD2-ND1 3.82Å; D413-H467 PolarHBondContact OD2-ND1 3Å; D413-V468 PolarHBondContact OD1-N 3.22Å
414	L	98.8	Very high	97.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.7	-44.1	178.5	-174	64	0	0	0	112	I309 I336 F399 A402 T410 R412 H416 I417 V418 L456	I309-L414 HydrophobicContact CB-CD2 4.44Å; I309-L414 HydrophobicContact CD1-CD2 3.53Å; I309-L414 HydrophobicContact CG1-CD2 3.89Å; I309-L414 HydrophobicContact CG2-CD2 3.71Å; I336-L414 HydrophobicContact CD1-CD2 4.06Å; I336-L414 HydrophobicContact CD1-CG 4.28Å; F399-L414 HydrophobicContact CB-CD2 3.89Å; F399-L414 HydrophobicContact CD1-CD1 4.18Å; F399-L414 HydrophobicContact CD1-CD2 4.32Å; F399-L414 HydrophobicContact CD1-CG 4.49Å; F399-L414 HydrophobicContact CD2-CD2 4.01Å; F399-L414 HydrophobicContact CG-CD1 4.42Å; F399-L414 HydrophobicContact CG-CD2 3.81Å; F399-L414 HydrophobicContact CG-CG 4.45Å; A402-L414 HydrophobicContact CB-CD1 4.22Å; T410-L414 PolarHBondContact O-N 3.27Å; T410-L414 VanDerWaalsContact O-N 3.09Å; R412-L414 PolarHBondContact O-N 3.24Å; L414-H416 VanDerWaalsContact C-N 3.33Å; L414-H416 PolarHBondContact O-N 3.29Å; L414-I417 PolarHBondContact O-N 3.3Å; L414-V418 VanDerWaalsContact O-CG2 3.31Å; L414-V418 WeakPolarHBondContact O-CG2 3.43Å; L414-V418 PolarHBondContact O-N 2.94Å; L414-L456 HydrophobicContact CD1-CD2 4.31Å
415	Q	98.9	Very high	97.4	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.009	11%	0.11	C	C	.	.	H	α-helix	trans	-57.3	-45.1	173.7	-74.6	178.1	-11.3	0	0	111.8	I333 I336 L358 W411 R412 I417 V418 V419 H513 W566	I333-Q415 PolarHBondContact O-NE2 3.36Å; I336-Q415 HydrophobicContact CD1-CG 3.95Å; I336-Q415 HydrophobicContact CG1-CG 3.8Å; L358-Q415 HydrophobicContact CD2-CB 4.08Å; L358-Q415 HydrophobicContact CD2-CG 4Å; W411-Q415 PolarHBondContact O-N 3.47Å; R412-Q415 PolarHBondContact O-N 3.18Å; Q415-I417 PolarHBondContact O-N 2.9Å; Q415-V418 WeakPolarHBondContact O-CB 3.45Å; Q415-V418 PolarHBondContact O-N 2.94Å; Q415-V419 VanDerWaalsContact O-CG2 3.28Å; Q415-V419 WeakPolarHBondContact O-CG2 3.36Å; Q415-V419 PolarHBondContact O-N 3.03Å; Q415-H513 PolarHBondContact OE1-CE1 3.47Å; Q415-H513 PolarHBondContact OE1-NE2 2.7Å; Q415-W566 HydrophobicContact CB-CH2 3.82Å; Q415-W566 HydrophobicContact CB-CZ2 4.34Å
416	H	98.8	Very high	96.9	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-60.8	-43.1	176	-87.2	-92.5	0	0	0	112.9	R412 D413 L414 V418 V419 W420 W465 V468 E512 W566 H607	R412-H416 PolarHBondContact O-CD2 3.19Å; R412-H416 VanDerWaalsContact O-CD2 3.29Å; R412-H416 PolarHBondContact O-N 3.32Å; D413-H416 WeakPolarHBondContact O-CB 3.36Å; D413-H416 PolarHBondContact O-N 3.33Å; L414-H416 VanDerWaalsContact C-N 3.33Å; L414-H416 PolarHBondContact O-N 3.29Å; H416-V418 VanDerWaalsContact C-N 3.33Å; H416-V419 PolarHBondContact O-N 3Å; H416-W420 WeakPolarHBondContact O-CB 3.47Å; H416-W420 PolarHBondContact O-N 3.17Å; H416-W465 HydrophobicContact CB-CH2 3.8Å; H416-W465 HydrophobicContact CB-CZ2 4.14Å; H416-V468 HydrophobicContact CB-CG1 4.24Å; H416-E512 IonicContact CE1-OE1 2.76Å; H416-E512 WeakPolarHBondContact NE2-CG 3.4Å; H416-E512 IonicContact NE2-OE1 3.61Å; H416-E512 PolarHBondContact NE2-OE1 3.21Å; H416-E512 VanDerWaalsContact NE2-OE1 3.07Å; H416-W566 AromaticContact CD2-CZ2 3.59Å; H416-W566 AromaticContact CE1-CE2 3.86Å; H416-W566 AromaticContact CE1-CZ2 3.91Å; H416-W566 AromaticContact CE1-NE1 3.24Å; H416-W566 PolarHBondContact CE1-NE1 2.93Å; H416-W566 AromaticContact CG-CZ2 3.86Å; H416-W566 AromaticContact CG-NE1 3.93Å; H416-W566 AromaticContact ND1-CE2 3.98Å; H416-W566 AromaticContact ND1-NE1 3.28Å; H416-W566 PolarHBondContact ND1-NE1 2.82Å; H416-W566 AromaticContact NE2-CZ2 3.65Å; H416-W566 AromaticContact NE2-NE1 3.87Å; H416-H607 AromaticContact CG-CE1 3.75Å; H416-H607 AromaticContact CG-NE2 3.87Å; H416-H607 AromaticContact ND1-CE1 3.27Å; H416-H607 PolarHBondContact ND1-CE1 2.79Å; H416-H607 VanDerWaalsContact ND1-CE1 3.27Å; H416-H607 AromaticContact ND1-NE2 3.22Å; H416-H607 PolarHBondContact ND1-NE2 3.44Å
417	I	98.7	Very high	96.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.8	-43.5	177	-64.6	169	0	0	0	109.6	L409 D413 L414 Q415 V419 W420 T421 L456 L459 A460 W465	L409-I417 HydrophobicContact CD1-CD1 3.81Å; L409-I417 HydrophobicContact CD2-CD1 3.74Å; L409-I417 HydrophobicContact CG-CD1 4.44Å; D413-I417 VanDerWaalsContact O-CG1 3.29Å; D413-I417 WeakPolarHBondContact O-CG1 3.42Å; D413-I417 PolarHBondContact O-N 2.85Å; L414-I417 PolarHBondContact O-N 3.3Å; Q415-I417 PolarHBondContact O-N 2.9Å; I417-V419 PolarHBondContact O-N 2.91Å; I417-W420 PolarHBondContact O-N 3.19Å; I417-T421 HydrophobicContact CG2-CG2 4.18Å; I417-T421 WeakPolarHBondContact O-CB 3.49Å; I417-T421 WeakPolarHBondContact O-CG2 3.28Å; I417-T421 PolarHBondContact O-N 2.83Å; I417-T421 PolarHBondContact O-OG1 3.04Å; I417-L456 HydrophobicContact CG2-CB 4.37Å; I417-L456 HydrophobicContact CG2-CD2 4.17Å; I417-L456 HydrophobicContact CG2-CG 3.69Å; I417-L459 HydrophobicContact CB-CD2 4.47Å; I417-L459 HydrophobicContact CG1-CD2 4.35Å; I417-L459 HydrophobicContact CG1-CG 4.42Å; I417-L459 HydrophobicContact CG2-CB 4.24Å; I417-L459 HydrophobicContact CG2-CD2 4.07Å; I417-L459 HydrophobicContact CG2-CG 4.33Å; I417-A460 HydrophobicContact CD1-CB 4.15Å; I417-W465 HydrophobicContact CD1-CD2 3.97Å; I417-W465 HydrophobicContact CD1-CE3 4.14Å; I417-W465 HydrophobicContact CD1-CG 4.45Å; I417-W465 HydrophobicContact CD1-CH2 4.43Å; I417-W465 HydrophobicContact CD1-CZ2 4.28Å; I417-W465 HydrophobicContact CD1-CZ3 4.37Å; I417-W465 HydrophobicContact CG1-CD2 4.03Å; I417-W465 HydrophobicContact CG1-CE3 3.77Å; I417-W465 HydrophobicContact CG1-CH2 3.56Å; I417-W465 HydrophobicContact CG1-CZ2 3.84Å; I417-W465 HydrophobicContact CG1-CZ3 3.54Å
418	V	98.8	Very high	96.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.7	-50.7	176	170.1	0	0	0	0	110.9	L358 A359 F399 L414 Q415 H416 W420 T421 S422 L451 L456	L358-V418 HydrophobicContact CD2-CB 4.05Å; L358-V418 HydrophobicContact CD2-CG1 3.76Å; L358-V418 HydrophobicContact CG-CG1 4.06Å; A359-V418 HydrophobicContact CB-CG1 3.57Å; F399-V418 HydrophobicContact CD1-CG2 4.31Å; F399-V418 HydrophobicContact CE1-CG2 3.41Å; F399-V418 VanDerWaalsContact CE1-CG2 3.41Å; F399-V418 HydrophobicContact CZ-CG2 3.72Å; L414-V418 VanDerWaalsContact O-CG2 3.31Å; L414-V418 WeakPolarHBondContact O-CG2 3.43Å; L414-V418 PolarHBondContact O-N 2.94Å; Q415-V418 WeakPolarHBondContact O-CB 3.45Å; Q415-V418 PolarHBondContact O-N 2.94Å; H416-V418 VanDerWaalsContact C-N 3.33Å; V418-W420 VanDerWaalsContact C-N 3.28Å; V418-W420 PolarHBondContact O-N 3.02Å; V418-T421 PolarHBondContact O-N 2.84Å; V418-S422 VanDerWaalsContact O-CB 3.3Å; V418-S422 WeakPolarHBondContact O-CB 3.12Å; V418-S422 PolarHBondContact O-N 2.88Å; V418-S422 PolarHBondContact O-OG 3.16Å; V418-L451 HydrophobicContact CG1-CD2 3.86Å; V418-L451 HydrophobicContact CG2-CD2 4.38Å; V418-L456 HydrophobicContact CG2-CD1 3.9Å
419	V	98.4	Very high	95.9	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-57	-42.5	176.9	171.4	0	0	0	0	111.6	L358 Q415 H416 I417 L440 F448 W566 R612	L358-V419 HydrophobicContact CD1-CG2 3.57Å; L358-V419 HydrophobicContact CD2-CG2 4.47Å; L358-V419 HydrophobicContact CG-CG2 4.13Å; Q415-V419 VanDerWaalsContact O-CG2 3.28Å; Q415-V419 WeakPolarHBondContact O-CG2 3.36Å; Q415-V419 PolarHBondContact O-N 3.03Å; H416-V419 PolarHBondContact O-N 3Å; I417-V419 PolarHBondContact O-N 2.91Å; V419-L440 HydrophobicContact CG1-CD1 3.76Å; V419-F448 HydrophobicContact CB-CD2 4.13Å; V419-F448 HydrophobicContact CB-CE2 4.27Å; V419-F448 HydrophobicContact CB-CG 4.39Å; V419-F448 HydrophobicContact CG1-CD1 3.91Å; V419-F448 HydrophobicContact CG1-CD2 3.95Å; V419-F448 HydrophobicContact CG1-CE1 3.78Å; V419-F448 HydrophobicContact CG1-CE2 3.83Å; V419-F448 HydrophobicContact CG1-CG 3.99Å; V419-F448 HydrophobicContact CG1-CZ 3.74Å; V419-F448 HydrophobicContact CG2-CD2 3.66Å; V419-F448 HydrophobicContact CG2-CE2 3.61Å; V419-F448 HydrophobicContact CG2-CG 4.4Å; V419-F448 HydrophobicContact CG2-CZ 4.31Å; V419-W566 HydrophobicContact CG1-CB 4.38Å; V419-W566 HydrophobicContact CG1-CD2 4.44Å; V419-W566 HydrophobicContact CG1-CG 4.03Å; V419-W566 HydrophobicContact CG2-CD2 3.88Å; V419-W566 HydrophobicContact CG2-CE3 4.05Å; V419-W566 HydrophobicContact CG2-CG 4.3Å; V419-W566 HydrophobicContact CG2-CZ2 4.39Å; V419-W566 HydrophobicContact CG2-CZ3 4.39Å; V419-R612 PolarHBondContact O-NH1 2.97Å
420	W	97.6	Very high	95.6	Very high	44 Å²	44	21.7 Å²	21.7	17%	0.167	12%	0.116	C	C	.	.	H	α-helix	trans	-77.2	-23.5	-175.1	-159	-99.1	0	0	0	114	H416 I417 V418 L440 L459 H607 M608 K610 R612	H416-W420 WeakPolarHBondContact O-CB 3.47Å; H416-W420 PolarHBondContact O-N 3.17Å; I417-W420 PolarHBondContact O-N 3.19Å; V418-W420 VanDerWaalsContact C-N 3.28Å; V418-W420 PolarHBondContact O-N 3.02Å; W420-L440 HydrophobicContact CE3-CD2 4.29Å; W420-L440 HydrophobicContact CZ3-CD2 4.13Å; W420-L459 HydrophobicContact CB-CD2 3.99Å; W420-L459 HydrophobicContact CG-CD2 4.1Å; W420-H607 AromaticContact CD2-CD2 3.77Å; W420-H607 AromaticContact CE3-CD2 3.76Å; W420-H607 WeakPolarHBondContact CH2-O 3.39Å; W420-H607 WeakPolarHBondContact CZ2-O 3.27Å; W420-M608 HydrophobicContact CE3-CE 4.47Å; W420-M608 HydrophobicContact CE3-CG 4.05Å; W420-M608 HydrophobicContact CH2-CB 4.32Å; W420-M608 HydrophobicContact CH2-CG 4.4Å; W420-M608 HydrophobicContact CZ3-CB 4.03Å; W420-M608 HydrophobicContact CZ3-CE 4.03Å; W420-M608 HydrophobicContact CZ3-CG 3.71Å; W420-K610 VanDerWaalsContact CH2-O 3.31Å; W420-K610 WeakPolarHBondContact CH2-O 3.21Å; W420-R612 HydrophobicContact CE3-CB 4.43Å; W420-R612 HydrophobicContact CH2-CB 3.66Å; W420-R612 HydrophobicContact CZ2-CB 3.73Å; W420-R612 HydrophobicContact CZ2-CG 4.31Å; W420-R612 HydrophobicContact CZ3-CB 4.03Å; W420-R612 PolarHBondContact O-NE 3Å; W420-R612 PolarHBondContact O-NH2 3.03Å
421	T	96.6	Very high	95.4	Very high	8 Å²	8	24 Å²	24	5%	0.049	13%	0.131	C	C	.	.	H	α-helix	trans	-112.6	-13	-172.1	60.4	0	0	0	0	114.4	I417 V418 A455 L459	I417-T421 HydrophobicContact CG2-CG2 4.18Å; I417-T421 WeakPolarHBondContact O-CB 3.49Å; I417-T421 WeakPolarHBondContact O-CG2 3.28Å; I417-T421 PolarHBondContact O-N 2.83Å; I417-T421 PolarHBondContact O-OG1 3.04Å; V418-T421 PolarHBondContact O-N 2.84Å; T421-A455 HydrophobicContact CG2-CB 4.17Å; T421-L459 HydrophobicContact CG2-CB 4.02Å; T421-L459 HydrophobicContact CG2-CD2 3.53Å; T421-L459 HydrophobicContact CG2-CG 4.44Å
422	S	96.5	Very high	95.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.147	C	C	.	.			trans	-67.4	131.8	178	-63.4	0	0	0	0	112.1	V418 L450 R612	V418-S422 VanDerWaalsContact O-CB 3.3Å; V418-S422 WeakPolarHBondContact O-CB 3.12Å; V418-S422 PolarHBondContact O-N 2.88Å; V418-S422 PolarHBondContact O-OG 3.16Å; S422-L450 CarbonylContact C-O 3.56Å; S422-L450 WeakPolarHBondContact CA-O 3.43Å; S422-R612 VanDerWaalsContact O-CZ 3.24Å; S422-R612 PolarHBondContact O-NH1 2.72Å; S422-R612 PolarHBondContact O-NH2 3.4Å
423	E	93.6	Very high	95.1	Very high	25 Å²	25	25.7 Å²	25.7	12%	0.117	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-99.7	123.3	-168.9	-60.6	-67.8	-176.8	0	0	112.3	P426 G449 L450 N452 R612 Y617	E423-P426 HydrophobicContact CB-CG 4.39Å; E423-G449 CarbonylContact O-C 3.35Å; E423-G449 WeakPolarHBondContact O-CA 3.31Å; E423-L450 PolarHBondContact N-O 3.23Å; E423-L450 PolarHBondContact O-N 2.47Å; E423-N452 HydrophobicContact CG-CB 4Å; E423-R612 IonicContact OE2-NH2 2.74Å; E423-Y617 HydrophobicContact CB-CD2 3.99Å; E423-Y617 HydrophobicContact CB-CE2 4.13Å; E423-Y617 HydrophobicContact CG-CD2 3.82Å; E423-Y617 HydrophobicContact CG-CE2 3.9Å
424	F	92.9	Very high	95	Very high	15 Å²	15	30.4 Å²	30.4	7%	0.066	17%	0.171	C	C	.	.	S	Bend	trans	-83.3	-28.5	177.8	88.9	-81.7	0	0	0	112.7	L427 A428 W433 M441 Y614 M630	F424-L427 CarbonylContact O-C 3.54Å; F424-L427 WeakPolarHBondContact O-CA 3.5Å; F424-L427 PolarHBondContact O-N 3.32Å; F424-A428 HydrophobicContact CD2-CB 4.11Å; F424-A428 HydrophobicContact CE2-CB 4.03Å; F424-A428 PolarHBondContact O-N 2.95Å; F424-W433 HydrophobicContact CB-CD2 4.4Å; F424-W433 HydrophobicContact CB-CE3 4.03Å; F424-W433 HydrophobicContact CB-CH2 3.67Å; F424-W433 HydrophobicContact CB-CZ2 4.04Å; F424-W433 HydrophobicContact CB-CZ3 3.64Å; F424-M441 HydrophobicContact CB-CB 3.91Å; F424-M441 HydrophobicContact CB-CG 4.49Å; F424-M441 HydrophobicContact CD1-CB 4.08Å; F424-M441 HydrophobicContact CD1-CG 3.8Å; F424-M441 HydrophobicContact CD2-CB 4.45Å; F424-M441 HydrophobicContact CD2-CE 4.26Å; F424-M441 HydrophobicContact CD2-CG 4.26Å; F424-M441 HydrophobicContact CE1-CG 4.08Å; F424-M441 HydrophobicContact CE2-CE 4.4Å; F424-M441 HydrophobicContact CG-CB 3.87Å; F424-M441 HydrophobicContact CG-CG 3.89Å; F424-M441 HydrophobicContact CZ-CG 4.45Å; F424-Y614 AromaticContact CD1-CD1 3.43Å; F424-Y614 HydrophobicContact CD1-CD1 3.43Å; F424-Y614 VanDerWaalsContact CD1-CD1 3.43Å; F424-Y614 AromaticContact CD1-CE1 3.65Å; F424-Y614 HydrophobicContact CD1-CE1 3.65Å; F424-Y614 HydrophobicContact CD1-CG 4.01Å; F424-Y614 AromaticContact CE1-CD1 3.59Å; F424-Y614 HydrophobicContact CE1-CD1 3.59Å; F424-Y614 HydrophobicContact CE1-CD2 4.39Å; F424-Y614 HydrophobicContact CE1-CE1 4.2Å; F424-Y614 AromaticContact CE1-CG 3.69Å; F424-Y614 HydrophobicContact CE1-CG 3.69Å; F424-M630 HydrophobicContact CE1-CE 4.29Å; F424-M630 HydrophobicContact CZ-CE 3.78Å
425	D	89.5	Confident	94.9	Very high	51 Å²	51	37.6 Å²	37.6	27%	0.273	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-55.3	-45.3	-171.5	-180	66.6	0	0	0	113.5	L427 A428 Y617	D425-L427 PolarHBondContact O-N 3.28Å; D425-A428 WeakPolarHBondContact O-CB 3.41Å; D425-A428 PolarHBondContact O-N 3.22Å; D425-A428 VanDerWaalsContact O-N 3.17Å; D425-Y617 WeakPolarHBondContact OD2-CB 3.44Å; D425-Y617 PolarHBondContact OD2-N 2.8Å
426	P	88.6	Confident	94.8	Very high	14 Å²	14	37.9 Å²	37.9	9%	0.091	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-60.8	-19.5	176.3	-24.2	36.1	0	0	0	114.4	E423 L450 Y617	E423-P426 HydrophobicContact CB-CG 4.39Å; P426-L450 HydrophobicContact CB-CD2 4.16Å; P426-L450 HydrophobicContact CG-CD2 4.23Å; P426-Y617 HydrophobicContact CG-CD1 3.58Å; P426-Y617 HydrophobicContact CG-CD2 3.74Å; P426-Y617 HydrophobicContact CG-CE1 3.74Å; P426-Y617 HydrophobicContact CG-CE2 3.93Å; P426-Y617 HydrophobicContact CG-CG 3.54Å
427	L	92.1	Very high	94.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-115.8	6.7	-174.2	-53.6	179.5	0	0	0	112	A341 G345 T360 F424 D425 N429 N430 W433 F446 L450	A341-L427 HydrophobicContact CB-CD2 3.62Å; G345-L427 WeakPolarHBondContact O-CD2 3.46Å; T360-L427 HydrophobicContact CG2-CD1 4.27Å; F424-L427 CarbonylContact O-C 3.54Å; F424-L427 WeakPolarHBondContact O-CA 3.5Å; F424-L427 PolarHBondContact O-N 3.32Å; D425-L427 PolarHBondContact O-N 3.28Å; L427-N429 PolarHBondContact O-N 3.24Å; L427-N429 VanDerWaalsContact O-N 3.16Å; L427-N430 WeakPolarHBondContact O-CB 3.1Å; L427-N430 PolarHBondContact O-N 3.37Å; L427-N430 VanDerWaalsContact O-N 3.16Å; L427-N430 PolarHBondContact O-ND2 3.49Å; L427-W433 HydrophobicContact CB-CZ2 3.87Å; L427-W433 PolarHBondContact O-NE1 2.9Å; L427-F446 HydrophobicContact CB-CD2 4.31Å; L427-F446 HydrophobicContact CB-CE2 4.38Å; L427-F446 HydrophobicContact CD1-CB 3.98Å; L427-F446 HydrophobicContact CD1-CD1 3.8Å; L427-F446 HydrophobicContact CD1-CD2 4.24Å; L427-F446 HydrophobicContact CD1-CE1 4.28Å; L427-F446 HydrophobicContact CD1-CG 3.75Å; L427-L450 HydrophobicContact CD1-CB 4.05Å; L427-L450 HydrophobicContact CG-CB 4.38Å
428	A	91.2	Very high	94.6	Very high	38 Å²	38	41 Å²	41	31%	0.314	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.2	-170.1	0	0	0	0	0	113.9	F424 D425 N430	F424-A428 HydrophobicContact CD2-CB 4.11Å; F424-A428 HydrophobicContact CE2-CB 4.03Å; F424-A428 PolarHBondContact O-N 2.95Å; D425-A428 WeakPolarHBondContact O-CB 3.41Å; D425-A428 PolarHBondContact O-N 3.22Å; D425-A428 VanDerWaalsContact O-N 3.17Å; A428-N430 PolarHBondContact O-N 3.08Å
429	N	89.4	Confident	94.5	Very high	160 Å²	160	41.6 Å²	41.6	86%	0.856	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-3.7	179.3	-67.8	-30.4	0	0	0	114.1	L427	L427-N429 PolarHBondContact O-N 3.24Å; L427-N429 VanDerWaalsContact O-N 3.16Å
430	N	93.1	Very high	94.4	Very high	15 Å²	15	41.6 Å²	41.6	8%	0.08	24%	0.236	C	C	.	.	S	Bend	trans	-88.9	145.8	177.1	-65.3	-92.4	0	0	0	111.3	G345 S347 L427 A428 F446	G345-N430 PolarHBondContact O-ND2 2.58Å; S347-N430 PolarHBondContact N-OD1 2.66Å; L427-N430 WeakPolarHBondContact O-CB 3.1Å; L427-N430 PolarHBondContact O-N 3.37Å; L427-N430 VanDerWaalsContact O-N 3.16Å; L427-N430 PolarHBondContact O-ND2 3.49Å; A428-N430 PolarHBondContact O-N 3.08Å; N430-F446 HydrophobicContact CB-CD2 4.5Å; N430-F446 HydrophobicContact CB-CE2 3.52Å; N430-F446 HydrophobicContact CB-CZ 4.24Å; N430-F446 VanDerWaalsContact CG-CE2 3.43Å
431	P	94.7	Very high	94.4	Very high	86 Å²	86	40.1 Å²	40.1	56%	0.558	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	155.6	178.4	30.5	-35.9	0	0	0	112.2	N443 R445	P431-N443 PolarHBondContact O-ND2 2.63Å; P431-R445 PolarHBondContact O-NH1 3.39Å
432	G	93.9	Very high	94.5	Very high	41 Å²	41	40 Å²	40	42%	0.423	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	4.7	169.5	0	0	0	0	0	115.9	N443	G432-N443 VanDerWaalsContact C-ND2 3.3Å
433	W	96.3	Very high	94.5	Very high	38 Å²	38	40 Å²	40	14%	0.144	23%	0.231	C	C	.	.			trans	-63.3	133.5	169.1	-76.4	109.9	0	0	0	110.7	F424 L427 M441 V442 N443 F446	F424-W433 HydrophobicContact CB-CD2 4.4Å; F424-W433 HydrophobicContact CB-CE3 4.03Å; F424-W433 HydrophobicContact CB-CH2 3.67Å; F424-W433 HydrophobicContact CB-CZ2 4.04Å; F424-W433 HydrophobicContact CB-CZ3 3.64Å; L427-W433 HydrophobicContact CB-CZ2 3.87Å; L427-W433 PolarHBondContact O-NE1 2.9Å; W433-M441 HydrophobicContact CB-CE 3.88Å; W433-M441 HydrophobicContact CE3-CB 4.05Å; W433-M441 HydrophobicContact CE3-CE 4.36Å; W433-M441 HydrophobicContact CZ3-CB 4.19Å; W433-V442 WeakPolarHBondContact CA-O 3.26Å; W433-N443 HydrophobicContact CD2-CB 3.7Å; W433-N443 HydrophobicContact CE3-CB 3.65Å; W433-N443 HydrophobicContact CG-CB 4.32Å; W433-N443 HydrophobicContact CH2-CB 3.94Å; W433-N443 HydrophobicContact CZ2-CB 4.01Å; W433-N443 HydrophobicContact CZ3-CB 3.77Å; W433-N443 PolarHBondContact N-ND2 3.39Å; W433-N443 VanDerWaalsContact N-ND2 3.19Å; W433-F446 HydrophobicContact CH2-CB 4.07Å; W433-F446 HydrophobicContact CZ2-CB 4.04Å; W433-F446 AromaticContact CZ2-CD2 3.85Å; W433-F446 HydrophobicContact CZ2-CD2 3.85Å; W433-F446 HydrophobicContact CZ2-CG 4.34Å
434	K	96	Very high	94.6	Very high	99 Å²	99	40.3 Å²	40.3	43%	0.43	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149.8	175.2	-57.7	-178.6	-169.4	-179.2	0	109.2	M441 V442 T539	K434-M441 CarbonylContact O-C 3.59Å; K434-M441 WeakPolarHBondContact O-CA 3.42Å; K434-V442 PolarHBondContact N-O 2.73Å; K434-V442 PolarHBondContact O-N 3.27Å; K434-T539 PolarHBondContact NZ-O 3.08Å
435	R	96.9	Very high	94.8	Very high	152 Å²	152	41.9 Å²	41.9	57%	0.574	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94	122.2	168.7	-163.6	176.7	-169.9	-154.2	1.2	108.8	G439 L440 M441	R435-G439 PolarHBondContact NE-O 3.01Å; R435-G439 PolarHBondContact NH2-O 3.24Å; R435-L440 CarbonylContact C-O 3.6Å; R435-L440 WeakPolarHBondContact CA-O 3.35Å; R435-M441 HydrophobicContact CB-SD 3.83Å; R435-M441 HydrophobicContact CG-SD 4.1Å
436	N	97.8	Very high	95.1	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.037	23%	0.228	C	C	.	.			trans	-77.5	174.8	178.6	83.7	-4.9	0	0	0	111.7	A438 G439 L440 V442 T538 H564 W566 E568	N436-A438 PolarHBondContact O-N 3Å; N436-A438 WeakPolarHBondContact OD1-CA 3.45Å; N436-A438 WeakPolarHBondContact OD1-CB 3.38Å; N436-A438 PolarHBondContact OD1-N 2.96Å; N436-G439 PolarHBondContact O-N 3.28Å; N436-G439 PolarHBondContact OD1-N 3.05Å; N436-G439 VanDerWaalsContact OD1-N 3.1Å; N436-L440 PolarHBondContact N-O 2.61Å; N436-L440 PolarHBondContact OD1-N 2.89Å; N436-L440 PolarHBondContact OD1-O 2.97Å; N436-V442 HydrophobicContact CB-CG1 4.48Å; N436-T538 WeakPolarHBondContact CA-OG1 3.46Å; N436-T538 HydrophobicContact CB-CG2 3.95Å; N436-H564 VanDerWaalsContact CB-O 3.25Å; N436-H564 WeakPolarHBondContact CB-O 3.22Å; N436-H564 PolarHBondContact ND2-O 2.95Å; N436-W566 PolarHBondContact ND2-O 3.37Å; N436-W566 VanDerWaalsContact ND2-O 3.09Å; N436-E568 WeakPolarHBondContact CB-OE1 3.34Å
437	G	96.9	Very high	95.6	Very high	45 Å²	45	38.8 Å²	38.8	46%	0.464	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.8	-178.5	0	0	0	0	0	114.7	G439 T538 E568	G437-G439 VanDerWaalsContact C-N 3.35Å; G437-T538 PolarHBondContact N-OG1 3.22Å; G437-T538 VanDerWaalsContact N-OG1 3.12Å; G437-E568 PolarHBondContact N-OE1 2.84Å
438	A	96.3	Very high	95.9	Very high	23 Å²	23	38.8 Å²	38.8	19%	0.19	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-1.8	172.7	0	0	0	0	0	113.1	N436 W566 E568	N436-A438 PolarHBondContact O-N 3Å; N436-A438 WeakPolarHBondContact OD1-CA 3.45Å; N436-A438 WeakPolarHBondContact OD1-CB 3.38Å; N436-A438 PolarHBondContact OD1-N 2.96Å; A438-W566 WeakPolarHBondContact CB-O 3.28Å; A438-E568 HydrophobicContact CB-CG 4.24Å
439	G	95.9	Very high	96.1	Very high	12 Å²	12	37 Å²	37	12%	0.124	21%	0.209	C	C	.	.	S	Bend	trans	86.6	11.4	179.8	0	0	0	0	0	114.8	R435 N436 G437	R435-G439 PolarHBondContact NE-O 3.01Å; R435-G439 PolarHBondContact NH2-O 3.24Å; N436-G439 PolarHBondContact O-N 3.28Å; N436-G439 PolarHBondContact OD1-N 3.05Å; N436-G439 VanDerWaalsContact OD1-N 3.1Å; G437-G439 VanDerWaalsContact C-N 3.35Å
440	L	97.3	Very high	96.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.168	C	C	.	.			trans	-90.8	138.5	179.6	-57.1	176.2	0	0	0	111.3	V419 W420 R435 N436 F448 M608 R612 Y614	V419-L440 HydrophobicContact CG1-CD1 3.76Å; W420-L440 HydrophobicContact CE3-CD2 4.29Å; W420-L440 HydrophobicContact CZ3-CD2 4.13Å; R435-L440 CarbonylContact C-O 3.6Å; R435-L440 WeakPolarHBondContact CA-O 3.35Å; N436-L440 PolarHBondContact N-O 2.61Å; N436-L440 PolarHBondContact OD1-N 2.89Å; N436-L440 PolarHBondContact OD1-O 2.97Å; L440-F448 HydrophobicContact CB-CD1 4.16Å; L440-F448 HydrophobicContact CB-CE1 3.84Å; L440-F448 HydrophobicContact CD1-CD1 4.4Å; L440-F448 HydrophobicContact CD1-CE1 3.78Å; L440-F448 HydrophobicContact CD1-CZ 4.48Å; L440-F448 HydrophobicContact CG-CE1 4.45Å; L440-M608 HydrophobicContact CD1-CE 4.34Å; L440-R612 HydrophobicContact CD2-CB 3.77Å; L440-R612 HydrophobicContact CD2-CG 4.26Å; L440-Y614 WeakPolarHBondContact CA-OH 3.33Å
441	M	97.5	Very high	96.7	Very high	14 Å²	14	28.7 Å²	28.7	7%	0.069	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	129.8	171.8	-65.3	-56.5	-64.4	0	0	110.4	F424 W433 K434 R435 F448 Y614	F424-M441 HydrophobicContact CB-CB 3.91Å; F424-M441 HydrophobicContact CB-CG 4.49Å; F424-M441 HydrophobicContact CD1-CB 4.08Å; F424-M441 HydrophobicContact CD1-CG 3.8Å; F424-M441 HydrophobicContact CD2-CB 4.45Å; F424-M441 HydrophobicContact CD2-CE 4.26Å; F424-M441 HydrophobicContact CD2-CG 4.26Å; F424-M441 HydrophobicContact CE1-CG 4.08Å; F424-M441 HydrophobicContact CE2-CE 4.4Å; F424-M441 HydrophobicContact CG-CB 3.87Å; F424-M441 HydrophobicContact CG-CG 3.89Å; F424-M441 HydrophobicContact CZ-CG 4.45Å; W433-M441 HydrophobicContact CB-CE 3.88Å; W433-M441 HydrophobicContact CE3-CB 4.05Å; W433-M441 HydrophobicContact CE3-CE 4.36Å; W433-M441 HydrophobicContact CZ3-CB 4.19Å; K434-M441 CarbonylContact O-C 3.59Å; K434-M441 WeakPolarHBondContact O-CA 3.42Å; R435-M441 HydrophobicContact CB-SD 3.83Å; R435-M441 HydrophobicContact CG-SD 4.1Å; M441-F448 WeakPolarHBondContact O-CD1 3.27Å; M441-Y614 HydrophobicContact CB-CE1 4.4Å; M441-Y614 HydrophobicContact CB-CE2 4.5Å; M441-Y614 HydrophobicContact CG-CD2 4.44Å; M441-Y614 HydrophobicContact CG-CE1 4.33Å; M441-Y614 HydrophobicContact CG-CE2 3.87Å; M441-Y614 PolarHBondContact N-OH 3.18Å
442	V	97.4	Very high	96.8	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.024	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	149.1	-179.4	65.7	0	0	0	0	112.1	W433 K434 N436 G447 F448 H564	W433-V442 WeakPolarHBondContact CA-O 3.26Å; K434-V442 PolarHBondContact N-O 2.73Å; K434-V442 PolarHBondContact O-N 3.27Å; N436-V442 HydrophobicContact CB-CG1 4.48Å; V442-G447 CarbonylContact C-O 3.57Å; V442-G447 WeakPolarHBondContact CA-O 3.03Å; V442-F448 HydrophobicContact CB-CD1 4.47Å; V442-F448 HydrophobicContact CB-CE1 4.34Å; V442-H564 HydrophobicContact CG1-CB 4.15Å; V442-H564 HydrophobicContact CG2-CB 4.07Å; V442-H564 WeakPolarHBondContact CG2-CD2 3.29Å
443	N	97.3	Very high	97	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.011	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-147.8	135.5	178.6	-169.9	-48.8	0	0	0	110.5	P431 G432 W433 R445 F446 G447	P431-N443 PolarHBondContact O-ND2 2.63Å; G432-N443 VanDerWaalsContact C-ND2 3.3Å; W433-N443 HydrophobicContact CD2-CB 3.7Å; W433-N443 HydrophobicContact CE3-CB 3.65Å; W433-N443 HydrophobicContact CG-CB 4.32Å; W433-N443 HydrophobicContact CH2-CB 3.94Å; W433-N443 HydrophobicContact CZ2-CB 4.01Å; W433-N443 HydrophobicContact CZ3-CB 3.77Å; W433-N443 PolarHBondContact N-ND2 3.39Å; W433-N443 VanDerWaalsContact N-ND2 3.19Å; N443-R445 PolarHBondContact O-N 3.09Å; N443-R445 VanDerWaalsContact O-N 3.08Å; N443-R445 WeakPolarHBondContact OD1-CB 3.47Å; N443-R445 PolarHBondContact OD1-N 3.31Å; N443-F446 HydrophobicContact CB-CB 4.43Å; N443-F446 HydrophobicContact CB-CD2 4.36Å; N443-F446 PolarHBondContact O-N 3.12Å; N443-G447 PolarHBondContact N-O 3.43Å; N443-G447 WeakPolarHBondContact O-CA 3.43Å; N443-G447 PolarHBondContact O-N 2.58Å
444	S	95.6	Very high	96.9	Very high	31 Å²	31	25.1 Å²	25.1	22%	0.217	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-12.5	179.2	54.4	0	0	0	0	115.1	K353 C354	K353-S444 CarbonylContact C-O 3.51Å; K353-S444 VanDerWaalsContact CA-O 3.27Å; K353-S444 WeakPolarHBondContact CA-O 3.14Å; C354-S444 PolarHBondContact N-O 3.15Å; C354-S444 WeakPolarHBondContact O-CA 3.34Å; C354-S444 VanDerWaalsContact O-O 3.09Å
445	R	96.1	Very high	96.9	Very high	48 Å²	48	21.5 Å²	21.5	18%	0.181	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-29	171.5	-70.4	168.4	179.4	83.5	-2.1	112.9	S339 K353 P431 N443	S339-R445 VanDerWaalsContact CB-O 3.25Å; S339-R445 WeakPolarHBondContact CB-O 3.44Å; S339-R445 PolarHBondContact OG-O 2.88Å; K353-R445 HydrophobicContact CD-CG 3.96Å; K353-R445 HydrophobicContact CG-CG 3.77Å; P431-R445 PolarHBondContact O-NH1 3.39Å; N443-R445 PolarHBondContact O-N 3.09Å; N443-R445 VanDerWaalsContact O-N 3.08Å; N443-R445 WeakPolarHBondContact OD1-CB 3.47Å; N443-R445 PolarHBondContact OD1-N 3.31Å
446	F	97.6	Very high	96.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.3	-0.4	-162.6	-57.4	-59.4	0	0	0	115	A341 A359 T360 L427 N430 W433 N443 F448 G449	A341-F446 HydrophobicContact CB-CE1 4.35Å; A359-F446 CarbonylContact C-O 3.6Å; T360-F446 HydrophobicContact CG2-CD1 3.95Å; T360-F446 WeakPolarHBondContact OG1-CA 3.5Å; T360-F446 WeakPolarHBondContact OG1-CB 3.4Å; T360-F446 WeakPolarHBondContact OG1-CD1 3.38Å; T360-F446 PolarHBondContact OG1-O 2.96Å; L427-F446 HydrophobicContact CB-CD2 4.31Å; L427-F446 HydrophobicContact CB-CE2 4.38Å; L427-F446 HydrophobicContact CD1-CB 3.98Å; L427-F446 HydrophobicContact CD1-CD1 3.8Å; L427-F446 HydrophobicContact CD1-CD2 4.24Å; L427-F446 HydrophobicContact CD1-CE1 4.28Å; L427-F446 HydrophobicContact CD1-CG 3.75Å; N430-F446 HydrophobicContact CB-CD2 4.5Å; N430-F446 HydrophobicContact CB-CE2 3.52Å; N430-F446 HydrophobicContact CB-CZ 4.24Å; N430-F446 VanDerWaalsContact CG-CE2 3.43Å; W433-F446 HydrophobicContact CH2-CB 4.07Å; W433-F446 HydrophobicContact CZ2-CB 4.04Å; W433-F446 AromaticContact CZ2-CD2 3.85Å; W433-F446 HydrophobicContact CZ2-CD2 3.85Å; W433-F446 HydrophobicContact CZ2-CG 4.34Å; N443-F446 HydrophobicContact CB-CB 4.43Å; N443-F446 HydrophobicContact CB-CD2 4.36Å; N443-F446 PolarHBondContact O-N 3.12Å; F446-F448 PolarHBondContact O-N 3.25Å; F446-G449 PolarHBondContact O-N 3.12Å
447	G	98.1	Very high	97	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	56.8	-127.8	-168.8	0	0	0	0	0	110.9	T357 V442 N443 G449	T357-G447 WeakPolarHBondContact O-CA 3.42Å; V442-G447 CarbonylContact C-O 3.57Å; V442-G447 WeakPolarHBondContact CA-O 3.03Å; N443-G447 PolarHBondContact N-O 3.43Å; N443-G447 WeakPolarHBondContact O-CA 3.43Å; N443-G447 PolarHBondContact O-N 2.58Å; G447-G449 VanDerWaalsContact C-N 3.31Å
448	F	98.2	Very high	97	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-4.3	177.6	-69.5	-80.8	0	0	0	114.4	L358 V419 L440 M441 V442 F446 V563 W566	L358-F448 HydrophobicContact CD1-CD2 4.24Å; L358-F448 HydrophobicContact CD1-CE2 4.17Å; L358-F448 WeakPolarHBondContact O-CD2 3.38Å; L358-F448 PolarHBondContact O-N 3.26Å; V419-F448 HydrophobicContact CB-CD2 4.13Å; V419-F448 HydrophobicContact CB-CE2 4.27Å; V419-F448 HydrophobicContact CB-CG 4.39Å; V419-F448 HydrophobicContact CG1-CD1 3.91Å; V419-F448 HydrophobicContact CG1-CD2 3.95Å; V419-F448 HydrophobicContact CG1-CE1 3.78Å; V419-F448 HydrophobicContact CG1-CE2 3.83Å; V419-F448 HydrophobicContact CG1-CG 3.99Å; V419-F448 HydrophobicContact CG1-CZ 3.74Å; V419-F448 HydrophobicContact CG2-CD2 3.66Å; V419-F448 HydrophobicContact CG2-CE2 3.61Å; V419-F448 HydrophobicContact CG2-CG 4.4Å; V419-F448 HydrophobicContact CG2-CZ 4.31Å; L440-F448 HydrophobicContact CB-CD1 4.16Å; L440-F448 HydrophobicContact CB-CE1 3.84Å; L440-F448 HydrophobicContact CD1-CD1 4.4Å; L440-F448 HydrophobicContact CD1-CE1 3.78Å; L440-F448 HydrophobicContact CD1-CZ 4.48Å; L440-F448 HydrophobicContact CG-CE1 4.45Å; M441-F448 WeakPolarHBondContact O-CD1 3.27Å; V442-F448 HydrophobicContact CB-CD1 4.47Å; V442-F448 HydrophobicContact CB-CE1 4.34Å; F446-F448 PolarHBondContact O-N 3.25Å; F448-V563 HydrophobicContact CE2-CB 4.17Å; F448-V563 HydrophobicContact CE2-CG2 3.98Å; F448-V563 VanDerWaalsContact CZ-O 3.23Å; F448-V563 WeakPolarHBondContact CZ-O 3.44Å; F448-W566 HydrophobicContact CE1-CB 4.47Å; F448-W566 HydrophobicContact CE2-CB 4.32Å; F448-W566 HydrophobicContact CZ-CB 3.62Å; F448-W566 HydrophobicContact CZ-CG 4.44Å
449	G	96.8	Very high	97	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.077	C	C	.	.			trans	124.3	-165.9	175.7	0	0	0	0	0	114.6	T360 E423 F446 G447	T360-G449 PolarHBondContact N-O 2.77Å; E423-G449 CarbonylContact O-C 3.35Å; E423-G449 WeakPolarHBondContact O-CA 3.31Å; F446-G449 PolarHBondContact O-N 3.12Å; G447-G449 VanDerWaalsContact C-N 3.31Å
450	L	97	Very high	97.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-74.5	135.2	-178.5	-169.9	75.8	0	0	0	110.9	L153 A341 T360 Y362 S422 E423 P426 L427	L153-L450 HydrophobicContact CD2-CD1 4.15Å; L153-L450 HydrophobicContact CD2-CG 4.21Å; A341-L450 HydrophobicContact CB-CD1 4.47Å; T360-L450 HydrophobicContact CG2-CD1 4.25Å; T360-L450 CarbonylContact O-C 3.26Å; T360-L450 WeakPolarHBondContact O-CA 3.39Å; Y362-L450 HydrophobicContact CD1-CD1 4.21Å; Y362-L450 HydrophobicContact CD2-CD1 4.31Å; Y362-L450 HydrophobicContact CE1-CD1 3.99Å; Y362-L450 HydrophobicContact CE1-CD2 4.23Å; Y362-L450 HydrophobicContact CE2-CD1 4.09Å; Y362-L450 HydrophobicContact CE2-CD2 3.68Å; Y362-L450 HydrophobicContact CE2-CG 4.43Å; Y362-L450 HydrophobicContact CG-CD1 4.36Å; Y362-L450 VanDerWaalsContact CZ-CD2 3.44Å; Y362-L450 WeakPolarHBondContact OH-CD2 3.3Å; S422-L450 CarbonylContact C-O 3.56Å; S422-L450 WeakPolarHBondContact CA-O 3.43Å; E423-L450 PolarHBondContact N-O 3.23Å; E423-L450 PolarHBondContact O-N 2.47Å; P426-L450 HydrophobicContact CB-CD2 4.16Å; P426-L450 HydrophobicContact CG-CD2 4.23Å; L427-L450 HydrophobicContact CD1-CB 4.05Å; L427-L450 HydrophobicContact CG-CB 4.38Å
451	L	97.7	Very high	97.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.			trans	-61.5	138.6	174.3	-68.1	177.3	0	0	0	111.7	L153 I338 A359 T360 A361 A395 I398 F399 V418 L456	L153-L451 HydrophobicContact CD2-CB 4.43Å; I338-L451 HydrophobicContact CD1-CD1 4.35Å; A359-L451 HydrophobicContact CB-CD2 3.71Å; A359-L451 HydrophobicContact CB-CG 4.18Å; T360-L451 PolarHBondContact O-N 3.24Å; A361-L451 HydrophobicContact CB-CD1 4.48Å; A395-L451 HydrophobicContact CB-CD1 3.43Å; A395-L451 VanDerWaalsContact CB-CD1 3.43Å; I398-L451 HydrophobicContact CD1-CB 3.94Å; I398-L451 HydrophobicContact CD1-CD1 4.19Å; F399-L451 HydrophobicContact CE1-CD1 4.21Å; F399-L451 HydrophobicContact CE1-CD2 4.21Å; F399-L451 HydrophobicContact CZ-CD1 4.33Å; V418-L451 HydrophobicContact CG1-CD2 3.86Å; V418-L451 HydrophobicContact CG2-CD2 4.38Å; L451-L456 HydrophobicContact CD2-CD1 4.47Å
452	N	95.9	Very high	97.1	Very high	14 Å²	14	18.5 Å²	18.5	8%	0.075	10%	0.101	C	C	.	.			trans	-124	101.5	175.7	-179.5	-26.1	0	0	0	108.9	H154 E423 K454 A455 L456	H154-N452 WeakPolarHBondContact CB-OD1 3.44Å; E423-N452 HydrophobicContact CG-CB 4Å; N452-K454 VanDerWaalsContact C-N 3.31Å; N452-K454 PolarHBondContact O-N 3.43Å; N452-K454 PolarHBondContact OD1-N 3.35Å; N452-A455 HydrophobicContact CB-CB 3.99Å; N452-A455 PolarHBondContact O-N 3.49Å; N452-A455 PolarHBondContact OD1-N 3.41Å; N452-L456 VanDerWaalsContact O-CB 3.29Å; N452-L456 WeakPolarHBondContact O-CB 3.37Å; N452-L456 PolarHBondContact O-N 2.9Å
453	A	97.8	Very high	97.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.8	-41.4	-172.6	0	0	0	0	0	112.4	L153 V155 V158 I398 L456 V457	L153-A453 VanDerWaalsContact O-CB 3.31Å; L153-A453 WeakPolarHBondContact O-CB 3.46Å; L153-A453 PolarHBondContact O-N 2.82Å; V155-A453 HydrophobicContact CB-CB 4.43Å; V155-A453 HydrophobicContact CG1-CB 3.69Å; V158-A453 HydrophobicContact CG2-CB 4.19Å; I398-A453 HydrophobicContact CD1-CB 4.25Å; I398-A453 HydrophobicContact CG1-CB 4.04Å; I398-A453 HydrophobicContact CG2-CB 3.87Å; A453-L456 PolarHBondContact O-N 3.2Å; A453-V457 WeakPolarHBondContact O-CB 3.33Å; A453-V457 VanDerWaalsContact O-CG2 3.29Å; A453-V457 WeakPolarHBondContact O-CG2 3.48Å; A453-V457 PolarHBondContact O-N 2.95Å
454	K	95.6	Very high	97	Very high	77 Å²	77	25.9 Å²	25.9	34%	0.335	15%	0.153	S	C	.	.	H	α-helix	trans	-61.7	-50.6	176.8	-176	-169.7	179	-64.2	0	111.9	H154 P157 V158 N452 L456 V457 D458	H154-K454 HydrophobicContact CB-CB 4.33Å; H154-K454 PolarHBondContact O-N 3.28Å; P157-K454 HydrophobicContact CB-CB 4.4Å; P157-K454 HydrophobicContact CB-CD 3.74Å; P157-K454 HydrophobicContact CB-CG 4.08Å; P157-K454 HydrophobicContact CG-CD 4.09Å; V158-K454 HydrophobicContact CG2-CB 4.2Å; N452-K454 VanDerWaalsContact C-N 3.31Å; N452-K454 PolarHBondContact O-N 3.43Å; N452-K454 PolarHBondContact OD1-N 3.35Å; K454-L456 VanDerWaalsContact C-N 3.29Å; K454-L456 PolarHBondContact O-N 2.91Å; K454-V457 PolarHBondContact O-N 2.81Å; K454-D458 IonicContact NZ-OD2 3.48Å; K454-D458 PolarHBondContact NZ-OD2 3.44Å; K454-D458 VanDerWaalsContact O-CB 3.25Å; K454-D458 WeakPolarHBondContact O-CB 3.44Å; K454-D458 PolarHBondContact O-N 3.05Å
455	A	95.6	Very high	97.1	Very high	23 Å²	23	24.8 Å²	24.8	19%	0.19	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-40.2	-178.6	0	0	0	0	0	111.5	T421 N452 L459	T421-A455 HydrophobicContact CG2-CB 4.17Å; N452-A455 HydrophobicContact CB-CB 3.99Å; N452-A455 PolarHBondContact O-N 3.49Å; N452-A455 PolarHBondContact OD1-N 3.41Å; A455-L459 WeakPolarHBondContact O-CB 3.49Å; A455-L459 PolarHBondContact O-N 3.02Å
456	L	97.6	Very high	97.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-50	178.1	-165.6	156.7	0	0	0	111.2	I398 F399 A402 L414 I417 V418 L451 N452 A453 K454 L459 A460	I398-L456 HydrophobicContact CG2-CD1 3.98Å; F399-L456 HydrophobicContact CD1-CD1 4.02Å; F399-L456 HydrophobicContact CE1-CD1 3.91Å; A402-L456 HydrophobicContact CB-CD2 3.16Å; L414-L456 HydrophobicContact CD1-CD2 4.31Å; I417-L456 HydrophobicContact CG2-CB 4.37Å; I417-L456 HydrophobicContact CG2-CD2 4.17Å; I417-L456 HydrophobicContact CG2-CG 3.69Å; V418-L456 HydrophobicContact CG2-CD1 3.9Å; L451-L456 HydrophobicContact CD2-CD1 4.47Å; N452-L456 VanDerWaalsContact O-CB 3.29Å; N452-L456 WeakPolarHBondContact O-CB 3.37Å; N452-L456 PolarHBondContact O-N 2.9Å; A453-L456 PolarHBondContact O-N 3.2Å; K454-L456 VanDerWaalsContact C-N 3.29Å; K454-L456 PolarHBondContact O-N 2.91Å; L456-L459 PolarHBondContact O-N 3.38Å; L456-A460 VanDerWaalsContact O-CB 3.31Å; L456-A460 WeakPolarHBondContact O-CB 3.47Å; L456-A460 PolarHBondContact O-N 3.17Å
457	V	98.4	Very high	97.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-40.7	177.8	170.2	0	0	0	0	112.1	V158 I163 L401 Q405 A453 K454 L459 A460 D461	V158-V457 HydrophobicContact CG1-CB 4.4Å; V158-V457 HydrophobicContact CG1-CG1 4.22Å; V158-V457 HydrophobicContact CG1-CG2 3.93Å; V158-V457 HydrophobicContact CG2-CB 4.22Å; V158-V457 HydrophobicContact CG2-CG2 4.13Å; I163-V457 HydrophobicContact CD1-CG1 3.55Å; L401-V457 HydrophobicContact CB-CG2 3.89Å; Q405-V457 HydrophobicContact CB-CG1 3.98Å; Q405-V457 HydrophobicContact CG-CG1 4.06Å; A453-V457 WeakPolarHBondContact O-CB 3.33Å; A453-V457 VanDerWaalsContact O-CG2 3.29Å; A453-V457 WeakPolarHBondContact O-CG2 3.48Å; A453-V457 PolarHBondContact O-N 2.95Å; K454-V457 PolarHBondContact O-N 2.81Å; V457-L459 VanDerWaalsContact C-N 3.32Å; V457-L459 PolarHBondContact O-N 2.78Å; V457-A460 PolarHBondContact O-N 2.93Å; V457-D461 PolarHBondContact O-N 3.46Å
458	D	97.1	Very high	97.2	Very high	46 Å²	46	34.9 Å²	34.9	25%	0.246	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-39.7	177.9	-72.4	-0.5	0	0	0	111.8	K161 K454 D461	K161-D458 IonicContact NZ-OD1 3.69Å; K161-D458 PolarHBondContact NZ-OD1 2.9Å; K161-D458 IonicContact NZ-OD2 3.54Å; K454-D458 IonicContact NZ-OD2 3.48Å; K454-D458 PolarHBondContact NZ-OD2 3.44Å; K454-D458 VanDerWaalsContact O-CB 3.25Å; K454-D458 WeakPolarHBondContact O-CB 3.44Å; K454-D458 PolarHBondContact O-N 3.05Å; D458-D461 WeakPolarHBondContact O-CB 3.3Å
459	L	97.4	Very high	97.2	Very high	26 Å²	26	36.2 Å²	36.2	14%	0.136	20%	0.197	C	C	.	.	H	α-helix	trans	-74.6	-30.5	177	-175.8	60.1	0	0	0	112.2	I417 W420 T421 A455 L456 V457 D461 V464 W465	I417-L459 HydrophobicContact CB-CD2 4.47Å; I417-L459 HydrophobicContact CG1-CD2 4.35Å; I417-L459 HydrophobicContact CG1-CG 4.42Å; I417-L459 HydrophobicContact CG2-CB 4.24Å; I417-L459 HydrophobicContact CG2-CD2 4.07Å; I417-L459 HydrophobicContact CG2-CG 4.33Å; W420-L459 HydrophobicContact CB-CD2 3.99Å; W420-L459 HydrophobicContact CG-CD2 4.1Å; T421-L459 HydrophobicContact CG2-CB 4.02Å; T421-L459 HydrophobicContact CG2-CD2 3.53Å; T421-L459 HydrophobicContact CG2-CG 4.44Å; A455-L459 WeakPolarHBondContact O-CB 3.49Å; A455-L459 PolarHBondContact O-N 3.02Å; L456-L459 PolarHBondContact O-N 3.38Å; V457-L459 VanDerWaalsContact C-N 3.32Å; V457-L459 PolarHBondContact O-N 2.78Å; L459-D461 PolarHBondContact O-N 3.35Å; L459-V464 HydrophobicContact CD1-CG1 4.06Å; L459-W465 HydrophobicContact CD1-CE3 4.09Å; L459-W465 HydrophobicContact CD1-CZ3 4.32Å; L459-W465 HydrophobicContact CD2-CE3 4.43Å; L459-W465 HydrophobicContact CD2-CZ3 4.04Å; L459-W465 HydrophobicContact CG-CE3 3.9Å; L459-W465 HydrophobicContact CG-CZ3 4.02Å; L459-W465 WeakPolarHBondContact O-CB 3.37Å
460	A	98.3	Very high	97.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.7	-21	177.2	0	0	0	0	0	113.5	A402 Q405 N406 L409 I417 L456 V457	A402-A460 HydrophobicContact CB-CB 4.44Å; Q405-A460 HydrophobicContact CG-CB 4.45Å; N406-A460 HydrophobicContact CB-CB 4.47Å; N406-A460 WeakPolarHBondContact CB-O 3.34Å; N406-A460 PolarHBondContact ND2-O 3.38Å; L409-A460 HydrophobicContact CD1-CB 3.93Å; I417-A460 HydrophobicContact CD1-CB 4.15Å; L456-A460 VanDerWaalsContact O-CB 3.31Å; L456-A460 WeakPolarHBondContact O-CB 3.47Å; L456-A460 PolarHBondContact O-N 3.17Å; V457-A460 PolarHBondContact O-N 2.93Å
461	D	97.7	Very high	97.1	Very high	53 Å²	53	45.2 Å²	45.2	28%	0.283	24%	0.238	S	C	.	.			trans	-47	123.3	179.8	-173.1	-32.3	0	0	0	111.5	V457 D458 L459 A463 V464 W465	V457-D461 PolarHBondContact O-N 3.46Å; D458-D461 WeakPolarHBondContact O-CB 3.3Å; L459-D461 PolarHBondContact O-N 3.35Å; D461-A463 PolarHBondContact O-N 3.25Å; D461-A463 VanDerWaalsContact OD1-CB 3.26Å; D461-A463 WeakPolarHBondContact OD1-CB 3.39Å; D461-A463 PolarHBondContact OD1-N 3.15Å; D461-V464 HydrophobicContact CB-CB 4.4Å; D461-V464 HydrophobicContact CB-CG2 4.16Å; D461-V464 CarbonylContact O-C 3.42Å; D461-V464 WeakPolarHBondContact O-CA 3.48Å; D461-V464 PolarHBondContact O-N 3.24Å; D461-W465 PolarHBondContact O-N 2.94Å
462	P	96.9	Very high	97.1	Very high	64 Å²	64	47.2 Å²	47.2	42%	0.416	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.9	179.6	-23.8	32.1	0	0	0	114.7	N406 V464 R466	N406-P462 HydrophobicContact CB-CG 4.05Å; P462-V464 VanDerWaalsContact C-N 3.29Å; P462-R466 PolarHBondContact O-NH1 2.84Å
463	A	96.6	Very high	97.2	Very high	74 Å²	74	50.5 Å²	50.5	61%	0.612	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-30.6	173.9	0	0	0	0	0	112.2	D461	D461-A463 PolarHBondContact O-N 3.25Å; D461-A463 VanDerWaalsContact OD1-CB 3.26Å; D461-A463 WeakPolarHBondContact OD1-CB 3.39Å; D461-A463 PolarHBondContact OD1-N 3.15Å
464	V	95.8	Very high	97.2	Very high	86 Å²	86	50.5 Å²	50.5	52%	0.521	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-49.2	-176.7	-176.3	0	0	0	0	111.2	L459 D461 P462	L459-V464 HydrophobicContact CD1-CG1 4.06Å; D461-V464 HydrophobicContact CB-CB 4.4Å; D461-V464 HydrophobicContact CB-CG2 4.16Å; D461-V464 CarbonylContact O-C 3.42Å; D461-V464 WeakPolarHBondContact O-CA 3.48Å; D461-V464 PolarHBondContact O-N 3.24Å; P462-V464 VanDerWaalsContact C-N 3.29Å
465	W	97.9	Very high	97.3	Very high	8 Å²	8	50.8 Å²	50.8	3%	0.03	27%	0.266	C	S	.	.			trans	-69.2	141.1	-175.3	-167.5	-112.8	0	0	0	112.1	L409 D413 H416 I417 L459 D461 V468 H607	L409-W465 VanDerWaalsContact CD2-CD1 3.42Å; L409-W465 HydrophobicContact CD2-CG 4.07Å; D413-W465 HydrophobicContact CB-CZ2 4.01Å; D413-W465 PolarHBondContact OD1-NE1 2.84Å; H416-W465 HydrophobicContact CB-CH2 3.8Å; H416-W465 HydrophobicContact CB-CZ2 4.14Å; I417-W465 HydrophobicContact CD1-CD2 3.97Å; I417-W465 HydrophobicContact CD1-CE3 4.14Å; I417-W465 HydrophobicContact CD1-CG 4.45Å; I417-W465 HydrophobicContact CD1-CH2 4.43Å; I417-W465 HydrophobicContact CD1-CZ2 4.28Å; I417-W465 HydrophobicContact CD1-CZ3 4.37Å; I417-W465 HydrophobicContact CG1-CD2 4.03Å; I417-W465 HydrophobicContact CG1-CE3 3.77Å; I417-W465 HydrophobicContact CG1-CH2 3.56Å; I417-W465 HydrophobicContact CG1-CZ2 3.84Å; I417-W465 HydrophobicContact CG1-CZ3 3.54Å; L459-W465 HydrophobicContact CD1-CE3 4.09Å; L459-W465 HydrophobicContact CD1-CZ3 4.32Å; L459-W465 HydrophobicContact CD2-CE3 4.43Å; L459-W465 HydrophobicContact CD2-CZ3 4.04Å; L459-W465 HydrophobicContact CG-CE3 3.9Å; L459-W465 HydrophobicContact CG-CZ3 4.02Å; L459-W465 WeakPolarHBondContact O-CB 3.37Å; D461-W465 PolarHBondContact O-N 2.94Å; W465-V468 HydrophobicContact CZ2-CG1 3.99Å; W465-H607 AromaticContact CH2-CE1 3.42Å; W465-H607 VanDerWaalsContact CH2-CE1 3.42Å; W465-H607 WeakPolarHBondContact CH2-CE1 3.28Å; W465-H607 AromaticContact CH2-CG 3.85Å; W465-H607 AromaticContact CH2-ND1 3.28Å; W465-H607 VanDerWaalsContact CH2-ND1 3.28Å; W465-H607 WeakPolarHBondContact CH2-ND1 3.45Å; W465-H607 HydrophobicContact CZ3-CB 3.99Å; W465-H607 AromaticContact CZ3-CG 3.7Å; W465-H607 AromaticContact CZ3-ND1 3.55Å
466	R	97.9	Very high	97.4	Very high	141 Å²	141	50.5 Å²	50.5	53%	0.532	26%	0.262	S	S	.	.			trans	-126.6	125.2	169	-65.1	-67.5	175.2	-104.5	0.4	106.8	P462 V468 E606	P462-R466 PolarHBondContact O-NH1 2.84Å; R466-V468 PolarHBondContact O-N 3.05Å; R466-E606 HydrophobicContact CB-CB 4.12Å; R466-E606 HydrophobicContact CB-CG 4.49Å; R466-E606 HydrophobicContact CG-CG 4.35Å
467	H	97.9	Very high	97.2	Very high	105 Å²	105	58 Å²	58	49%	0.486	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-51.7	139.9	-179.7	-69.8	-67.9	0	0	0	111.2	D408 D413	D408-H467 PolarHBondContact O-CE1 3.12Å; D413-H467 WeakPolarHBondContact OD1-CA 3.5Å; D413-H467 IonicContact OD1-ND1 2.67Å; D413-H467 IonicContact OD2-CE1 2.65Å; D413-H467 IonicContact OD2-CG 2.89Å; D413-H467 IonicContact OD2-ND1 3.82Å; D413-H467 PolarHBondContact OD2-ND1 3Å
468	V	97.9	Very high	96.9	Very high	15 Å²	15	61.2 Å²	61.2	9%	0.091	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-66.6	149	176.2	-60.5	0	0	0	0	110.7	R412 D413 H416 W465 R466 P605	R412-V468 HydrophobicContact CB-CG2 4.16Å; D413-V468 PolarHBondContact OD1-N 3.22Å; H416-V468 HydrophobicContact CB-CG1 4.24Å; W465-V468 HydrophobicContact CZ2-CG1 3.99Å; R466-V468 PolarHBondContact O-N 3.05Å; V468-P605 HydrophobicContact CG1-CB 4.19Å; V468-P605 HydrophobicContact CG1-CG 4.4Å
469	P	97.2	Very high	96.5	Very high	28 Å²	28	65 Å²	65	18%	0.182	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-56.2	167.1	175.9	-23.2	30.5	0	0	0	113.2	R412 K471 T601 E603	R412-P469 PolarHBondContact NH1-O 3.18Å; R412-P469 VanDerWaalsContact NH1-O 3.08Å; R412-P469 PolarHBondContact NH2-O 3.45Å; P469-K471 PolarHBondContact O-N 2.8Å; P469-T601 HydrophobicContact CB-CG2 3.78Å; P469-T601 HydrophobicContact CG-CG2 4.12Å; P469-T601 WeakPolarHBondContact O-CG2 3.26Å; P469-E603 HydrophobicContact CB-CG 4.28Å; P469-E603 HydrophobicContact CG-CG 3.68Å
470	E	95.7	Very high	96.2	Very high	134 Å²	134	68 Å²	68	63%	0.626	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-53.7	133.7	177.3	-165.6	-161.3	146.3	0	0	111.4	K472	E470-K472 PolarHBondContact O-N 2.98Å; E470-K472 IonicContact OE1-NZ 2.75Å; E470-K472 PolarHBondContact OE1-NZ 2.86Å; E470-K472 IonicContact OE2-NZ 3.76Å; E470-K472 PolarHBondContact OE2-NZ 2.64Å
471	K	96.4	Very high	95.9	Very high	55 Å²	55	69.1 Å²	69.1	24%	0.239	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-62.9	128.7	176.9	-172.2	-173.5	172.4	-67.9	0	109.9	W411 P469 H599	W411-K471 HydrophobicContact CH2-CD 4.49Å; W411-K471 HydrophobicContact CZ2-CD 4.26Å; P469-K471 PolarHBondContact O-N 2.8Å; K471-H599 PolarHBondContact NZ-ND1 2.87Å; K471-H599 VanDerWaalsContact NZ-ND1 3.13Å
472	K	97.6	Very high	95.8	Very high	42 Å²	42	73 Å²	73	18%	0.183	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	161.6	170.3	-58.3	-57.3	178.9	-173.7	0	111	E470 E505 I508 G600	E470-K472 PolarHBondContact O-N 2.98Å; E470-K472 IonicContact OE1-NZ 2.75Å; E470-K472 PolarHBondContact OE1-NZ 2.86Å; E470-K472 IonicContact OE2-NZ 3.76Å; E470-K472 PolarHBondContact OE2-NZ 2.64Å; K472-E505 WeakPolarHBondContact CD-O 3.21Å; K472-I508 HydrophobicContact CB-CG1 4.2Å; K472-G600 PolarHBondContact N-O 2.99Å; K472-G600 PolarHBondContact O-N 3.36Å
473	Q	97.9	Very high	95.7	Very high	83 Å²	83	73 Å²	73	39%	0.388	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	121.8	178.2	-176.5	178	-48.9	0	0	110.6	I475 N506 I597 L598	Q473-I475 HydrophobicContact CG-CG1 4.48Å; Q473-N506 WeakPolarHBondContact O-CB 3.34Å; Q473-N506 PolarHBondContact O-ND2 2.72Å; Q473-I597 HydrophobicContact CG-CG2 3.8Å; Q473-L598 WeakPolarHBondContact CA-O 3.5Å
474	C	98.1	Very high	95.6	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.2	176.1	178.7	0	0	0	0	109.3	C501 I508 L598	C474-C501 VanDerWaalsContact CA-SG 3.57Å; C474-C501 HydrophobicContact CB-CB 3.78Å; C474-C501 WeakPolarHBondContact CB-SG 3.49Å; C474-C501 WeakPolarHBondContact SG-CB 3.43Å; C474-C501 PolarHBondContact SG-N 2.87Å; C474-C501 CovalentContact SG-SG 2.04Å; C474-C501 PolarHBondContact SG-SG 3.25Å; C474-I508 HydrophobicContact CB-CD1 3.83Å; C474-I508 HydrophobicContact CB-CG1 4.28Å; C474-L598 HydrophobicContact CB-CB 4.29Å; C474-L598 PolarHBondContact N-O 2.89Å; C474-L598 PolarHBondContact O-N 3.16Å
475	I	97.8	Very high	95.6	Very high	82 Å²	82	76.2 Å²	76.2	42%	0.421	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118.8	177.1	-59	170.9	0	0	0	108.2	Q473 K595 I597	Q473-I475 HydrophobicContact CG-CG1 4.48Å; I475-K595 HydrophobicContact CG2-CB 4.37Å; I475-K595 HydrophobicContact CG2-CD 4.46Å; I475-I597 HydrophobicContact CG1-CG2 4.17Å
476	V	96.8	Very high	95.3	Very high	18 Å²	18	76 Å²	76	11%	0.109	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123.4	176.2	-174.5	0	0	0	0	108.3	I496 T498 L596 L598	V476-I496 HydrophobicContact CG1-CG2 3.73Å; V476-T498 HydrophobicContact CG2-CG2 4.46Å; V476-T498 VanDerWaalsContact CG2-OG1 3.24Å; V476-T498 WeakPolarHBondContact CG2-OG1 3.43Å; V476-L596 HydrophobicContact CB-CB 4.23Å; V476-L596 PolarHBondContact N-O 2.9Å; V476-L596 PolarHBondContact O-N 3.06Å; V476-L598 HydrophobicContact CG2-CD1 4.2Å
477	R	93.7	Very high	94.8	Very high	157 Å²	157	77 Å²	77	59%	0.592	37%	0.372	S	S	*	.			trans	-144.5	155.6	176.9	58.9	179.5	165.2	122	-2.3	110	D479 K595	R477-D479 WeakPolarHBondContact CD-OD1 3.33Å; R477-D479 IonicContact CZ-OD1 3.46Å; R477-D479 IonicContact CZ-OD2 3.85Å; R477-D479 IonicContact NE-OD1 2.96Å; R477-D479 VanDerWaalsContact NH1-CG 3.32Å; R477-D479 IonicContact NH1-OD1 2.65Å; R477-D479 PolarHBondContact NH1-OD1 3.31Å; R477-D479 IonicContact NH1-OD2 3.24Å; R477-D479 PolarHBondContact NH1-OD2 2.77Å; R477-K595 HydrophobicContact CB-CB 4.33Å
478	D	92.1	Very high	93.9	Very high	69 Å²	69	72.6 Å²	72.6	37%	0.369	35%	0.354	S	S	.	.			trans	-109.7	102.5	171.3	176.4	10.1	0	0	0	109.3	S480 F481 W594	D478-S480 PolarHBondContact O-N 2.91Å; D478-S480 WeakPolarHBondContact OD1-CA 3.21Å; D478-S480 WeakPolarHBondContact OD1-CB 3.38Å; D478-S480 PolarHBondContact OD1-N 3.07Å; D478-S480 PolarHBondContact OD1-OG 3.35Å; D478-F481 HydrophobicContact CB-CB 4.13Å; D478-F481 WeakPolarHBondContact O-CB 3.18Å; D478-F481 PolarHBondContact O-N 2.92Å; D478-F481 VanDerWaalsContact O-N 3.07Å; D478-F481 PolarHBondContact OD1-N 2.77Å; D478-W594 HydrophobicContact CB-CH2 4.26Å; D478-W594 HydrophobicContact CB-CZ2 3.73Å
479	D	88.5	Confident	93.1	Very high	126 Å²	126	75 Å²	75	67%	0.674	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.8	179.4	-70.6	-19.3	0	0	0	112.8	R477	R477-D479 WeakPolarHBondContact CD-OD1 3.33Å; R477-D479 IonicContact CZ-OD1 3.46Å; R477-D479 IonicContact CZ-OD2 3.85Å; R477-D479 IonicContact NE-OD1 2.96Å; R477-D479 VanDerWaalsContact NH1-CG 3.32Å; R477-D479 IonicContact NH1-OD1 2.65Å; R477-D479 PolarHBondContact NH1-OD1 3.31Å; R477-D479 IonicContact NH1-OD2 3.24Å; R477-D479 PolarHBondContact NH1-OD2 2.77Å
480	S	91.1	Very high	92.6	Very high	87 Å²	87	74.7 Å²	74.7	61%	0.608	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-5.7	175.2	75.8	0	0	0	0	113.5	D478 Q482	D478-S480 PolarHBondContact O-N 2.91Å; D478-S480 WeakPolarHBondContact OD1-CA 3.21Å; D478-S480 WeakPolarHBondContact OD1-CB 3.38Å; D478-S480 PolarHBondContact OD1-N 3.07Å; D478-S480 PolarHBondContact OD1-OG 3.35Å; S480-Q482 PolarHBondContact O-N 2.75Å; S480-Q482 PolarHBondContact O-NE2 3.22Å
481	F	93.5	Very high	92.5	Very high	24 Å²	24	73.4 Å²	73.4	11%	0.105	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-57.1	122.7	-177	-175.2	-97	0	0	0	111.2	D478 R484 I494 I591 W594	D478-F481 HydrophobicContact CB-CB 4.13Å; D478-F481 WeakPolarHBondContact O-CB 3.18Å; D478-F481 PolarHBondContact O-N 2.92Å; D478-F481 VanDerWaalsContact O-N 3.07Å; D478-F481 PolarHBondContact OD1-N 2.77Å; F481-R484 HydrophobicContact CE2-CG 4.27Å; F481-R484 HydrophobicContact CZ-CG 4.01Å; F481-I494 HydrophobicContact CE2-CD1 3.79Å; F481-I494 HydrophobicContact CE2-CG1 4.28Å; F481-I494 HydrophobicContact CZ-CD1 3.85Å; F481-I591 HydrophobicContact CE1-CG1 4.35Å; F481-I591 HydrophobicContact CE1-CG2 4.42Å; F481-I591 HydrophobicContact CZ-CG1 4.36Å; F481-I591 HydrophobicContact CZ-CG2 3.95Å; F481-W594 AromaticContact CD2-CD1 3.87Å; F481-W594 AromaticContact CD2-NE1 3.18Å; F481-W594 AromaticContact CE1-CD1 3.9Å; F481-W594 AromaticContact CE2-CD1 3.68Å; F481-W594 AromaticContact CE2-NE1 3.31Å; F481-W594 VanDerWaalsContact CE2-NE1 3.31Å; F481-W594 AromaticContact CG-NE1 3.59Å; F481-W594 AromaticContact CZ-CD1 3.7Å; F481-W594 AromaticContact CZ-NE1 3.84Å
482	Q	94.3	Very high	92.4	Very high	136 Å²	136	71.3 Å²	71.3	64%	0.636	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-97.4	143.7	172.1	-62.2	-55.8	-55.3	0	0	109.7	S480 R484	S480-Q482 PolarHBondContact O-N 2.75Å; S480-Q482 PolarHBondContact O-NE2 3.22Å; Q482-R484 PolarHBondContact O-N 2.68Å
483	P	95.4	Very high	92.4	Very high	63 Å²	63	71.9 Å²	71.9	41%	0.409	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-51.3	135.3	175.9	-28.1	35.1	0	0	0	112.1	I591 L592	P483-I591 CarbonylContact C-O 3.47Å; P483-I591 WeakPolarHBondContact CA-O 3.36Å; P483-L592 HydrophobicContact CB-CD2 4.41Å
484	R	95.1	Very high	92.3	Very high	104 Å²	104	68.1 Å²	68.1	39%	0.392	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.3	-179	-61.9	-174.9	-176.3	-173.2	2.1	110.2	F481 Q482 I492 T493 R590 I591	F481-R484 HydrophobicContact CE2-CG 4.27Å; F481-R484 HydrophobicContact CZ-CG 4.01Å; Q482-R484 PolarHBondContact O-N 2.68Å; R484-I492 HydrophobicContact CB-CD1 3.92Å; R484-I492 HydrophobicContact CB-CG2 4.43Å; R484-I492 WeakPolarHBondContact O-CD1 3.2Å; R484-T493 PolarHBondContact NH1-O 3.47Å; R484-R590 CarbonylContact O-C 3.57Å; R484-R590 WeakPolarHBondContact O-CA 3.4Å; R484-R590 VanDerWaalsContact O-CB 3.26Å; R484-R590 WeakPolarHBondContact O-CB 3.35Å; R484-I591 HydrophobicContact CB-CG2 3.81Å; R484-I591 PolarHBondContact N-O 3.24Å; R484-I591 PolarHBondContact O-N 2.99Å
485	E	94.7	Very high	92.3	Very high	123 Å²	123	75 Å²	75	58%	0.575	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	130.6	178.2	-64.7	-68.1	144.3	0	0	111.2	R590	E485-R590 WeakPolarHBondContact OE1-CD 3.47Å
486	L	92.1	Very high	92.3	Very high	3 Å²	3	71.2 Å²	71.2	2%	0.016	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	110.7	174	-175.6	61.6	0	0	0	108.5	I492 Y522 L528 I578 K588 G589	L486-I492 HydrophobicContact CB-CD1 3.67Å; L486-I492 HydrophobicContact CB-CG1 4.43Å; L486-I492 HydrophobicContact CD1-CD1 4.06Å; L486-I492 HydrophobicContact CD1-CG1 3.92Å; L486-I492 HydrophobicContact CG-CD1 4.37Å; L486-Y522 HydrophobicContact CB-CE2 3.97Å; L486-Y522 HydrophobicContact CD2-CD2 3.95Å; L486-Y522 HydrophobicContact CD2-CE2 3.47Å; L486-Y522 VanDerWaalsContact CD2-CE2 3.47Å; L486-Y522 HydrophobicContact CG-CD2 4.45Å; L486-Y522 HydrophobicContact CG-CE2 3.65Å; L486-L528 HydrophobicContact CD2-CD2 3.58Å; L486-I578 HydrophobicContact CD2-CG2 3.85Å; L486-K588 CarbonylContact O-C 3.58Å; L486-K588 WeakPolarHBondContact O-CA 3.31Å; L486-G589 PolarHBondContact N-O 2.94Å; L486-G589 PolarHBondContact O-N 3.45Å
487	K	86.5	Confident	92.3	Very high	162 Å²	162	75 Å²	75	70%	0.704	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	163.2	173.8	-63.7	-178.2	-178.3	177.2	0	110.5	G490	K487-G490 WeakPolarHBondContact O-CA 3.23Å; K487-G490 PolarHBondContact O-N 3.04Å
488	A	80	Confident	92.5	Very high	14 Å²	14	68.4 Å²	68.4	12%	0.116	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	138.3	171.6	0	0	0	0	0	112.7	G490 D580 R584 M585 N587	A488-G490 PolarHBondContact O-N 2.85Å; A488-D580 VanDerWaalsContact CA-OD2 3.25Å; A488-D580 WeakPolarHBondContact CA-OD2 3.35Å; A488-R584 WeakPolarHBondContact CB-O 3.25Å; A488-M585 VanDerWaalsContact CB-CA 3.5Å; A488-N587 HydrophobicContact CB-CB 4.11Å; A488-N587 WeakPolarHBondContact CB-O 3.43Å; A488-N587 PolarHBondContact N-O 2.9Å
489	A	80.4	Confident	92.7	Very high	65 Å²	65	72.3 Å²	72.3	54%	0.537	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	21.9	-173.5	0	0	0	0	0	113.9	D580	A489-D580 PolarHBondContact N-OD2 2.84Å
490	G	86.9	Confident	93.1	Very high	21 Å²	21	66.3 Å²	66.3	22%	0.216	35%	0.349	C	S	.	.			trans	-91.2	168.4	-179.7	0	0	0	0	0	112.2	K487 A488 T579 D580	K487-G490 WeakPolarHBondContact O-CA 3.23Å; K487-G490 PolarHBondContact O-N 3.04Å; A488-G490 PolarHBondContact O-N 2.85Å; G490-T579 WeakPolarHBondContact O-CA 3.32Å; G490-D580 PolarHBondContact O-N 3.23Å; G490-D580 VanDerWaalsContact O-N 3.13Å
491	E	93.4	Very high	93.3	Very high	107 Å²	107	63.1 Å²	63.1	50%	0.5	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.2	179.6	175.5	168.5	136.7	0	0	109.7	T493 K577 T579	E491-T493 PolarHBondContact OE1-OG1 2.83Å; E491-K577 HydrophobicContact CG-CD 4.37Å; E491-K577 HydrophobicContact CG-CG 4.22Å; E491-K577 WeakPolarHBondContact OE1-CE 3.23Å; E491-K577 IonicContact OE1-NZ 3.45Å; E491-K577 PolarHBondContact OE1-NZ 3.41Å; E491-K577 WeakPolarHBondContact OE2-CE 3.47Å; E491-K577 IonicContact OE2-NZ 3.75Å; E491-K577 PolarHBondContact OE2-NZ 3.21Å; E491-T579 HydrophobicContact CB-CG2 3.97Å; E491-T579 HydrophobicContact CG-CG2 3.72Å
492	I	95.2	Very high	93.4	Very high	12 Å²	12	68.7 Å²	68.7	6%	0.062	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.8	167.8	-66.3	172.8	0	0	0	108	R484 L486 I494 K577 I578 I591	R484-I492 HydrophobicContact CB-CD1 3.92Å; R484-I492 HydrophobicContact CB-CG2 4.43Å; R484-I492 WeakPolarHBondContact O-CD1 3.2Å; L486-I492 HydrophobicContact CB-CD1 3.67Å; L486-I492 HydrophobicContact CB-CG1 4.43Å; L486-I492 HydrophobicContact CD1-CD1 4.06Å; L486-I492 HydrophobicContact CD1-CG1 3.92Å; L486-I492 HydrophobicContact CG-CD1 4.37Å; I492-I494 HydrophobicContact CG2-CD1 4.22Å; I492-I494 HydrophobicContact CG2-CG1 3.9Å; I492-K577 WeakPolarHBondContact O-CA 3.38Å; I492-I578 PolarHBondContact N-O 2.87Å; I492-I578 PolarHBondContact O-N 3.34Å; I492-I591 HydrophobicContact CD1-CG2 3.9Å; I492-I591 HydrophobicContact CG2-CG2 4.37Å
493	T	96.8	Very high	93.3	Very high	53 Å²	53	66.1 Å²	66.1	33%	0.325	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.5	172.5	-58.5	0	0	0	0	109.3	R484 E491 T575	R484-T493 PolarHBondContact NH1-O 3.47Å; E491-T493 PolarHBondContact OE1-OG1 2.83Å; T493-T575 HydrophobicContact CG2-CG2 3.59Å
494	I	96.8	Very high	93.3	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.021	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114.1	178	-56.8	173	0	0	0	107.4	F481 I492 I496 L576 I591 W594	F481-I494 HydrophobicContact CE2-CD1 3.79Å; F481-I494 HydrophobicContact CE2-CG1 4.28Å; F481-I494 HydrophobicContact CZ-CD1 3.85Å; I492-I494 HydrophobicContact CG2-CD1 4.22Å; I492-I494 HydrophobicContact CG2-CG1 3.9Å; I494-I496 HydrophobicContact CG2-CD1 4.42Å; I494-I496 HydrophobicContact CG2-CG1 3.88Å; I494-L576 HydrophobicContact CB-CB 4.33Å; I494-L576 HydrophobicContact CD1-CD2 4.3Å; I494-L576 PolarHBondContact N-O 3.38Å; I494-L576 PolarHBondContact O-N 3.49Å; I494-I591 HydrophobicContact CD1-CD1 3.88Å; I494-W594 HydrophobicContact CG2-CZ2 4.04Å
495	E	97.3	Very high	93.3	Very high	144 Å²	144	72.5 Å²	72.5	67%	0.673	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.1	170.9	-65.2	-177.7	174.5	0	0	109.2	P497 T573	E495-P497 WeakPolarHBondContact O-CD 3.21Å; E495-T573 HydrophobicContact CB-CG2 4.03Å; E495-T573 HydrophobicContact CG-CG2 4.48Å
496	I	97.6	Very high	93.3	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.021	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	84.5	-173.9	-53.7	167.7	0	0	0	107.3	V476 I494 T498 W574 L576 W594 L596	V476-I496 HydrophobicContact CG1-CG2 3.73Å; I494-I496 HydrophobicContact CG2-CD1 4.42Å; I494-I496 HydrophobicContact CG2-CG1 3.88Å; I496-T498 PolarHBondContact O-N 2.75Å; I496-W574 HydrophobicContact CB-CB 4.1Å; I496-W574 PolarHBondContact N-O 3.13Å; I496-W574 PolarHBondContact O-N 2.67Å; I496-L576 HydrophobicContact CD1-CB 4.12Å; I496-W594 HydrophobicContact CB-CH2 4.1Å; I496-W594 HydrophobicContact CB-CZ3 4.34Å; I496-W594 HydrophobicContact CD1-CD2 4.33Å; I496-W594 HydrophobicContact CD1-CE3 3.75Å; I496-W594 HydrophobicContact CD1-CH2 3.92Å; I496-W594 HydrophobicContact CD1-CZ2 4.43Å; I496-W594 HydrophobicContact CD1-CZ3 3.54Å; I496-W594 HydrophobicContact CG1-CE3 4.32Å; I496-W594 HydrophobicContact CG1-CH2 3.57Å; I496-W594 HydrophobicContact CG1-CZ2 3.98Å; I496-W594 HydrophobicContact CG1-CZ3 3.75Å; I496-W594 HydrophobicContact CG2-CH2 3.57Å; I496-W594 HydrophobicContact CG2-CZ3 3.68Å; I496-L596 HydrophobicContact CG2-CD2 4.09Å
497	P	97.3	Very high	93.6	Very high	97 Å²	97	69.7 Å²	69.7	63%	0.63	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	126.7	173.8	28.8	-33	0	0	0	109.8	E495	E495-P497 WeakPolarHBondContact O-CD 3.21Å
498	T	96.9	Very high	94.1	Very high	19 Å²	19	62.3 Å²	62.3	12%	0.117	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	147.3	179.8	-174.8	0	0	0	0	111.9	V476 I496 A500 G572	V476-T498 HydrophobicContact CG2-CG2 4.46Å; V476-T498 VanDerWaalsContact CG2-OG1 3.24Å; V476-T498 WeakPolarHBondContact CG2-OG1 3.43Å; I496-T498 PolarHBondContact O-N 2.75Å; T498-A500 VanDerWaalsContact C-N 3.34Å; T498-A500 PolarHBondContact OG1-N 3.35Å; T498-G572 PolarHBondContact N-O 3.26Å; T498-G572 PolarHBondContact O-N 3.3Å
499	K	96.6	Very high	94.9	Very high	150 Å²	150	63.1 Å²	63.1	65%	0.652	36%	0.361	S	S	*	.			trans	-96.6	11.4	166.6	-58.9	-172.8	178.7	-174.4	0	112.1	C501 E502	K499-C501 PolarHBondContact O-N 3.11Å; K499-E502 HydrophobicContact CB-CB 4.03Å; K499-E502 WeakPolarHBondContact O-CB 3.49Å; K499-E502 PolarHBondContact O-N 3.48Å
500	A	96.6	Very high	95.7	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.008	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	43.6	-177.4	0	0	0	0	0	114	T498 E502 A507 I508 P570 L598	T498-A500 VanDerWaalsContact C-N 3.34Å; T498-A500 PolarHBondContact OG1-N 3.35Å; A500-E502 PolarHBondContact O-N 2.84Å; A500-A507 WeakPolarHBondContact O-CA 3.23Å; A500-I508 PolarHBondContact O-N 2.84Å; A500-I508 VanDerWaalsContact O-N 3.07Å; A500-P570 HydrophobicContact CB-CB 4.09Å; A500-P570 HydrophobicContact CB-CG 3.56Å; A500-L598 HydrophobicContact CB-CD1 4.08Å
501	C	96.9	Very high	96.3	Very high	20 Å²	20	59.1 Å²	59.1	14%	0.135	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	23.8	-177.9	-59.5	0	0	0	0	114.5	C474 K499 G503 Q504 N506 A507	C474-C501 VanDerWaalsContact CA-SG 3.57Å; C474-C501 HydrophobicContact CB-CB 3.78Å; C474-C501 WeakPolarHBondContact CB-SG 3.49Å; C474-C501 WeakPolarHBondContact SG-CB 3.43Å; C474-C501 PolarHBondContact SG-N 2.87Å; C474-C501 CovalentContact SG-SG 2.04Å; C474-C501 PolarHBondContact SG-SG 3.25Å; K499-C501 PolarHBondContact O-N 3.11Å; C501-G503 PolarHBondContact O-N 2.99Å; C501-Q504 HydrophobicContact CB-CB 4.44Å; C501-Q504 WeakPolarHBondContact O-CB 3.43Å; C501-Q504 PolarHBondContact O-N 3.23Å; C501-N506 WeakPolarHBondContact CB-OD1 3.49Å; C501-A507 WeakPolarHBondContact O-CA 3.27Å; C501-A507 WeakPolarHBondContact O-CB 3.37Å
502	E	94.7	Very high	96.5	Very high	140 Å²	140	54 Å²	54	65%	0.654	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	132.6	173.8	-175.5	-178.4	-156.2	0	0	112	K499 A500 Q504	K499-E502 HydrophobicContact CB-CB 4.03Å; K499-E502 WeakPolarHBondContact O-CB 3.49Å; K499-E502 PolarHBondContact O-N 3.48Å; A500-E502 PolarHBondContact O-N 2.84Å; E502-Q504 VanDerWaalsContact C-N 3.34Å
503	G	93.2	Very high	96.7	Very high	82 Å²	82	53.5 Å²	53.5	85%	0.845	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-0.4	-176.3	0	0	0	0	0	115.1	C501	C501-G503 PolarHBondContact O-N 2.99Å
504	Q	95	Very high	96.8	Very high	120 Å²	120	51 Å²	51	56%	0.561	28%	0.284	S	S	*	.	S	Bend	trans	-110.6	163.9	174.2	-54	179.2	16	0	0	110.9	C501 E502 N506 A507	C501-Q504 HydrophobicContact CB-CB 4.44Å; C501-Q504 WeakPolarHBondContact O-CB 3.43Å; C501-Q504 PolarHBondContact O-N 3.23Å; E502-Q504 VanDerWaalsContact C-N 3.34Å; Q504-N506 VanDerWaalsContact CB-OD1 3.23Å; Q504-N506 WeakPolarHBondContact CB-OD1 3.47Å; Q504-N506 PolarHBondContact O-N 3.35Å; Q504-N506 PolarHBondContact OE1-OD1 3.07Å; Q504-A507 WeakPolarHBondContact O-CB 3.17Å; Q504-A507 PolarHBondContact O-N 3.32Å
505	E	93.7	Very high	96.8	Very high	181 Å²	181	51.9 Å²	51.9	85%	0.846	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.9	179.2	-66.2	-173.8	168.2	0	0	113.6	K472	K472-E505 WeakPolarHBondContact CD-O 3.21Å
506	N	95.9	Very high	96.9	Very high	46 Å²	46	45.1 Å²	45.1	25%	0.246	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	21.3	178.7	68.8	-29.7	0	0	0	113.3	Q473 C501 Q504	Q473-N506 WeakPolarHBondContact O-CB 3.34Å; Q473-N506 PolarHBondContact O-ND2 2.72Å; C501-N506 WeakPolarHBondContact CB-OD1 3.49Å; Q504-N506 VanDerWaalsContact CB-OD1 3.23Å; Q504-N506 WeakPolarHBondContact CB-OD1 3.47Å; Q504-N506 PolarHBondContact O-N 3.35Å; Q504-N506 PolarHBondContact OE1-OD1 3.07Å
507	A	97.3	Very high	96.9	Very high	21 Å²	21	46.4 Å²	46.4	17%	0.174	26%	0.262	C	S	.	.			trans	-59	139.6	173.9	0	0	0	0	0	111.7	A500 C501 Q504 S602	A500-A507 WeakPolarHBondContact O-CA 3.23Å; C501-A507 WeakPolarHBondContact O-CA 3.27Å; C501-A507 WeakPolarHBondContact O-CB 3.37Å; Q504-A507 WeakPolarHBondContact O-CB 3.17Å; Q504-A507 PolarHBondContact O-N 3.32Å; A507-S602 WeakPolarHBondContact O-CA 3.48Å; A507-S602 WeakPolarHBondContact O-CB 3.49Å; A507-S602 PolarHBondContact O-OG 2.79Å
508	I	98	Very high	96.8	Very high	8 Å²	8	42 Å²	42	4%	0.041	23%	0.233	C	C	.	.			trans	-120	117.9	178.5	-61.2	176	0	0	0	109.4	K472 C474 A500 L511 P570 L598	K472-I508 HydrophobicContact CB-CG1 4.2Å; C474-I508 HydrophobicContact CB-CD1 3.83Å; C474-I508 HydrophobicContact CB-CG1 4.28Å; A500-I508 PolarHBondContact O-N 2.84Å; A500-I508 VanDerWaalsContact O-N 3.07Å; I508-L511 HydrophobicContact CG2-CD2 4.22Å; I508-P570 HydrophobicContact CB-CG 4.17Å; I508-P570 HydrophobicContact CG2-CG 3.81Å; I508-L598 HydrophobicContact CD1-CB 3.69Å; I508-L598 WeakPolarHBondContact CD1-O 3.24Å
509	G	96.4	Very high	96.9	Very high	30 Å²	30	41.4 Å²	41.4	31%	0.309	23%	0.23	S	C	.	.	S	Bend	trans	-102.1	-19.6	174.7	0	0	0	0	0	113.6	T601	G509-T601 PolarHBondContact N-O 3.37Å
510	S	97.7	Very high	96.9	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	122.3	176.2	-162.6	0	0	0	0	110.5	G567 E568 G600 T601	S510-G567 PolarHBondContact OG-O 3.46Å; S510-E568 WeakPolarHBondContact CA-O 3.46Å; S510-G600 WeakPolarHBondContact O-CA 3.43Å; S510-T601 PolarHBondContact N-O 3.14Å; S510-T601 PolarHBondContact O-N 3.44Å
511	L	98.5	Very high	96.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	148.3	-178.2	-80.4	176.2	0	0	0	113.7	I508 V514 G567 E568 P570 W574 L598	I508-L511 HydrophobicContact CG2-CD2 4.22Å; L511-V514 HydrophobicContact CD1-CG2 3.63Å; L511-V514 HydrophobicContact CD2-CG2 3.73Å; L511-V514 HydrophobicContact CG-CG2 4.26Å; L511-G567 PolarHBondContact O-N 2.75Å; L511-E568 HydrophobicContact CD1-CB 4.41Å; L511-E568 PolarHBondContact N-O 3.35Å; L511-P570 HydrophobicContact CD1-CB 3.81Å; L511-P570 HydrophobicContact CD1-CG 4.43Å; L511-P570 HydrophobicContact CD2-CB 3.92Å; L511-P570 HydrophobicContact CD2-CG 3.96Å; L511-P570 HydrophobicContact CG-CB 3.78Å; L511-P570 HydrophobicContact CG-CG 3.87Å; L511-W574 HydrophobicContact CD1-CH2 3.78Å; L511-W574 HydrophobicContact CD1-CZ2 3.76Å; L511-L598 HydrophobicContact CD2-CB 4.03Å; L511-L598 HydrophobicContact CD2-CD2 4.08Å
512	E	98.6	Very high	96.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-75.1	164.2	-68.7	167.1	-174.7	0	0	108.3	R412 H416 W566 H599	R412-E512 IonicContact CZ-OE1 2.8Å; R412-E512 IonicContact CZ-OE2 2.68Å; R412-E512 IonicContact NE-OE1 3.33Å; R412-E512 PolarHBondContact NE-OE1 2.94Å; R412-E512 IonicContact NE-OE2 3.64Å; R412-E512 PolarHBondContact NE-OE2 3.2Å; R412-E512 IonicContact NH2-OE1 3.26Å; R412-E512 PolarHBondContact NH2-OE1 3.33Å; R412-E512 IonicContact NH2-OE2 3.52Å; H416-E512 IonicContact CE1-OE1 2.76Å; H416-E512 WeakPolarHBondContact NE2-CG 3.4Å; H416-E512 IonicContact NE2-OE1 3.61Å; H416-E512 PolarHBondContact NE2-OE1 3.21Å; H416-E512 VanDerWaalsContact NE2-OE1 3.07Å; E512-W566 HydrophobicContact CB-CD2 4.4Å; E512-W566 HydrophobicContact CB-CE3 4.45Å; E512-W566 HydrophobicContact CB-CH2 3.94Å; E512-W566 HydrophobicContact CB-CZ2 3.89Å; E512-W566 HydrophobicContact CB-CZ3 4.23Å; E512-W566 HydrophobicContact CG-CH2 4.33Å; E512-W566 HydrophobicContact CG-CZ2 3.83Å; E512-H599 PolarHBondContact N-O 2.77Å
513	H	98.6	Very high	96.8	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.2	179.6	-46.3	80	0	0	0	110.4	I333 Q415 W566 H599	I333-H513 HydrophobicContact CB-CB 4.35Å; I333-H513 HydrophobicContact CG2-CB 3.64Å; Q415-H513 PolarHBondContact OE1-CE1 3.47Å; Q415-H513 PolarHBondContact OE1-NE2 2.7Å; H513-W566 AromaticContact CE1-CH2 3.68Å; H513-W566 AromaticContact CE1-CZ3 3.76Å; H513-W566 AromaticContact NE2-CH2 3.9Å; H513-W566 AromaticContact NE2-CZ3 3.62Å; H513-H599 HydrophobicContact CB-CB 4Å; H513-H599 PolarHBondContact N-O 2.82Å; H513-H599 WeakPolarHBondContact O-CA 3.39Å; H513-H599 WeakPolarHBondContact O-CB 3.23Å; H513-H599 PolarHBondContact O-N 3.36Å
514	V	98.4	Very high	96.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.8	169.9	175.1	0	0	0	0	108.5	L511 L532 M561 S562 T565 W574 L596 I597 L598	L511-V514 HydrophobicContact CD1-CG2 3.63Å; L511-V514 HydrophobicContact CD2-CG2 3.73Å; L511-V514 HydrophobicContact CG-CG2 4.26Å; V514-L532 HydrophobicContact CG1-CD2 3.77Å; V514-M561 CarbonylContact O-C 3.52Å; V514-M561 WeakPolarHBondContact O-CA 3.26Å; V514-S562 PolarHBondContact N-O 3.42Å; V514-S562 PolarHBondContact O-N 2.73Å; V514-T565 WeakPolarHBondContact CG2-OG1 3.4Å; V514-W574 HydrophobicContact CG1-CH2 4.41Å; V514-W574 HydrophobicContact CG1-CZ3 4.31Å; V514-W574 HydrophobicContact CG2-CH2 3.97Å; V514-L596 HydrophobicContact CG1-CD1 3.59Å; V514-I597 WeakPolarHBondContact CA-O 3.35Å; V514-L598 HydrophobicContact CG1-CD2 4.14Å; V514-L598 HydrophobicContact CG2-CD2 3.99Å
515	Q	98.4	Very high	96.9	Very high	22 Å²	22	25.8 Å²	25.8	10%	0.103	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.4	173.3	-57.6	178.7	-72.6	0	0	110.3	I333 F560 M561 I597 H599	I333-Q515 HydrophobicContact CG2-CG 4.27Å; Q515-F560 CarbonylContact C-O 3.52Å; Q515-F560 VanDerWaalsContact CA-O 3.26Å; Q515-F560 WeakPolarHBondContact CA-O 3.5Å; Q515-M561 HydrophobicContact CG-CB 4.06Å; Q515-M561 HydrophobicContact CG-CG 3.9Å; Q515-I597 HydrophobicContact CB-CB 4.14Å; Q515-I597 HydrophobicContact CB-CD1 4.16Å; Q515-I597 HydrophobicContact CB-CG1 4.34Å; Q515-I597 PolarHBondContact N-O 3.25Å; Q515-I597 PolarHBondContact O-N 2.79Å; Q515-H599 PolarHBondContact OE1-NE2 3.42Å; Q515-H599 VanDerWaalsContact OE1-NE2 3.15Å
516	V	98.1	Very high	97	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.012	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	101.9	167	178.4	0	0	0	0	107	L532 L542 F560 L576 L596	V516-L532 HydrophobicContact CG2-CD1 4.07Å; V516-L532 HydrophobicContact CG2-CD2 3.76Å; V516-L532 HydrophobicContact CG2-CG 4.41Å; V516-L542 HydrophobicContact CB-CD1 3.96Å; V516-L542 HydrophobicContact CG2-CD1 3.77Å; V516-F560 PolarHBondContact N-O 2.81Å; V516-F560 PolarHBondContact O-N 3.34Å; V516-L576 HydrophobicContact CG1-CD1 4.16Å; V516-L576 HydrophobicContact CG1-CD2 3.9Å; V516-L596 HydrophobicContact CG2-CD1 3.91Å
517	E	97.7	Very high	96.9	Very high	31 Å²	31	15.1 Å²	15.1	15%	0.145	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.4	169.1	-165.7	-172.2	67.2	0	0	108.2	N557 W558 D559 W594 K595	E517-N557 HydrophobicContact CG-CB 4.13Å; E517-W558 CarbonylContact C-O 3.58Å; E517-W558 VanDerWaalsContact CA-O 3.25Å; E517-W558 WeakPolarHBondContact CA-O 3.46Å; E517-D559 WeakPolarHBondContact CB-OD1 2.92Å; E517-D559 VanDerWaalsContact CG-OD1 3.29Å; E517-D559 WeakPolarHBondContact CG-OD1 3.48Å; E517-W594 CarbonylContact O-C 3.02Å; E517-W594 WeakPolarHBondContact O-CA 3.44Å; E517-K595 HydrophobicContact CB-CD 4.03Å; E517-K595 VanDerWaalsContact CB-CE 3.49Å; E517-K595 HydrophobicContact CB-CG 3.48Å; E517-K595 VanDerWaalsContact CB-CG 3.48Å; E517-K595 HydrophobicContact CG-CG 4.4Å; E517-K595 PolarHBondContact N-O 3.29Å; E517-K595 PolarHBondContact O-N 2.78Å; E517-K595 VanDerWaalsContact OE1-CD 3.22Å; E517-K595 WeakPolarHBondContact OE1-CD 3.31Å; E517-K595 WeakPolarHBondContact OE1-CE 3.1Å; E517-K595 IonicContact OE1-NZ 2.59Å; E517-K595 PolarHBondContact OE1-NZ 3.13Å; E517-K595 WeakPolarHBondContact OE2-CE 3.43Å; E517-K595 IonicContact OE2-NZ 2.83Å; E517-K595 PolarHBondContact OE2-NZ 2.97Å
518	A	96.6	Very high	96.9	Very high	3 Å²	3	14.1 Å²	14.1	3%	0.025	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.4	178	0	0	0	0	0	112.2	I520 N557 W558	A518-I520 HydrophobicContact CB-CD1 4.07Å; A518-I520 HydrophobicContact CB-CG1 4.02Å; A518-N557 PolarHBondContact O-N 2.93Å; A518-W558 PolarHBondContact N-O 3.3Å; A518-W558 PolarHBondContact O-N 3.15Å; A518-W558 VanDerWaalsContact O-N 3.11Å
519	S	97.4	Very high	96.8	Very high	7 Å²	7	15.9 Å²	15.9	5%	0.049	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113.3	163.9	-64.6	0	0	0	0	109.5	F555 N557 L592 N593	S519-F555 CarbonylContact C-O 3.56Å; S519-F555 VanDerWaalsContact CA-O 3.29Å; S519-F555 WeakPolarHBondContact CA-O 3.32Å; S519-N557 PolarHBondContact OG-N 2.79Å; S519-N557 PolarHBondContact OG-OD1 2.8Å; S519-L592 PolarHBondContact O-N 3.33Å; S519-N593 WeakPolarHBondContact CB-OD1 3.2Å; S519-N593 PolarHBondContact N-O 2.91Å; S519-N593 VanDerWaalsContact N-O 3.12Å; S519-N593 PolarHBondContact N-OD1 3.33Å; S519-N593 PolarHBondContact OG-OD1 2.8Å; S519-N593 VanDerWaalsContact OG-OD1 3.09Å
520	I	97.2	Very high	96.8	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.01	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	117.9	-175.1	-53.3	172.5	0	0	0	108.1	A518 L528 I530 G554 F555 I578 I591	A518-I520 HydrophobicContact CB-CD1 4.07Å; A518-I520 HydrophobicContact CB-CG1 4.02Å; I520-L528 HydrophobicContact CG2-CD1 3.9Å; I520-I530 HydrophobicContact CD1-CD1 3.74Å; I520-G554 CarbonylContact O-C 3.52Å; I520-G554 WeakPolarHBondContact O-CA 3.48Å; I520-F555 HydrophobicContact CB-CB 4.43Å; I520-F555 PolarHBondContact N-O 3.16Å; I520-F555 PolarHBondContact O-N 3.07Å; I520-I578 HydrophobicContact CD1-CD1 3.96Å; I520-I591 HydrophobicContact CG1-CD1 4.48Å; I520-I591 HydrophobicContact CG1-CG1 4.41Å
521	E	96.8	Very high	96.8	Very high	84 Å²	84	15.2 Å²	15.2	39%	0.393	8%	0.076	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.1	168	-67.3	177.3	169.2	0	0	108.3	G589 R590 L592	E521-G589 CarbonylContact O-C 3.57Å; E521-G589 WeakPolarHBondContact O-CA 3.31Å; E521-R590 HydrophobicContact CB-CG 4.3Å; E521-R590 PolarHBondContact N-O 3.48Å; E521-R590 PolarHBondContact O-N 2.96Å; E521-R590 IonicContact OE1-NH2 3.93Å; E521-R590 IonicContact OE2-CZ 2.73Å; E521-R590 VanDerWaalsContact OE2-CZ 3.23Å; E521-R590 IonicContact OE2-NE 2.75Å; E521-R590 PolarHBondContact OE2-NE 3.26Å; E521-R590 IonicContact OE2-NH2 3.79Å; E521-R590 PolarHBondContact OE2-NH2 3.11Å; E521-L592 HydrophobicContact CG-CD1 3.94Å; E521-L592 HydrophobicContact CG-CG 4.28Å
522	Y	95.6	Very high	96.8	Very high	7 Å²	7	15.5 Å²	15.5	3%	0.027	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	142.6	177.1	-147.7	-112.5	0	0	0	111.5	L486 R524 L528 S552 D580 N587	L486-Y522 HydrophobicContact CB-CE2 3.97Å; L486-Y522 HydrophobicContact CD2-CD2 3.95Å; L486-Y522 HydrophobicContact CD2-CE2 3.47Å; L486-Y522 VanDerWaalsContact CD2-CE2 3.47Å; L486-Y522 HydrophobicContact CG-CD2 4.45Å; L486-Y522 HydrophobicContact CG-CE2 3.65Å; Y522-R524 VanDerWaalsContact C-N 3.27Å; Y522-R524 WeakPolarHBondContact CD1-O 3.24Å; Y522-R524 PolarHBondContact O-N 3.36Å; Y522-L528 HydrophobicContact CD1-CD1 4.37Å; Y522-L528 HydrophobicContact CD1-CD2 3.69Å; Y522-L528 HydrophobicContact CD1-CG 3.86Å; Y522-L528 HydrophobicContact CD2-CD2 3.94Å; Y522-L528 HydrophobicContact CE1-CD2 3.85Å; Y522-L528 HydrophobicContact CE1-CG 4.34Å; Y522-L528 HydrophobicContact CE2-CD2 4.11Å; Y522-L528 HydrophobicContact CG-CD1 4.18Å; Y522-L528 HydrophobicContact CG-CD2 3.76Å; Y522-L528 HydrophobicContact CG-CG 4.08Å; Y522-S552 CarbonylContact O-C 3.53Å; Y522-S552 WeakPolarHBondContact O-CA 3.28Å; Y522-D580 VanDerWaalsContact OH-CB 3.25Å; Y522-D580 WeakPolarHBondContact OH-CB 3.49Å; Y522-D580 VanDerWaalsContact OH-CG 3.25Å; Y522-D580 PolarHBondContact OH-OD2 2.92Å; Y522-N587 HydrophobicContact CE1-CB 3.91Å; Y522-N587 WeakPolarHBondContact OH-CB 3.46Å
523	T	94.6	Very high	96.8	Very high	52 Å²	52	17.1 Å²	17.1	32%	0.319	9%	0.087	S	C	.	.	S	Bend	trans	-62.4	-33.3	-178.4	42.9	0	0	0	0	113.4	N587 K588	T523-N587 VanDerWaalsContact OG1-CA 3.3Å; T523-N587 WeakPolarHBondContact OG1-CA 3.25Å; T523-N587 PolarHBondContact OG1-OD1 3.48Å; T523-N587 VanDerWaalsContact OG1-OD1 3.08Å; T523-K588 HydrophobicContact CG2-CG 3.71Å; T523-K588 WeakPolarHBondContact CG2-O 3.22Å; T523-K588 PolarHBondContact N-O 2.82Å; T523-K588 PolarHBondContact OG1-N 3Å; T523-K588 VanDerWaalsContact OG1-N 3.07Å; T523-K588 PolarHBondContact OG1-O 2.91Å
524	R	94.6	Very high	96.8	Very high	19 Å²	19	17.2 Å²	17.2	7%	0.072	9%	0.088	C	C	.	.			trans	-142.6	93.9	178.8	179.9	155.7	176.4	-106.4	-0.3	110.7	Y522 G526 D527 E547	Y522-R524 VanDerWaalsContact C-N 3.27Å; Y522-R524 WeakPolarHBondContact CD1-O 3.24Å; Y522-R524 PolarHBondContact O-N 3.36Å; R524-G526 VanDerWaalsContact C-N 3.26Å; R524-G526 PolarHBondContact O-N 3.38Å; R524-D527 VanDerWaalsContact CD-OD2 3.23Å; R524-D527 WeakPolarHBondContact CD-OD2 2.98Å; R524-D527 VanDerWaalsContact CG-OD2 3.23Å; R524-D527 WeakPolarHBondContact CG-OD2 3.36Å; R524-D527 IonicContact CZ-OD1 3.27Å; R524-D527 VanDerWaalsContact CZ-OD1 3.29Å; R524-D527 IonicContact CZ-OD2 3.47Å; R524-D527 IonicContact NE-OD1 3.54Å; R524-D527 IonicContact NE-OD2 3.81Å; R524-D527 IonicContact NH1-OD1 2.95Å; R524-D527 PolarHBondContact NH1-OD1 2.97Å; R524-D527 IonicContact NH1-OD2 2.77Å; R524-D527 PolarHBondContact NH1-OD2 2.83Å; R524-D527 IonicContact NH2-OD1 3.09Å; R524-D527 PolarHBondContact O-N 3.23Å; R524-D527 VanDerWaalsContact O-N 3.14Å; R524-E547 PolarHBondContact NH2-O 3.22Å
525	R	95.6	Very high	96.8	Very high	22 Å²	22	19.2 Å²	19.2	8%	0.083	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-54	-37.4	-172.6	-176.2	170.7	64.7	-174.7	4.2	114.2	K282 V284 D527 L528 D549 S551 G554 F555	K282-R525 PolarHBondContact O-NH2 2.91Å; V284-R525 VanDerWaalsContact CG2-NH2 3.32Å; R525-D527 PolarHBondContact O-N 2.78Å; R525-D527 VanDerWaalsContact O-N 3.16Å; R525-L528 WeakPolarHBondContact O-CB 3.3Å; R525-L528 WeakPolarHBondContact O-CG 3.49Å; R525-L528 PolarHBondContact O-N 2.87Å; R525-L528 VanDerWaalsContact O-N 3.15Å; R525-D549 WeakPolarHBondContact CG-OD2 3.39Å; R525-D549 IonicContact CZ-OD2 3.68Å; R525-D549 IonicContact NE-OD1 3.98Å; R525-D549 IonicContact NE-OD2 3.07Å; R525-D549 PolarHBondContact NE-OD2 3.47Å; R525-D549 IonicContact NH2-OD1 3.84Å; R525-D549 IonicContact NH2-OD2 3.33Å; R525-S551 WeakPolarHBondContact CB-O 3.21Å; R525-S551 PolarHBondContact N-O 2.8Å; R525-G554 WeakPolarHBondContact CD-O 3.48Å; R525-G554 PolarHBondContact NH1-O 2.93Å; R525-F555 HydrophobicContact CG-CD2 4.02Å; R525-F555 HydrophobicContact CG-CE2 3.38Å; R525-F555 HydrophobicContact CG-CZ 3.68Å
526	G	95.3	Very high	96.8	Very high	2 Å²	2	21 Å²	21	2%	0.021	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-63.5	-17.1	-179	0	0	0	0	0	116	R524 L528 E545 R546 D549	R524-G526 VanDerWaalsContact C-N 3.26Å; R524-G526 PolarHBondContact O-N 3.38Å; G526-L528 VanDerWaalsContact C-N 3.29Å; G526-E545 CarbonylContact O-C 3.56Å; G526-E545 WeakPolarHBondContact O-CA 3.3Å; G526-E545 WeakPolarHBondContact O-CG 3.5Å; G526-R546 VanDerWaalsContact CA-O 3.27Å; G526-R546 WeakPolarHBondContact CA-O 3.28Å; G526-R546 PolarHBondContact O-N 3.12Å; G526-D549 VanDerWaalsContact CA-O 3.29Å; G526-D549 WeakPolarHBondContact CA-O 3.47Å; G526-D549 PolarHBondContact N-O 3.16Å
527	D	94.3	Very high	96.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-84.9	-6.2	179.1	-66.5	-27.7	0	0	0	112.9	R524 R525 T581 N587	R524-D527 VanDerWaalsContact CD-OD2 3.23Å; R524-D527 WeakPolarHBondContact CD-OD2 2.98Å; R524-D527 VanDerWaalsContact CG-OD2 3.23Å; R524-D527 WeakPolarHBondContact CG-OD2 3.36Å; R524-D527 IonicContact CZ-OD1 3.27Å; R524-D527 VanDerWaalsContact CZ-OD1 3.29Å; R524-D527 IonicContact CZ-OD2 3.47Å; R524-D527 IonicContact NE-OD1 3.54Å; R524-D527 IonicContact NE-OD2 3.81Å; R524-D527 IonicContact NH1-OD1 2.95Å; R524-D527 PolarHBondContact NH1-OD1 2.97Å; R524-D527 IonicContact NH1-OD2 2.77Å; R524-D527 PolarHBondContact NH1-OD2 2.83Å; R524-D527 IonicContact NH2-OD1 3.09Å; R524-D527 PolarHBondContact O-N 3.23Å; R524-D527 VanDerWaalsContact O-N 3.14Å; R525-D527 PolarHBondContact O-N 2.78Å; R525-D527 VanDerWaalsContact O-N 3.16Å; D527-T581 PolarHBondContact O-N 3Å; D527-T581 VanDerWaalsContact O-N 3.16Å; D527-N587 PolarHBondContact OD2-ND2 2.81Å
528	L	95.6	Very high	96.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	137.1	177.3	-64.2	175.9	0	0	0	111	L486 I520 Y522 R525 G526 L543 F555 I578	L486-L528 HydrophobicContact CD2-CD2 3.58Å; I520-L528 HydrophobicContact CG2-CD1 3.9Å; Y522-L528 HydrophobicContact CD1-CD1 4.37Å; Y522-L528 HydrophobicContact CD1-CD2 3.69Å; Y522-L528 HydrophobicContact CD1-CG 3.86Å; Y522-L528 HydrophobicContact CD2-CD2 3.94Å; Y522-L528 HydrophobicContact CE1-CD2 3.85Å; Y522-L528 HydrophobicContact CE1-CG 4.34Å; Y522-L528 HydrophobicContact CE2-CD2 4.11Å; Y522-L528 HydrophobicContact CG-CD1 4.18Å; Y522-L528 HydrophobicContact CG-CD2 3.76Å; Y522-L528 HydrophobicContact CG-CG 4.08Å; R525-L528 WeakPolarHBondContact O-CB 3.3Å; R525-L528 WeakPolarHBondContact O-CG 3.49Å; R525-L528 PolarHBondContact O-N 2.87Å; R525-L528 VanDerWaalsContact O-N 3.15Å; G526-L528 VanDerWaalsContact C-N 3.29Å; L528-L543 HydrophobicContact CB-CD2 4.17Å; L528-F555 HydrophobicContact CD1-CD2 4.3Å; L528-F555 HydrophobicContact CD1-CE2 4.18Å; L528-I578 HydrophobicContact CD2-CG2 4.21Å
529	H	96	Very high	96.8	Very high	46 Å²	46	24.7 Å²	24.7	21%	0.213	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122	169.1	178.4	-88.3	0	0	0	108.8	T531 L543 T579 T581	H529-T531 WeakPolarHBondContact CE1-CG2 3.32Å; H529-L543 WeakPolarHBondContact CA-O 3.46Å; H529-T579 PolarHBondContact N-O 2.03Å; H529-T579 PolarHBondContact O-N 3.48Å; H529-T579 PolarHBondContact O-OG1 3.16Å; H529-T581 HydrophobicContact CB-CG2 3.54Å
530	I	97.5	Very high	96.7	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.6	-172.6	-54.5	176.1	0	0	0	109	I520 L542 L543 F560 L576 K577 I578	I520-I530 HydrophobicContact CD1-CD1 3.74Å; I530-L542 HydrophobicContact CB-CB 4.39Å; I530-L542 HydrophobicContact CG2-CB 4.19Å; I530-L542 HydrophobicContact CG2-CD1 4.22Å; I530-L542 PolarHBondContact O-N 3.46Å; I530-L543 HydrophobicContact CB-CB 3.92Å; I530-L543 HydrophobicContact CD1-CB 4.11Å; I530-L543 HydrophobicContact CD1-CD2 3.9Å; I530-L543 HydrophobicContact CG1-CB 4.01Å; I530-L543 HydrophobicContact CG1-CD2 4.22Å; I530-L543 PolarHBondContact N-O 3.42Å; I530-L543 PolarHBondContact O-N 2.87Å; I530-F560 HydrophobicContact CD1-CE1 4.36Å; I530-F560 HydrophobicContact CD1-CE2 3.78Å; I530-F560 HydrophobicContact CD1-CZ 3.67Å; I530-L576 HydrophobicContact CG2-CD1 3.74Å; I530-K577 WeakPolarHBondContact CA-O 3.29Å; I530-I578 HydrophobicContact CG1-CG1 4.39Å; I530-I578 HydrophobicContact CG1-CG2 4.36Å; I530-I578 HydrophobicContact CG2-CG1 4.34Å
531	T	97.9	Very high	96.7	Very high	16 Å²	16	26.6 Å²	26.6	10%	0.098	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.7	177.9	52.3	0	0	0	0	111.3	H529 T540 V541 K577	H529-T531 WeakPolarHBondContact CE1-CG2 3.32Å; T531-T540 CarbonylContact C-O 3.49Å; T531-T540 VanDerWaalsContact CA-O 3.22Å; T531-T540 WeakPolarHBondContact CA-O 3.42Å; T531-V541 HydrophobicContact CG2-CG2 4.1Å; T531-K577 PolarHBondContact N-O 3.29Å; T531-K577 PolarHBondContact O-N 3.08Å; T531-K577 WeakPolarHBondContact OG1-CB 3.33Å; T531-K577 PolarHBondContact OG1-O 3.43Å
532	L	98.4	Very high	96.7	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.9	174.1	-176.6	69.2	0	0	0	108.8	V514 V516 T539 T540 L542 W574 T575 L576 L596	V514-L532 HydrophobicContact CG1-CD2 3.77Å; V516-L532 HydrophobicContact CG2-CD1 4.07Å; V516-L532 HydrophobicContact CG2-CD2 3.76Å; V516-L532 HydrophobicContact CG2-CG 4.41Å; L532-T539 WeakPolarHBondContact O-CA 3.3Å; L532-T540 PolarHBondContact N-O 2.93Å; L532-T540 PolarHBondContact O-N 3.16Å; L532-L542 HydrophobicContact CB-CD1 3.79Å; L532-L542 HydrophobicContact CB-CG 4.07Å; L532-L542 HydrophobicContact CD2-CD1 4.44Å; L532-W574 HydrophobicContact CD1-CE3 3.86Å; L532-W574 HydrophobicContact CD2-CE3 3.8Å; L532-W574 HydrophobicContact CD2-CZ3 3.7Å; L532-W574 HydrophobicContact CG-CE3 3.73Å; L532-W574 HydrophobicContact CG-CZ3 3.99Å; L532-T575 WeakPolarHBondContact CA-O 3.47Å; L532-L576 HydrophobicContact CD1-CB 4.34Å; L532-L596 HydrophobicContact CD2-CD1 4.28Å
533	T	98.6	Very high	96.8	Very high	33 Å²	33	22.4 Å²	22.4	20%	0.202	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.5	174	-56.5	0	0	0	0	110.1	T538 T539 W574 T575	T533-T538 WeakPolarHBondContact CA-O 3.3Å; T533-T539 WeakPolarHBondContact CG2-OG1 3.07Å; T533-T539 WeakPolarHBondContact OG1-CG2 3.03Å; T533-T539 PolarHBondContact OG1-OG1 2.66Å; T533-W574 WeakPolarHBondContact O-CA 3.19Å; T533-T575 PolarHBondContact N-O 2.76Å; T533-T575 PolarHBondContact O-N 2.95Å
534	S	98.6	Very high	96.7	Very high	4 Å²	4	21.7 Å²	21.7	3%	0.028	15%	0.146	C	C	.	.			trans	-76.8	162.6	177.4	79.5	0	0	0	0	112.5	A536 G537 T538 E568	S534-A536 PolarHBondContact O-N 2.77Å; S534-A536 VanDerWaalsContact O-N 3.16Å; S534-A536 PolarHBondContact OG-N 2.98Å; S534-G537 PolarHBondContact O-N 3.06Å; S534-T538 PolarHBondContact N-O 3.33Å; S534-T538 WeakPolarHBondContact OG-CB 3.37Å; S534-T538 PolarHBondContact OG-N 3.09Å; S534-T538 VanDerWaalsContact OG-N 3.17Å; S534-E568 WeakPolarHBondContact CB-OE2 3.43Å; S534-E568 PolarHBondContact OG-OE2 3.05Å
535	P	98.4	Very high	96.7	Very high	44 Å²	44	24.9 Å²	24.9	29%	0.286	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.6	174.2	-26.5	34.8	0	0	0	114.2	G537 A571 W574	P535-G537 VanDerWaalsContact C-N 3.27Å; P535-A571 WeakPolarHBondContact CB-O 3.14Å; P535-W574 HydrophobicContact CG-CD2 4.46Å; P535-W574 HydrophobicContact CG-CG 4.26Å
536	A	97.6	Very high	96.6	Very high	58 Å²	58	23.9 Å²	23.9	48%	0.479	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-2.8	176.1	0	0	0	0	0	113.3	S534	S534-A536 PolarHBondContact O-N 2.77Å; S534-A536 VanDerWaalsContact O-N 3.16Å; S534-A536 PolarHBondContact OG-N 2.98Å
537	G	97.6	Very high	96.5	Very high	51 Å²	51	30.5 Å²	30.5	53%	0.526	19%	0.188	S	C	.	.			trans	93.9	6.5	177.8	0	0	0	0	0	115.1	S534 P535 T539	S534-G537 PolarHBondContact O-N 3.06Å; P535-G537 VanDerWaalsContact C-N 3.27Å; G537-T539 PolarHBondContact O-N 3.1Å
538	T	98.1	Very high	96.5	Very high	11 Å²	11	36.2 Å²	36.2	7%	0.067	21%	0.209	C	C	.	.			trans	-75	109.8	177.8	-58.9	0	0	0	0	110	N436 G437 T533 S534 T565 E568	N436-T538 WeakPolarHBondContact CA-OG1 3.46Å; N436-T538 HydrophobicContact CB-CG2 3.95Å; G437-T538 PolarHBondContact N-OG1 3.22Å; G437-T538 VanDerWaalsContact N-OG1 3.12Å; T533-T538 WeakPolarHBondContact CA-O 3.3Å; S534-T538 PolarHBondContact N-O 3.33Å; S534-T538 WeakPolarHBondContact OG-CB 3.37Å; S534-T538 PolarHBondContact OG-N 3.09Å; S534-T538 VanDerWaalsContact OG-N 3.17Å; T538-T565 HydrophobicContact CG2-CG2 3.99Å; T538-E568 VanDerWaalsContact CB-OE1 3.26Å; T538-E568 WeakPolarHBondContact CB-OE1 3.33Å; T538-E568 PolarHBondContact OG1-OE1 2.81Å
539	T	97.3	Very high	96.5	Very high	53 Å²	53	36.3 Å²	36.3	33%	0.325	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.6	176	-56	0	0	0	0	112	K434 L532 T533 G537	K434-T539 PolarHBondContact NZ-O 3.08Å; L532-T539 WeakPolarHBondContact O-CA 3.3Å; T533-T539 WeakPolarHBondContact CG2-OG1 3.07Å; T533-T539 WeakPolarHBondContact OG1-CG2 3.03Å; T533-T539 PolarHBondContact OG1-OG1 2.66Å; G537-T539 PolarHBondContact O-N 3.1Å
540	T	96	Very high	96.5	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.025	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140	178.9	-67	0	0	0	0	110.9	T531 L532 L542 S562 H564	T531-T540 CarbonylContact C-O 3.49Å; T531-T540 VanDerWaalsContact CA-O 3.22Å; T531-T540 WeakPolarHBondContact CA-O 3.42Å; L532-T540 PolarHBondContact N-O 2.93Å; L532-T540 PolarHBondContact O-N 3.16Å; T540-L542 HydrophobicContact CG2-CD2 4.02Å; T540-S562 WeakPolarHBondContact CG2-OG 3.34Å; T540-H564 HydrophobicContact CG2-CB 4.47Å; T540-H564 VanDerWaalsContact OG1-CB 3.26Å; T540-H564 WeakPolarHBondContact OG1-CB 3.2Å; T540-H564 PolarHBondContact OG1-ND1 3.1Å
541	V	96.5	Very high	96.4	Very high	45 Å²	45	40 Å²	40	27%	0.273	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	111.6	168.7	-178.7	0	0	0	0	107.2	T531 L543 A544	T531-V541 HydrophobicContact CG2-CG2 4.1Å; V541-L543 WeakPolarHBondContact CG1-O 3.4Å; V541-A544 HydrophobicContact CG1-CB 4.24Å
542	L	96.9	Very high	96.2	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-28.7	176.5	-63.5	-177.9	0	0	0	111.7	D325 S355 V516 I530 L532 T540 F560	D325-L542 VanDerWaalsContact CB-O 3.25Å; D325-L542 WeakPolarHBondContact CB-O 3Å; S355-L542 WeakPolarHBondContact OG-CD2 3.18Å; V516-L542 HydrophobicContact CB-CD1 3.96Å; V516-L542 HydrophobicContact CG2-CD1 3.77Å; I530-L542 HydrophobicContact CB-CB 4.39Å; I530-L542 HydrophobicContact CG2-CB 4.19Å; I530-L542 HydrophobicContact CG2-CD1 4.22Å; I530-L542 PolarHBondContact O-N 3.46Å; L532-L542 HydrophobicContact CB-CD1 3.79Å; L532-L542 HydrophobicContact CB-CG 4.07Å; L532-L542 HydrophobicContact CD2-CD1 4.44Å; T540-L542 HydrophobicContact CG2-CD2 4.02Å; L542-F560 HydrophobicContact CB-CB 4.01Å; L542-F560 HydrophobicContact CB-CD1 4.46Å; L542-F560 HydrophobicContact CB-CG 4.35Å; L542-F560 HydrophobicContact CD1-CB 4.02Å; L542-F560 HydrophobicContact CD2-CB 4.46Å; L542-F560 HydrophobicContact CG-CB 4.39Å
543	L	96.8	Very high	96	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	123.4	174.4	-177.7	66.4	0	0	0	108.5	C326 L528 H529 I530 V541 F555 F560	C326-L543 VanDerWaalsContact SG-CD1 3.54Å; L528-L543 HydrophobicContact CB-CD2 4.17Å; H529-L543 WeakPolarHBondContact CA-O 3.46Å; I530-L543 HydrophobicContact CB-CB 3.92Å; I530-L543 HydrophobicContact CD1-CB 4.11Å; I530-L543 HydrophobicContact CD1-CD2 3.9Å; I530-L543 HydrophobicContact CG1-CB 4.01Å; I530-L543 HydrophobicContact CG1-CD2 4.22Å; I530-L543 PolarHBondContact N-O 3.42Å; I530-L543 PolarHBondContact O-N 2.87Å; V541-L543 WeakPolarHBondContact CG1-O 3.4Å; L543-F555 HydrophobicContact CD1-CZ 4.38Å; L543-F555 HydrophobicContact CD2-CE2 3.48Å; L543-F555 VanDerWaalsContact CD2-CE2 3.48Å; L543-F555 HydrophobicContact CD2-CZ 3.49Å; L543-F555 VanDerWaalsContact CD2-CZ 3.49Å; L543-F560 HydrophobicContact CB-CE1 4.03Å; L543-F560 HydrophobicContact CD1-CE1 4.41Å; L543-F560 HydrophobicContact CD2-CE1 4.27Å; L543-F560 HydrophobicContact CD2-CZ 4.36Å; L543-F560 HydrophobicContact CG-CE1 4.47Å
544	A	93.9	Very high	95.8	Very high	37 Å²	37	47.9 Å²	47.9	31%	0.306	29%	0.285	S	S	.	.			trans	-91.6	160	169.2	0	0	0	0	0	110.2	N323 V541 R546	N323-A544 PolarHBondContact ND2-N 2.82Å; N323-A544 VanDerWaalsContact ND2-N 3.16Å; V541-A544 HydrophobicContact CG1-CB 4.24Å; A544-R546 WeakPolarHBondContact O-CG 3.4Å; A544-R546 PolarHBondContact O-N 3.41Å
545	E	93.1	Very high	95.7	Very high	85 Å²	85	48 Å²	48	40%	0.397	29%	0.285	S	S	.	.			trans	-56.6	132	173.4	-174.1	-178.4	159.3	0	0	110.6	G526 T581	G526-E545 CarbonylContact O-C 3.56Å; G526-E545 WeakPolarHBondContact O-CA 3.3Å; G526-E545 WeakPolarHBondContact O-CG 3.5Å; E545-T581 PolarHBondContact OE2-OG1 2.68Å
546	R	95.2	Very high	95.6	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.008	30%	0.302	C	S	.	.			trans	-119.8	88	176.2	-57.6	-162.6	-56	157.2	1.4	109	K282 T283 G321 D322 C326 G526 A544 R548 D549	K282-R546 PolarHBondContact O-NH2 3.05Å; T283-R546 PolarHBondContact O-NH1 3.34Å; T283-R546 PolarHBondContact O-NH2 3.41Å; G321-R546 WeakPolarHBondContact O-CG 3.3Å; D322-R546 IonicContact OD1-CZ 2.79Å; D322-R546 IonicContact OD1-NH1 3.98Å; D322-R546 PolarHBondContact OD1-NH1 2.69Å; C326-R546 VanDerWaalsContact SG-CZ 3.51Å; G526-R546 VanDerWaalsContact CA-O 3.27Å; G526-R546 WeakPolarHBondContact CA-O 3.28Å; G526-R546 PolarHBondContact O-N 3.12Å; A544-R546 WeakPolarHBondContact O-CG 3.4Å; A544-R546 PolarHBondContact O-N 3.41Å; R546-R548 PolarHBondContact O-N 2.73Å; R546-D549 HydrophobicContact CB-CB 4.05Å; R546-D549 IonicContact CZ-OD2 3.15Å; R546-D549 IonicContact NE-OD2 3.95Å; R546-D549 IonicContact NH2-OD2 3.96Å; R546-D549 PolarHBondContact NH2-OD2 2.68Å; R546-D549 WeakPolarHBondContact O-CB 3.39Å; R546-D549 PolarHBondContact O-N 2.73Å
547	E	92.6	Very high	95.4	Very high	141 Å²	141	54 Å²	54	66%	0.659	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-32.1	-172.5	-172.8	-177.4	-177.4	0	0	113.1	R524	R524-E547 PolarHBondContact NH2-O 3.22Å
548	R	93.8	Very high	95.4	Very high	119 Å²	119	53.3 Å²	53.3	45%	0.449	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-22.4	-178.5	-70.6	-170.2	-179.9	-157.8	0.7	113.7	D280 K282 Q320 R546 T550	D280-R548 WeakPolarHBondContact O-CD 3.43Å; K282-R548 HydrophobicContact CD-CB 4.21Å; K282-R548 VanDerWaalsContact CD-O 3.27Å; K282-R548 WeakPolarHBondContact CD-O 3.35Å; K282-R548 VanDerWaalsContact CE-O 3.27Å; K282-R548 WeakPolarHBondContact CE-O 3.49Å; K282-R548 HydrophobicContact CG-CB 3.68Å; K282-R548 WeakPolarHBondContact CG-O 3.48Å; Q320-R548 VanDerWaalsContact O-CD 3.31Å; Q320-R548 WeakPolarHBondContact O-CD 3.48Å; R546-R548 PolarHBondContact O-N 2.73Å; R548-T550 PolarHBondContact O-N 2.67Å; R548-T550 VanDerWaalsContact O-N 3.12Å
549	D	96.2	Very high	95.3	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.011	29%	0.289	C	S	.	.			trans	-78.9	93.5	-177.9	-174.9	3.4	0	0	0	110.9	G281 K282 R525 G526 R546 S551	G281-D549 PolarHBondContact O-N 2.79Å; K282-D549 HydrophobicContact CB-CB 4.43Å; R525-D549 WeakPolarHBondContact CG-OD2 3.39Å; R525-D549 IonicContact CZ-OD2 3.68Å; R525-D549 IonicContact NE-OD1 3.98Å; R525-D549 IonicContact NE-OD2 3.07Å; R525-D549 PolarHBondContact NE-OD2 3.47Å; R525-D549 IonicContact NH2-OD1 3.84Å; R525-D549 IonicContact NH2-OD2 3.33Å; G526-D549 VanDerWaalsContact CA-O 3.29Å; G526-D549 WeakPolarHBondContact CA-O 3.47Å; G526-D549 PolarHBondContact N-O 3.16Å; R546-D549 HydrophobicContact CB-CB 4.05Å; R546-D549 IonicContact CZ-OD2 3.15Å; R546-D549 IonicContact NE-OD2 3.95Å; R546-D549 IonicContact NH2-OD2 3.96Å; R546-D549 PolarHBondContact NH2-OD2 2.68Å; R546-D549 WeakPolarHBondContact O-CB 3.39Å; R546-D549 PolarHBondContact O-N 2.73Å; D549-S551 VanDerWaalsContact C-N 3.32Å; D549-S551 WeakPolarHBondContact OD1-CB 3.41Å; D549-S551 PolarHBondContact OD1-N 3.06Å
550	T	95	Very high	95.3	Very high	101 Å²	101	52.3 Å²	52.3	62%	0.62	27%	0.274	S	S	*	.			trans	-92.5	13.1	175.8	65.1	0	0	0	0	113.1	R548	R548-T550 PolarHBondContact O-N 2.67Å; R548-T550 VanDerWaalsContact O-N 3.12Å
551	S	95.9	Very high	95.4	Very high	26 Å²	26	52.3 Å²	52.3	18%	0.182	27%	0.273	C	S	.	.			trans	-68.4	138.3	-172.9	-175.4	0	0	0	0	112.2	R525 D549 N553	R525-S551 WeakPolarHBondContact CB-O 3.21Å; R525-S551 PolarHBondContact N-O 2.8Å; D549-S551 VanDerWaalsContact C-N 3.32Å; D549-S551 WeakPolarHBondContact OD1-CB 3.41Å; D549-S551 PolarHBondContact OD1-N 3.06Å; S551-N553 WeakPolarHBondContact OG-CB 3.46Å; S551-N553 PolarHBondContact OG-N 3.27Å
552	S	94.5	Very high	95.5	Very high	86 Å²	86	50.2 Å²	50.2	60%	0.601	26%	0.261	S	S	*	.	S	Bend	trans	-93.6	3.6	171.1	61.6	0	0	0	0	113.2	Y522 G554	Y522-S552 CarbonylContact O-C 3.53Å; Y522-S552 WeakPolarHBondContact O-CA 3.28Å; S552-G554 PolarHBondContact O-N 2.02Å
553	N	93.8	Very high	95.5	Very high	131 Å²	131	50.3 Å²	50.3	70%	0.701	26%	0.261	S	S	*	.			trans	-74.3	-15.1	-176.5	-66.7	-12.6	0	0	0	112.8	S551	S551-N553 WeakPolarHBondContact OG-CB 3.46Å; S551-N553 PolarHBondContact OG-N 3.27Å
554	G	94.2	Very high	95.6	Very high	3 Å²	3	50.8 Å²	50.8	3%	0.031	26%	0.263	C	S	.	.			trans	58.5	-151	-176.7	0	0	0	0	0	112.8	I520 R525 S552	I520-G554 CarbonylContact O-C 3.52Å; I520-G554 WeakPolarHBondContact O-CA 3.48Å; R525-G554 WeakPolarHBondContact CD-O 3.48Å; R525-G554 PolarHBondContact NH1-O 2.93Å; S552-G554 PolarHBondContact O-N 2.02Å
555	F	97.1	Very high	95.8	Very high	7 Å²	7	49.2 Å²	49.2	3%	0.031	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.1	173.5	-67	-79.3	0	0	0	108.8	V284 S519 I520 R525 L528 L543 W558 F560	V284-F555 HydrophobicContact CG1-CD1 4.2Å; V284-F555 HydrophobicContact CG1-CE1 3.97Å; V284-F555 HydrophobicContact CG2-CE1 3.84Å; V284-F555 HydrophobicContact CG2-CZ 4.41Å; S519-F555 CarbonylContact C-O 3.56Å; S519-F555 VanDerWaalsContact CA-O 3.29Å; S519-F555 WeakPolarHBondContact CA-O 3.32Å; I520-F555 HydrophobicContact CB-CB 4.43Å; I520-F555 PolarHBondContact N-O 3.16Å; I520-F555 PolarHBondContact O-N 3.07Å; R525-F555 HydrophobicContact CG-CD2 4.02Å; R525-F555 HydrophobicContact CG-CE2 3.38Å; R525-F555 HydrophobicContact CG-CZ 3.68Å; L528-F555 HydrophobicContact CD1-CD2 4.3Å; L528-F555 HydrophobicContact CD1-CE2 4.18Å; L543-F555 HydrophobicContact CD1-CZ 4.38Å; L543-F555 HydrophobicContact CD2-CE2 3.48Å; L543-F555 VanDerWaalsContact CD2-CE2 3.48Å; L543-F555 HydrophobicContact CD2-CZ 3.49Å; L543-F555 VanDerWaalsContact CD2-CZ 3.49Å; F555-W558 HydrophobicContact CB-CB 3.9Å; F555-W558 HydrophobicContact CD1-CB 3.77Å; F555-W558 AromaticContact CD1-CD1 3.88Å; F555-W558 HydrophobicContact CD1-CD2 4.32Å; F555-W558 AromaticContact CD1-CG 3.67Å; F555-W558 HydrophobicContact CD1-CG 3.67Å; F555-W558 HydrophobicContact CE1-CG 4.29Å; F555-W558 HydrophobicContact CG-CB 4.25Å; F555-F560 HydrophobicContact CD1-CE1 4.41Å; F555-F560 HydrophobicContact CD1-CE2 4.44Å; F555-F560 AromaticContact CD1-CZ 3.7Å; F555-F560 HydrophobicContact CD1-CZ 3.7Å; F555-F560 AromaticContact CD2-CZ 3.95Å; F555-F560 HydrophobicContact CD2-CZ 3.95Å; F555-F560 AromaticContact CE1-CE1 3.98Å; F555-F560 HydrophobicContact CE1-CE1 3.98Å; F555-F560 AromaticContact CE1-CZ 3.64Å; F555-F560 HydrophobicContact CE1-CZ 3.64Å; F555-F560 AromaticContact CE2-CZ 3.9Å; F555-F560 HydrophobicContact CE2-CZ 3.9Å; F555-F560 HydrophobicContact CG-CE2 4.37Å; F555-F560 AromaticContact CG-CZ 3.85Å; F555-F560 HydrophobicContact CG-CZ 3.85Å; F555-F560 HydrophobicContact CZ-CE1 4.1Å; F555-F560 AromaticContact CZ-CZ 3.75Å; F555-F560 HydrophobicContact CZ-CZ 3.75Å
556	K	94.9	Very high	96.1	Very high	146 Å²	146	45.2 Å²	45.2	64%	0.635	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	108.4	-179.4	-178.8	-177.6	179.3	-177.1	0	108.8	W558	K556-W558 PolarHBondContact O-N 2.76Å
557	N	94.6	Very high	96.2	Very high	81 Å²	81	45.4 Å²	45.4	43%	0.433	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	44.8	44.1	-172.5	-54.7	-28.9	0	0	0	111.4	E517 A518 S519	E517-N557 HydrophobicContact CG-CB 4.13Å; A518-N557 PolarHBondContact O-N 2.93Å; S519-N557 PolarHBondContact OG-N 2.79Å; S519-N557 PolarHBondContact OG-OD1 2.8Å
558	W	97.2	Very high	96.5	Very high	37 Å²	37	38.9 Å²	38.9	14%	0.14	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.6	179.8	-173.5	-96.2	0	0	0	108.4	V284 E285 D325 C326 E517 A518 F555 K556 F560	V284-W558 HydrophobicContact CG1-CD2 3.73Å; V284-W558 HydrophobicContact CG1-CE3 3.57Å; V284-W558 HydrophobicContact CG1-CH2 3.66Å; V284-W558 HydrophobicContact CG1-CZ2 3.83Å; V284-W558 HydrophobicContact CG1-CZ3 3.53Å; E285-W558 WeakPolarHBondContact O-CH2 3.23Å; D325-W558 WeakPolarHBondContact O-CZ2 3.26Å; D325-W558 PolarHBondContact O-NE1 3.15Å; C326-W558 WeakPolarHBondContact O-CZ2 3.12Å; E517-W558 CarbonylContact C-O 3.58Å; E517-W558 VanDerWaalsContact CA-O 3.25Å; E517-W558 WeakPolarHBondContact CA-O 3.46Å; A518-W558 PolarHBondContact N-O 3.3Å; A518-W558 PolarHBondContact O-N 3.15Å; A518-W558 VanDerWaalsContact O-N 3.11Å; F555-W558 HydrophobicContact CB-CB 3.9Å; F555-W558 HydrophobicContact CD1-CB 3.77Å; F555-W558 AromaticContact CD1-CD1 3.88Å; F555-W558 HydrophobicContact CD1-CD2 4.32Å; F555-W558 AromaticContact CD1-CG 3.67Å; F555-W558 HydrophobicContact CD1-CG 3.67Å; F555-W558 HydrophobicContact CE1-CG 4.29Å; F555-W558 HydrophobicContact CG-CB 4.25Å; K556-W558 PolarHBondContact O-N 2.76Å; W558-F560 HydrophobicContact CB-CE2 4.48Å; W558-F560 AromaticContact CD1-CD1 3.66Å; W558-F560 AromaticContact CD1-CD2 3.84Å; W558-F560 AromaticContact CD1-CE1 3.48Å; W558-F560 VanDerWaalsContact CD1-CE1 3.48Å; W558-F560 AromaticContact CD1-CE2 3.67Å; W558-F560 AromaticContact CD1-CG 3.83Å; W558-F560 AromaticContact CD1-CZ 3.49Å; W558-F560 VanDerWaalsContact CD1-CZ 3.49Å; W558-F560 HydrophobicContact CG-CE2 4.45Å; W558-F560 HydrophobicContact CG-CZ 4.37Å; W558-F560 AromaticContact NE1-CD1 3.82Å; W558-F560 AromaticContact NE1-CE1 3.76Å
559	D	95.5	Very high	96.7	Very high	42 Å²	42	37.8 Å²	37.8	23%	0.225	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	119	171.7	-67.3	-45.4	0	0	0	107.8	E517	E517-D559 WeakPolarHBondContact CB-OD1 2.92Å; E517-D559 VanDerWaalsContact CG-OD1 3.29Å; E517-D559 WeakPolarHBondContact CG-OD1 3.48Å
560	F	97.6	Very high	96.7	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.2	164.4	-63	-84.4	0	0	0	108.4	D325 Q515 V516 I530 L542 L543 F555 W558	D325-F560 HydrophobicContact CB-CD1 4.32Å; Q515-F560 CarbonylContact C-O 3.52Å; Q515-F560 VanDerWaalsContact CA-O 3.26Å; Q515-F560 WeakPolarHBondContact CA-O 3.5Å; V516-F560 PolarHBondContact N-O 2.81Å; V516-F560 PolarHBondContact O-N 3.34Å; I530-F560 HydrophobicContact CD1-CE1 4.36Å; I530-F560 HydrophobicContact CD1-CE2 3.78Å; I530-F560 HydrophobicContact CD1-CZ 3.67Å; L542-F560 HydrophobicContact CB-CB 4.01Å; L542-F560 HydrophobicContact CB-CD1 4.46Å; L542-F560 HydrophobicContact CB-CG 4.35Å; L542-F560 HydrophobicContact CD1-CB 4.02Å; L542-F560 HydrophobicContact CD2-CB 4.46Å; L542-F560 HydrophobicContact CG-CB 4.39Å; L543-F560 HydrophobicContact CB-CE1 4.03Å; L543-F560 HydrophobicContact CD1-CE1 4.41Å; L543-F560 HydrophobicContact CD2-CE1 4.27Å; L543-F560 HydrophobicContact CD2-CZ 4.36Å; L543-F560 HydrophobicContact CG-CE1 4.47Å; F555-F560 HydrophobicContact CD1-CE1 4.41Å; F555-F560 HydrophobicContact CD1-CE2 4.44Å; F555-F560 AromaticContact CD1-CZ 3.7Å; F555-F560 HydrophobicContact CD1-CZ 3.7Å; F555-F560 AromaticContact CD2-CZ 3.95Å; F555-F560 HydrophobicContact CD2-CZ 3.95Å; F555-F560 AromaticContact CE1-CE1 3.98Å; F555-F560 HydrophobicContact CE1-CE1 3.98Å; F555-F560 AromaticContact CE1-CZ 3.64Å; F555-F560 HydrophobicContact CE1-CZ 3.64Å; F555-F560 AromaticContact CE2-CZ 3.9Å; F555-F560 HydrophobicContact CE2-CZ 3.9Å; F555-F560 HydrophobicContact CG-CE2 4.37Å; F555-F560 AromaticContact CG-CZ 3.85Å; F555-F560 HydrophobicContact CG-CZ 3.85Å; F555-F560 HydrophobicContact CZ-CE1 4.1Å; F555-F560 AromaticContact CZ-CZ 3.75Å; F555-F560 HydrophobicContact CZ-CZ 3.75Å; W558-F560 HydrophobicContact CB-CE2 4.48Å; W558-F560 AromaticContact CD1-CD1 3.66Å; W558-F560 AromaticContact CD1-CD2 3.84Å; W558-F560 AromaticContact CD1-CE1 3.48Å; W558-F560 VanDerWaalsContact CD1-CE1 3.48Å; W558-F560 AromaticContact CD1-CE2 3.67Å; W558-F560 AromaticContact CD1-CG 3.83Å; W558-F560 AromaticContact CD1-CZ 3.49Å; W558-F560 VanDerWaalsContact CD1-CZ 3.49Å; W558-F560 HydrophobicContact CG-CE2 4.45Å; W558-F560 HydrophobicContact CG-CZ 4.37Å; W558-F560 AromaticContact NE1-CD1 3.82Å; W558-F560 AromaticContact NE1-CE1 3.76Å
561	M	97.9	Very high	96.9	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	143.9	-174.9	-170.3	-86.3	-74	0	0	112.3	D331 I333 S355 S356 V514 Q515 V563	D331-M561 VanDerWaalsContact CG-CB 3.45Å; D331-M561 WeakPolarHBondContact O-CB 3.26Å; D331-M561 VanDerWaalsContact O-CE 3.26Å; D331-M561 WeakPolarHBondContact O-CE 3.38Å; D331-M561 WeakPolarHBondContact O-CG 3.43Å; D331-M561 WeakPolarHBondContact OD1-CA 3.04Å; D331-M561 VanDerWaalsContact OD1-CB 3.27Å; D331-M561 WeakPolarHBondContact OD1-CB 3.4Å; D331-M561 PolarHBondContact OD1-N 3.06Å; D331-M561 VanDerWaalsContact OD2-CB 3.27Å; D331-M561 WeakPolarHBondContact OD2-CB 3.44Å; D331-M561 PolarHBondContact OD2-N 3.05Å; I333-M561 HydrophobicContact CG2-CG 3.85Å; S355-M561 CarbonylContact C-O 3.35Å; S355-M561 PolarHBondContact OG-O 2.94Å; S356-M561 PolarHBondContact N-O 2.65Å; V514-M561 CarbonylContact O-C 3.52Å; V514-M561 WeakPolarHBondContact O-CA 3.26Å; Q515-M561 HydrophobicContact CG-CB 4.06Å; Q515-M561 HydrophobicContact CG-CG 3.9Å; M561-V563 HydrophobicContact CE-CG1 4.34Å; M561-V563 HydrophobicContact SD-CG1 3.71Å
562	S	98.2	Very high	96.9	Very high	2 Å²	2	35 Å²	35	1%	0.014	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.1	169.7	-174.3	0	0	0	0	113.3	S355 V514 T540 H564	S355-S562 VanDerWaalsContact O-CA 3.3Å; S355-S562 WeakPolarHBondContact O-CA 3.25Å; S355-S562 PolarHBondContact O-OG 3.12Å; S355-S562 WeakPolarHBondContact OG-CB 3.41Å; V514-S562 PolarHBondContact N-O 3.42Å; V514-S562 PolarHBondContact O-N 2.73Å; T540-S562 WeakPolarHBondContact CG2-OG 3.34Å; S562-H564 WeakPolarHBondContact OG-CB 3.49Å; S562-H564 PolarHBondContact OG-N 3.24Å
563	V	98.6	Very high	97.1	Very high	2 Å²	2	34 Å²	34	1%	0.012	19%	0.189	C	C	.	.			trans	-101.7	-1.9	168.4	-61.3	0	0	0	0	113	S355 T357 L358 F448 M561 T565 W566	S355-V563 WeakPolarHBondContact O-CG2 3.27Å; S355-V563 PolarHBondContact O-N 3.13Å; T357-V563 WeakPolarHBondContact O-CG2 3.35Å; L358-V563 HydrophobicContact CD1-CB 4.02Å; L358-V563 HydrophobicContact CD1-CG1 3.92Å; L358-V563 HydrophobicContact CD1-CG2 4.03Å; F448-V563 HydrophobicContact CE2-CB 4.17Å; F448-V563 HydrophobicContact CE2-CG2 3.98Å; F448-V563 VanDerWaalsContact CZ-O 3.23Å; F448-V563 WeakPolarHBondContact CZ-O 3.44Å; M561-V563 HydrophobicContact CE-CG1 4.34Å; M561-V563 HydrophobicContact SD-CG1 3.71Å; V563-T565 PolarHBondContact O-N 3.5Å; V563-T565 VanDerWaalsContact O-N 3.11Å; V563-W566 HydrophobicContact CB-CE3 4Å; V563-W566 HydrophobicContact CB-CZ3 4.45Å; V563-W566 HydrophobicContact CG1-CE3 4.12Å; V563-W566 HydrophobicContact CG1-CZ3 4.07Å; V563-W566 WeakPolarHBondContact O-CB 3.38Å; V563-W566 PolarHBondContact O-N 2.82Å; V563-W566 VanDerWaalsContact O-N 3.11Å
564	H	98.5	Very high	97.4	Very high	13 Å²	13	27.9 Å²	27.9	6%	0.06	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.6	-172.2	-70.3	-168.3	0	0	0	114.8	S355 N436 V442 T540 S562	S355-H564 PolarHBondContact O-CD2 3.34Å; N436-H564 VanDerWaalsContact CB-O 3.25Å; N436-H564 WeakPolarHBondContact CB-O 3.22Å; N436-H564 PolarHBondContact ND2-O 2.95Å; V442-H564 HydrophobicContact CG1-CB 4.15Å; V442-H564 HydrophobicContact CG2-CB 4.07Å; V442-H564 WeakPolarHBondContact CG2-CD2 3.29Å; T540-H564 HydrophobicContact CG2-CB 4.47Å; T540-H564 VanDerWaalsContact OG1-CB 3.26Å; T540-H564 WeakPolarHBondContact OG1-CB 3.2Å; T540-H564 PolarHBondContact OG1-ND1 3.1Å; S562-H564 WeakPolarHBondContact OG-CB 3.49Å; S562-H564 PolarHBondContact OG-N 3.24Å
565	T	98.5	Very high	97.6	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.025	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	13.3	-179.4	54.7	0	0	0	0	112.4	V514 T538 V563 G567 E568 W574	V514-T565 WeakPolarHBondContact CG2-OG1 3.4Å; T538-T565 HydrophobicContact CG2-CG2 3.99Å; V563-T565 PolarHBondContact O-N 3.5Å; V563-T565 VanDerWaalsContact O-N 3.11Å; T565-G567 PolarHBondContact O-N 3.13Å; T565-E568 VanDerWaalsContact O-CB 3.28Å; T565-E568 WeakPolarHBondContact O-CB 3.26Å; T565-E568 WeakPolarHBondContact O-CG 3.42Å; T565-E568 PolarHBondContact O-N 3.21Å; T565-W574 HydrophobicContact CG2-CH2 4.08Å; T565-W574 HydrophobicContact CG2-CZ3 4.27Å
566	W	98.6	Very high	97.6	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	129.8	178.6	-156.4	-67.8	0	0	0	111.4	L358 Q415 H416 V419 N436 A438 F448 E512 H513 V563 E568	L358-W566 HydrophobicContact CD1-CE3 4.31Å; L358-W566 HydrophobicContact CD1-CZ3 4.04Å; Q415-W566 HydrophobicContact CB-CH2 3.82Å; Q415-W566 HydrophobicContact CB-CZ2 4.34Å; H416-W566 AromaticContact CD2-CZ2 3.59Å; H416-W566 AromaticContact CE1-CE2 3.86Å; H416-W566 AromaticContact CE1-CZ2 3.91Å; H416-W566 AromaticContact CE1-NE1 3.24Å; H416-W566 PolarHBondContact CE1-NE1 2.93Å; H416-W566 AromaticContact CG-CZ2 3.86Å; H416-W566 AromaticContact CG-NE1 3.93Å; H416-W566 AromaticContact ND1-CE2 3.98Å; H416-W566 AromaticContact ND1-NE1 3.28Å; H416-W566 PolarHBondContact ND1-NE1 2.82Å; H416-W566 AromaticContact NE2-CZ2 3.65Å; H416-W566 AromaticContact NE2-NE1 3.87Å; V419-W566 HydrophobicContact CG1-CB 4.38Å; V419-W566 HydrophobicContact CG1-CD2 4.44Å; V419-W566 HydrophobicContact CG1-CG 4.03Å; V419-W566 HydrophobicContact CG2-CD2 3.88Å; V419-W566 HydrophobicContact CG2-CE3 4.05Å; V419-W566 HydrophobicContact CG2-CG 4.3Å; V419-W566 HydrophobicContact CG2-CZ2 4.39Å; V419-W566 HydrophobicContact CG2-CZ3 4.39Å; N436-W566 PolarHBondContact ND2-O 3.37Å; N436-W566 VanDerWaalsContact ND2-O 3.09Å; A438-W566 WeakPolarHBondContact CB-O 3.28Å; F448-W566 HydrophobicContact CE1-CB 4.47Å; F448-W566 HydrophobicContact CE2-CB 4.32Å; F448-W566 HydrophobicContact CZ-CB 3.62Å; F448-W566 HydrophobicContact CZ-CG 4.44Å; E512-W566 HydrophobicContact CB-CD2 4.4Å; E512-W566 HydrophobicContact CB-CE3 4.45Å; E512-W566 HydrophobicContact CB-CH2 3.94Å; E512-W566 HydrophobicContact CB-CZ2 3.89Å; E512-W566 HydrophobicContact CB-CZ3 4.23Å; E512-W566 HydrophobicContact CG-CH2 4.33Å; E512-W566 HydrophobicContact CG-CZ2 3.83Å; H513-W566 AromaticContact CE1-CH2 3.68Å; H513-W566 AromaticContact CE1-CZ3 3.76Å; H513-W566 AromaticContact NE2-CH2 3.9Å; H513-W566 AromaticContact NE2-CZ3 3.62Å; V563-W566 HydrophobicContact CB-CE3 4Å; V563-W566 HydrophobicContact CB-CZ3 4.45Å; V563-W566 HydrophobicContact CG1-CE3 4.12Å; V563-W566 HydrophobicContact CG1-CZ3 4.07Å; V563-W566 WeakPolarHBondContact O-CB 3.38Å; V563-W566 PolarHBondContact O-N 2.82Å; V563-W566 VanDerWaalsContact O-N 3.11Å; W566-E568 VanDerWaalsContact C-N 3.33Å; W566-E568 PolarHBondContact O-N 2.87Å
567	G	97.8	Very high	97.8	Very high	5 Å²	5	25.8 Å²	25.8	5%	0.052	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-12.6	-179.4	0	0	0	0	0	116	S510 L511 T565	S510-G567 PolarHBondContact OG-O 3.46Å; L511-G567 PolarHBondContact O-N 2.75Å; T565-G567 PolarHBondContact O-N 3.13Å
568	E	98.3	Very high	97.9	Very high	4 Å²	4	22 Å²	22	2%	0.019	13%	0.13	C	C	.	.			trans	-70.3	155	-179.6	-67.8	-178.4	-162.1	0	0	112	N436 G437 A438 S510 L511 S534 T538 T565 W566 P570	N436-E568 WeakPolarHBondContact CB-OE1 3.34Å; G437-E568 PolarHBondContact N-OE1 2.84Å; A438-E568 HydrophobicContact CB-CG 4.24Å; S510-E568 WeakPolarHBondContact CA-O 3.46Å; L511-E568 HydrophobicContact CD1-CB 4.41Å; L511-E568 PolarHBondContact N-O 3.35Å; S534-E568 WeakPolarHBondContact CB-OE2 3.43Å; S534-E568 PolarHBondContact OG-OE2 3.05Å; T538-E568 VanDerWaalsContact CB-OE1 3.26Å; T538-E568 WeakPolarHBondContact CB-OE1 3.33Å; T538-E568 PolarHBondContact OG1-OE1 2.81Å; T565-E568 VanDerWaalsContact O-CB 3.28Å; T565-E568 WeakPolarHBondContact O-CB 3.26Å; T565-E568 WeakPolarHBondContact O-CG 3.42Å; T565-E568 PolarHBondContact O-N 3.21Å; W566-E568 VanDerWaalsContact C-N 3.33Å; W566-E568 PolarHBondContact O-N 2.87Å; E568-P570 WeakPolarHBondContact O-CD 3.4Å
569	N	97.4	Very high	97.8	Very high	96 Å²	96	21 Å²	21	51%	0.513	13%	0.127	S	C	.	.			trans	-81.9	118.2	165	-178.1	-16.2	0	0	0	108.4	A571	N569-A571 VanDerWaalsContact C-N 3.3Å; N569-A571 PolarHBondContact O-N 3.49Å; N569-A571 WeakPolarHBondContact OD1-CB 3.43Å; N569-A571 PolarHBondContact OD1-N 3.37Å
570	P	97.5	Very high	97.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.119	C	C	.	.			trans	-79.8	-3.3	-175.6	28.5	-31	0	0	0	115.1	A500 I508 L511 E568 W574 L598	A500-P570 HydrophobicContact CB-CB 4.09Å; A500-P570 HydrophobicContact CB-CG 3.56Å; I508-P570 HydrophobicContact CB-CG 4.17Å; I508-P570 HydrophobicContact CG2-CG 3.81Å; L511-P570 HydrophobicContact CD1-CB 3.81Å; L511-P570 HydrophobicContact CD1-CG 4.43Å; L511-P570 HydrophobicContact CD2-CB 3.92Å; L511-P570 HydrophobicContact CD2-CG 3.96Å; L511-P570 HydrophobicContact CG-CB 3.78Å; L511-P570 HydrophobicContact CG-CG 3.87Å; E568-P570 WeakPolarHBondContact O-CD 3.4Å; P570-W574 HydrophobicContact CB-CZ2 3.94Å; P570-W574 PolarHBondContact O-NE1 3.08Å; P570-L598 HydrophobicContact CB-CD1 3.85Å; P570-L598 HydrophobicContact CB-CD2 4.31Å; P570-L598 HydrophobicContact CG-CD1 4.3Å
571	A	97.7	Very high	96.7	Very high	39 Å²	39	22.4 Å²	22.4	32%	0.322	14%	0.137	S	C	.	.			trans	-71.2	134.7	178.9	0	0	0	0	0	111.7	P535 N569	P535-A571 WeakPolarHBondContact CB-O 3.14Å; N569-A571 VanDerWaalsContact C-N 3.3Å; N569-A571 PolarHBondContact O-N 3.49Å; N569-A571 WeakPolarHBondContact OD1-CB 3.43Å; N569-A571 PolarHBondContact OD1-N 3.37Å
572	G	97.8	Very high	95.7	Very high	32 Å²	32	22.8 Å²	22.8	33%	0.33	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	129.9	-155.3	-177.3	0	0	0	0	0	111.6	T498	T498-G572 PolarHBondContact N-O 3.26Å; T498-G572 PolarHBondContact O-N 3.3Å
573	T	98.3	Very high	94.6	Very high	66 Å²	66	26.2 Å²	26.2	41%	0.405	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.2	-178.6	-55.5	0	0	0	0	110.3	E495	E495-T573 HydrophobicContact CB-CG2 4.03Å; E495-T573 HydrophobicContact CG-CG2 4.48Å
574	W	98.6	Very high	93.8	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	149.4	167	-67.6	73.4	0	0	0	110	I496 L511 V514 L532 T533 P535 T565 P570 L596 L598	I496-W574 HydrophobicContact CB-CB 4.1Å; I496-W574 PolarHBondContact N-O 3.13Å; I496-W574 PolarHBondContact O-N 2.67Å; L511-W574 HydrophobicContact CD1-CH2 3.78Å; L511-W574 HydrophobicContact CD1-CZ2 3.76Å; V514-W574 HydrophobicContact CG1-CH2 4.41Å; V514-W574 HydrophobicContact CG1-CZ3 4.31Å; V514-W574 HydrophobicContact CG2-CH2 3.97Å; L532-W574 HydrophobicContact CD1-CE3 3.86Å; L532-W574 HydrophobicContact CD2-CE3 3.8Å; L532-W574 HydrophobicContact CD2-CZ3 3.7Å; L532-W574 HydrophobicContact CG-CE3 3.73Å; L532-W574 HydrophobicContact CG-CZ3 3.99Å; T533-W574 WeakPolarHBondContact O-CA 3.19Å; P535-W574 HydrophobicContact CG-CD2 4.46Å; P535-W574 HydrophobicContact CG-CG 4.26Å; T565-W574 HydrophobicContact CG2-CH2 4.08Å; T565-W574 HydrophobicContact CG2-CZ3 4.27Å; P570-W574 HydrophobicContact CB-CZ2 3.94Å; P570-W574 PolarHBondContact O-NE1 3.08Å; W574-L596 HydrophobicContact CB-CD2 4.13Å; W574-L596 HydrophobicContact CD2-CD2 3.96Å; W574-L596 HydrophobicContact CG-CD2 3.7Å; W574-L598 HydrophobicContact CZ2-CD2 4.1Å
575	T	98.5	Very high	93.2	Very high	42 Å²	42	37.3 Å²	37.3	26%	0.258	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	111.7	177	-55.9	0	0	0	0	109.8	T493 L532 T533	T493-T575 HydrophobicContact CG2-CG2 3.59Å; L532-T575 WeakPolarHBondContact CA-O 3.47Å; T533-T575 PolarHBondContact N-O 2.76Å; T533-T575 PolarHBondContact O-N 2.95Å
576	L	98.3	Very high	92.6	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.5	171.1	174.8	64.3	0	0	0	108.8	I494 I496 V516 I530 L532 I578 W594	I494-L576 HydrophobicContact CB-CB 4.33Å; I494-L576 HydrophobicContact CD1-CD2 4.3Å; I494-L576 PolarHBondContact N-O 3.38Å; I494-L576 PolarHBondContact O-N 3.49Å; I496-L576 HydrophobicContact CD1-CB 4.12Å; V516-L576 HydrophobicContact CG1-CD1 4.16Å; V516-L576 HydrophobicContact CG1-CD2 3.9Å; I530-L576 HydrophobicContact CG2-CD1 3.74Å; L532-L576 HydrophobicContact CD1-CB 4.34Å; L576-I578 HydrophobicContact CD2-CD1 4.49Å; L576-I578 HydrophobicContact CG-CG1 4.41Å; L576-W594 HydrophobicContact CD2-CB 4.46Å
577	K	97.9	Very high	92.2	Very high	69 Å²	69	43.6 Å²	43.6	30%	0.3	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.9	-179.1	168	169.5	169.4	152.9	0	110.3	E491 I492 I530 T531 T579	E491-K577 HydrophobicContact CG-CD 4.37Å; E491-K577 HydrophobicContact CG-CG 4.22Å; E491-K577 WeakPolarHBondContact OE1-CE 3.23Å; E491-K577 IonicContact OE1-NZ 3.45Å; E491-K577 PolarHBondContact OE1-NZ 3.41Å; E491-K577 WeakPolarHBondContact OE2-CE 3.47Å; E491-K577 IonicContact OE2-NZ 3.75Å; E491-K577 PolarHBondContact OE2-NZ 3.21Å; I492-K577 WeakPolarHBondContact O-CA 3.38Å; I530-K577 WeakPolarHBondContact CA-O 3.29Å; T531-K577 PolarHBondContact N-O 3.29Å; T531-K577 PolarHBondContact O-N 3.08Å; T531-K577 WeakPolarHBondContact OG1-CB 3.33Å; T531-K577 PolarHBondContact OG1-O 3.43Å; K577-T579 HydrophobicContact CD-CG2 4.32Å; K577-T579 VanDerWaalsContact CE-CG2 3.47Å; K577-T579 HydrophobicContact CG-CG2 3.85Å
578	I	97	Very high	92	Very high	2 Å²	2	50 Å²	50	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118	-179.9	-55.6	168.1	0	0	0	107.1	L486 I492 I520 L528 I530 L576 I591	L486-I578 HydrophobicContact CD2-CG2 3.85Å; I492-I578 PolarHBondContact N-O 2.87Å; I492-I578 PolarHBondContact O-N 3.34Å; I520-I578 HydrophobicContact CD1-CD1 3.96Å; L528-I578 HydrophobicContact CD2-CG2 4.21Å; I530-I578 HydrophobicContact CG1-CG1 4.39Å; I530-I578 HydrophobicContact CG1-CG2 4.36Å; I530-I578 HydrophobicContact CG2-CG1 4.34Å; L576-I578 HydrophobicContact CD2-CD1 4.49Å; L576-I578 HydrophobicContact CG-CG1 4.41Å; I578-I591 HydrophobicContact CD1-CB 4.35Å; I578-I591 HydrophobicContact CD1-CD1 3.43Å; I578-I591 VanDerWaalsContact CD1-CD1 3.43Å; I578-I591 HydrophobicContact CD1-CG1 4.46Å
579	T	95	Very high	91.7	Very high	15 Å²	15	50.3 Å²	50.3	9%	0.092	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.7	-176.1	52.2	0	0	0	0	110.3	G490 E491 H529 K577	G490-T579 WeakPolarHBondContact O-CA 3.32Å; E491-T579 HydrophobicContact CB-CG2 3.97Å; E491-T579 HydrophobicContact CG-CG2 3.72Å; H529-T579 PolarHBondContact N-O 2.03Å; H529-T579 PolarHBondContact O-N 3.48Å; H529-T579 PolarHBondContact O-OG1 3.16Å; K577-T579 HydrophobicContact CD-CG2 4.32Å; K577-T579 VanDerWaalsContact CE-CG2 3.47Å; K577-T579 HydrophobicContact CG-CG2 3.85Å
580	D	91.4	Very high	91.6	Very high	8 Å²	8	50.1 Å²	50.1	4%	0.043	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	112.6	160.1	178.7	2.8	0	0	0	108.2	A488 A489 G490 Y522 S582	A488-D580 VanDerWaalsContact CA-OD2 3.25Å; A488-D580 WeakPolarHBondContact CA-OD2 3.35Å; A489-D580 PolarHBondContact N-OD2 2.84Å; G490-D580 PolarHBondContact O-N 3.23Å; G490-D580 VanDerWaalsContact O-N 3.13Å; Y522-D580 VanDerWaalsContact OH-CB 3.25Å; Y522-D580 WeakPolarHBondContact OH-CB 3.49Å; Y522-D580 VanDerWaalsContact OH-CG 3.25Å; Y522-D580 PolarHBondContact OH-OD2 2.92Å; D580-S582 VanDerWaalsContact C-N 3.31Å; D580-S582 WeakPolarHBondContact OD1-CA 3.49Å; D580-S582 WeakPolarHBondContact OD1-CB 3.4Å; D580-S582 PolarHBondContact OD1-N 2.97Å; D580-S582 PolarHBondContact OD1-OG 2.77Å; D580-S582 PolarHBondContact OD2-OG 3.13Å
581	T	79.3	Confident	91.6	Very high	65 Å²	65	50.2 Å²	50.2	40%	0.399	28%	0.277	S	S	.	.			trans	-86.1	-7.3	178.3	52.2	0	0	0	0	112.7	D527 H529 E545	D527-T581 PolarHBondContact O-N 3Å; D527-T581 VanDerWaalsContact O-N 3.16Å; H529-T581 HydrophobicContact CB-CG2 3.54Å; E545-T581 PolarHBondContact OE2-OG1 2.68Å
582	S	77.4	Confident	91.5	Very high	11 Å²	11	50.9 Å²	50.9	8%	0.077	28%	0.275	C	S	.	.	S	Bend	trans	-79.6	149.6	-180	81.3	0	0	0	0	111.9	D580 R584 N587	D580-S582 VanDerWaalsContact C-N 3.31Å; D580-S582 WeakPolarHBondContact OD1-CA 3.49Å; D580-S582 WeakPolarHBondContact OD1-CB 3.4Å; D580-S582 PolarHBondContact OD1-N 2.97Å; D580-S582 PolarHBondContact OD1-OG 2.77Å; D580-S582 PolarHBondContact OD2-OG 3.13Å; S582-R584 PolarHBondContact O-N 2.91Å; S582-R584 PolarHBondContact OG-N 2.83Å; S582-N587 PolarHBondContact OG-ND2 2.82Å; S582-N587 VanDerWaalsContact OG-ND2 3.08Å
583	G	73.4	Confident	91.4	Very high	73 Å²	73	52.5 Å²	52.5	75%	0.753	28%	0.277	S	S	*	.			trans	-80.5	14.7	169.1	0	0	0	0	0	113.8	M585	G583-M585 PolarHBondContact O-N 2.77Å
584	R	83.4	Confident	91.4	Very high	105 Å²	105	50.3 Å²	50.3	40%	0.396	26%	0.261	S	S	.	.			trans	-89.9	96.9	-169.5	-69.2	-173.4	-171.2	-144	9.3	111.1	A488 S582 E586 N587	A488-R584 WeakPolarHBondContact CB-O 3.25Å; S582-R584 PolarHBondContact O-N 2.91Å; S582-R584 PolarHBondContact OG-N 2.83Å; R584-E586 VanDerWaalsContact C-OE2 3.31Å; R584-E586 PolarHBondContact O-N 2.81Å; R584-N587 WeakPolarHBondContact O-CB 3.33Å; R584-N587 PolarHBondContact O-N 3.26Å
585	M	84.3	Confident	91.3	Very high	144 Å²	144	52.7 Å²	52.7	71%	0.709	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.4	-174.2	-60.9	-55.4	-58.9	0	0	114.6	A488 G583 N587	A488-M585 VanDerWaalsContact CB-CA 3.5Å; G583-M585 PolarHBondContact O-N 2.77Å; M585-N587 VanDerWaalsContact C-N 3.32Å
586	E	86.3	Confident	91.3	Very high	128 Å²	128	50.8 Å²	50.8	60%	0.598	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-16.8	174.7	66.7	-87.9	-155.7	0	0	114	R584	R584-E586 VanDerWaalsContact C-OE2 3.31Å; R584-E586 PolarHBondContact O-N 2.81Å
587	N	90.6	Very high	91.3	Very high	8 Å²	8	51 Å²	51	4%	0.043	26%	0.261	C	S	.	.			trans	-69.3	139.3	-175.9	-80.8	-21.1	0	0	0	112.6	A488 Y522 T523 D527 S582 R584 M585	A488-N587 HydrophobicContact CB-CB 4.11Å; A488-N587 WeakPolarHBondContact CB-O 3.43Å; A488-N587 PolarHBondContact N-O 2.9Å; Y522-N587 HydrophobicContact CE1-CB 3.91Å; Y522-N587 WeakPolarHBondContact OH-CB 3.46Å; T523-N587 VanDerWaalsContact OG1-CA 3.3Å; T523-N587 WeakPolarHBondContact OG1-CA 3.25Å; T523-N587 PolarHBondContact OG1-OD1 3.48Å; T523-N587 VanDerWaalsContact OG1-OD1 3.08Å; D527-N587 PolarHBondContact OD2-ND2 2.81Å; S582-N587 PolarHBondContact OG-ND2 2.82Å; S582-N587 VanDerWaalsContact OG-ND2 3.08Å; R584-N587 WeakPolarHBondContact O-CB 3.33Å; R584-N587 PolarHBondContact O-N 3.26Å; M585-N587 VanDerWaalsContact C-N 3.32Å
588	K	92.9	Very high	91.4	Very high	140 Å²	140	47.8 Å²	47.8	61%	0.609	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-156.3	155.4	176.1	61.1	-179	-179.9	-179.3	0	110.7	L486 T523	L486-K588 CarbonylContact O-C 3.58Å; L486-K588 WeakPolarHBondContact O-CA 3.31Å; T523-K588 HydrophobicContact CG2-CG 3.71Å; T523-K588 WeakPolarHBondContact CG2-O 3.22Å; T523-K588 PolarHBondContact N-O 2.82Å; T523-K588 PolarHBondContact OG1-N 3Å; T523-K588 VanDerWaalsContact OG1-N 3.07Å; T523-K588 PolarHBondContact OG1-O 2.91Å
589	G	93.6	Very high	91.4	Very high	11 Å²	11	47.8 Å²	47.8	11%	0.113	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.7	-157.4	170.9	0	0	0	0	0	110.8	L486 E521	L486-G589 PolarHBondContact N-O 2.94Å; L486-G589 PolarHBondContact O-N 3.45Å; E521-G589 CarbonylContact O-C 3.57Å; E521-G589 WeakPolarHBondContact O-CA 3.31Å
590	R	95.6	Very high	91.6	Very high	91 Å²	91	47.1 Å²	47.1	34%	0.343	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	150.2	-177.2	57.6	-171.2	169.5	178.1	0.4	110.9	R484 E485 E521 L592	R484-R590 CarbonylContact O-C 3.57Å; R484-R590 WeakPolarHBondContact O-CA 3.4Å; R484-R590 VanDerWaalsContact O-CB 3.26Å; R484-R590 WeakPolarHBondContact O-CB 3.35Å; E485-R590 WeakPolarHBondContact OE1-CD 3.47Å; E521-R590 HydrophobicContact CB-CG 4.3Å; E521-R590 PolarHBondContact N-O 3.48Å; E521-R590 PolarHBondContact O-N 2.96Å; E521-R590 IonicContact OE1-NH2 3.93Å; E521-R590 IonicContact OE2-CZ 2.73Å; E521-R590 VanDerWaalsContact OE2-CZ 3.23Å; E521-R590 IonicContact OE2-NE 2.75Å; E521-R590 PolarHBondContact OE2-NE 3.26Å; E521-R590 IonicContact OE2-NH2 3.79Å; E521-R590 PolarHBondContact OE2-NH2 3.11Å; R590-L592 HydrophobicContact CG-CD2 3.96Å
591	I	96.4	Very high	91.9	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	126.2	162.9	178	158.3	0	0	0	108.6	F481 P483 R484 I492 I494 I520 I578 W594	F481-I591 HydrophobicContact CE1-CG1 4.35Å; F481-I591 HydrophobicContact CE1-CG2 4.42Å; F481-I591 HydrophobicContact CZ-CG1 4.36Å; F481-I591 HydrophobicContact CZ-CG2 3.95Å; P483-I591 CarbonylContact C-O 3.47Å; P483-I591 WeakPolarHBondContact CA-O 3.36Å; R484-I591 HydrophobicContact CB-CG2 3.81Å; R484-I591 PolarHBondContact N-O 3.24Å; R484-I591 PolarHBondContact O-N 2.99Å; I492-I591 HydrophobicContact CD1-CG2 3.9Å; I492-I591 HydrophobicContact CG2-CG2 4.37Å; I494-I591 HydrophobicContact CD1-CD1 3.88Å; I520-I591 HydrophobicContact CG1-CD1 4.48Å; I520-I591 HydrophobicContact CG1-CG1 4.41Å; I578-I591 HydrophobicContact CD1-CB 4.35Å; I578-I591 HydrophobicContact CD1-CD1 3.43Å; I578-I591 VanDerWaalsContact CD1-CD1 3.43Å; I578-I591 HydrophobicContact CD1-CG1 4.46Å; I591-W594 HydrophobicContact CD1-CB 4.27Å
592	L	96.3	Very high	92.7	Very high	53 Å²	53	46.6 Å²	46.6	28%	0.277	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-47.4	-179.4	-61.8	178	0	0	0	111.3	P483 S519 E521 R590	P483-L592 HydrophobicContact CB-CD2 4.41Å; S519-L592 PolarHBondContact O-N 3.33Å; E521-L592 HydrophobicContact CG-CD1 3.94Å; E521-L592 HydrophobicContact CG-CG 4.28Å; R590-L592 HydrophobicContact CG-CD2 3.96Å
593	N	96.1	Very high	93.4	Very high	67 Å²	67	51.9 Å²	51.9	36%	0.358	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	166.1	-179.8	61.9	38.1	0	0	0	110.5	S519	S519-N593 WeakPolarHBondContact CB-OD1 3.2Å; S519-N593 PolarHBondContact N-O 2.91Å; S519-N593 VanDerWaalsContact N-O 3.12Å; S519-N593 PolarHBondContact N-OD1 3.33Å; S519-N593 PolarHBondContact OG-OD1 2.8Å; S519-N593 VanDerWaalsContact OG-OD1 3.09Å
594	W	96.8	Very high	94.5	Very high	20 Å²	20	52.5 Å²	52.5	8%	0.076	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	155.1	171.8	60.2	-86.3	0	0	0	109.9	D478 F481 I494 I496 E517 L576 I591 L596	D478-W594 HydrophobicContact CB-CH2 4.26Å; D478-W594 HydrophobicContact CB-CZ2 3.73Å; F481-W594 AromaticContact CD2-CD1 3.87Å; F481-W594 AromaticContact CD2-NE1 3.18Å; F481-W594 AromaticContact CE1-CD1 3.9Å; F481-W594 AromaticContact CE2-CD1 3.68Å; F481-W594 AromaticContact CE2-NE1 3.31Å; F481-W594 VanDerWaalsContact CE2-NE1 3.31Å; F481-W594 AromaticContact CG-NE1 3.59Å; F481-W594 AromaticContact CZ-CD1 3.7Å; F481-W594 AromaticContact CZ-NE1 3.84Å; I494-W594 HydrophobicContact CG2-CZ2 4.04Å; I496-W594 HydrophobicContact CB-CH2 4.1Å; I496-W594 HydrophobicContact CB-CZ3 4.34Å; I496-W594 HydrophobicContact CD1-CD2 4.33Å; I496-W594 HydrophobicContact CD1-CE3 3.75Å; I496-W594 HydrophobicContact CD1-CH2 3.92Å; I496-W594 HydrophobicContact CD1-CZ2 4.43Å; I496-W594 HydrophobicContact CD1-CZ3 3.54Å; I496-W594 HydrophobicContact CG1-CE3 4.32Å; I496-W594 HydrophobicContact CG1-CH2 3.57Å; I496-W594 HydrophobicContact CG1-CZ2 3.98Å; I496-W594 HydrophobicContact CG1-CZ3 3.75Å; I496-W594 HydrophobicContact CG2-CH2 3.57Å; I496-W594 HydrophobicContact CG2-CZ3 3.68Å; E517-W594 CarbonylContact O-C 3.02Å; E517-W594 WeakPolarHBondContact O-CA 3.44Å; L576-W594 HydrophobicContact CD2-CB 4.46Å; I591-W594 HydrophobicContact CD1-CB 4.27Å; W594-L596 HydrophobicContact CZ3-CB 4.27Å
595	K	97.3	Very high	95.1	Very high	51 Å²	51	47.6 Å²	47.6	22%	0.222	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	140.1	161.6	57.3	177.5	-150.5	-142.4	0	109.2	I475 R477 E517 I597	I475-K595 HydrophobicContact CG2-CB 4.37Å; I475-K595 HydrophobicContact CG2-CD 4.46Å; R477-K595 HydrophobicContact CB-CB 4.33Å; E517-K595 HydrophobicContact CB-CD 4.03Å; E517-K595 VanDerWaalsContact CB-CE 3.49Å; E517-K595 HydrophobicContact CB-CG 3.48Å; E517-K595 VanDerWaalsContact CB-CG 3.48Å; E517-K595 HydrophobicContact CG-CG 4.4Å; E517-K595 PolarHBondContact N-O 3.29Å; E517-K595 PolarHBondContact O-N 2.78Å; E517-K595 VanDerWaalsContact OE1-CD 3.22Å; E517-K595 WeakPolarHBondContact OE1-CD 3.31Å; E517-K595 WeakPolarHBondContact OE1-CE 3.1Å; E517-K595 IonicContact OE1-NZ 2.59Å; E517-K595 PolarHBondContact OE1-NZ 3.13Å; E517-K595 WeakPolarHBondContact OE2-CE 3.43Å; E517-K595 IonicContact OE2-NZ 2.83Å; E517-K595 PolarHBondContact OE2-NZ 2.97Å; K595-I597 HydrophobicContact CD-CD1 4.44Å; K595-I597 HydrophobicContact CD-CG1 4.38Å; K595-I597 HydrophobicContact CG-CG1 4.35Å
596	L	98.4	Very high	95.7	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.3	173.2	176.4	71.2	0	0	0	107.8	V476 I496 V514 V516 L532 W574 W594 L598	V476-L596 HydrophobicContact CB-CB 4.23Å; V476-L596 PolarHBondContact N-O 2.9Å; V476-L596 PolarHBondContact O-N 3.06Å; I496-L596 HydrophobicContact CG2-CD2 4.09Å; V514-L596 HydrophobicContact CG1-CD1 3.59Å; V516-L596 HydrophobicContact CG2-CD1 3.91Å; L532-L596 HydrophobicContact CD2-CD1 4.28Å; W574-L596 HydrophobicContact CB-CD2 4.13Å; W574-L596 HydrophobicContact CD2-CD2 3.96Å; W574-L596 HydrophobicContact CG-CD2 3.7Å; W594-L596 HydrophobicContact CZ3-CB 4.27Å; L596-L598 HydrophobicContact CD1-CD2 4.2Å; L596-L598 HydrophobicContact CD2-CD2 4.03Å; L596-L598 HydrophobicContact CG-CD2 3.88Å; L596-L598 HydrophobicContact CG-CG 4.33Å
597	I	98.5	Very high	96.1	Very high	8 Å²	8	41 Å²	41	4%	0.041	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.8	179.4	-37.9	174.5	0	0	0	108	Q473 I475 V514 Q515 K595 H599	Q473-I597 HydrophobicContact CG-CG2 3.8Å; I475-I597 HydrophobicContact CG1-CG2 4.17Å; V514-I597 WeakPolarHBondContact CA-O 3.35Å; Q515-I597 HydrophobicContact CB-CB 4.14Å; Q515-I597 HydrophobicContact CB-CD1 4.16Å; Q515-I597 HydrophobicContact CB-CG1 4.34Å; Q515-I597 PolarHBondContact N-O 3.25Å; Q515-I597 PolarHBondContact O-N 2.79Å; K595-I597 HydrophobicContact CD-CD1 4.44Å; K595-I597 HydrophobicContact CD-CG1 4.38Å; K595-I597 HydrophobicContact CG-CG1 4.35Å; I597-H599 WeakPolarHBondContact CG2-NE2 2.89Å
598	L	98.6	Very high	96.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.5	179.1	-54.9	173.3	0	0	0	108.1	Q473 C474 V476 A500 I508 L511 V514 P570 W574 L596	Q473-L598 WeakPolarHBondContact CA-O 3.5Å; C474-L598 HydrophobicContact CB-CB 4.29Å; C474-L598 PolarHBondContact N-O 2.89Å; C474-L598 PolarHBondContact O-N 3.16Å; V476-L598 HydrophobicContact CG2-CD1 4.2Å; A500-L598 HydrophobicContact CB-CD1 4.08Å; I508-L598 HydrophobicContact CD1-CB 3.69Å; I508-L598 WeakPolarHBondContact CD1-O 3.24Å; L511-L598 HydrophobicContact CD2-CB 4.03Å; L511-L598 HydrophobicContact CD2-CD2 4.08Å; V514-L598 HydrophobicContact CG1-CD2 4.14Å; V514-L598 HydrophobicContact CG2-CD2 3.99Å; P570-L598 HydrophobicContact CB-CD1 3.85Å; P570-L598 HydrophobicContact CB-CD2 4.31Å; P570-L598 HydrophobicContact CG-CD1 4.3Å; W574-L598 HydrophobicContact CZ2-CD2 4.1Å; L596-L598 HydrophobicContact CD1-CD2 4.2Å; L596-L598 HydrophobicContact CD2-CD2 4.03Å; L596-L598 HydrophobicContact CG-CD2 3.88Å; L596-L598 HydrophobicContact CG-CG 4.33Å
599	H	98.6	Very high	96.3	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137.7	176.2	-59	-119.3	0	0	0	108.3	I333 K471 E512 H513 Q515 I597	I333-H599 WeakPolarHBondContact CD1-ND1 3.19Å; K471-H599 PolarHBondContact NZ-ND1 2.87Å; K471-H599 VanDerWaalsContact NZ-ND1 3.13Å; E512-H599 PolarHBondContact N-O 2.77Å; H513-H599 HydrophobicContact CB-CB 4Å; H513-H599 PolarHBondContact N-O 2.82Å; H513-H599 WeakPolarHBondContact O-CA 3.39Å; H513-H599 WeakPolarHBondContact O-CB 3.23Å; H513-H599 PolarHBondContact O-N 3.36Å; Q515-H599 PolarHBondContact OE1-NE2 3.42Å; Q515-H599 VanDerWaalsContact OE1-NE2 3.15Å; I597-H599 WeakPolarHBondContact CG2-NE2 2.89Å
600	G	98.1	Very high	96.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-150.1	178.6	0	0	0	0	0	112.8	K472 S510	K472-G600 PolarHBondContact N-O 2.99Å; K472-G600 PolarHBondContact O-N 3.36Å; S510-G600 WeakPolarHBondContact O-CA 3.43Å
601	T	98.1	Very high	95.9	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.4	-175.4	47.9	0	0	0	0	110.8	P469 G509 S510 E603	P469-T601 HydrophobicContact CB-CG2 3.78Å; P469-T601 HydrophobicContact CG-CG2 4.12Å; P469-T601 WeakPolarHBondContact O-CG2 3.26Å; G509-T601 PolarHBondContact N-O 3.37Å; S510-T601 PolarHBondContact N-O 3.14Å; S510-T601 PolarHBondContact O-N 3.44Å; T601-E603 VanDerWaalsContact C-N 3.26Å; T601-E603 WeakPolarHBondContact CB-O 3.37Å; T601-E603 PolarHBondContact O-N 3.45Å; T601-E603 PolarHBondContact OG1-O 3.43Å
602	S	95.4	Very high	95.6	Very high	61 Å²	61	48.3 Å²	48.3	43%	0.427	24%	0.237	S	C	.	.	S	Bend	trans	-69.1	-27.7	178.4	-54.2	0	0	0	0	112.5	A507	A507-S602 WeakPolarHBondContact O-CA 3.48Å; A507-S602 WeakPolarHBondContact O-CB 3.49Å; A507-S602 PolarHBondContact O-OG 2.79Å
603	E	93.6	Very high	95.2	Very high	122 Å²	122	50.9 Å²	50.9	57%	0.57	25%	0.254	S	S	*	.	S	Bend	trans	-124.8	154.2	177	65.2	178.2	173.9	0	0	111.1	P469 T601 P605	P469-E603 HydrophobicContact CB-CG 4.28Å; P469-E603 HydrophobicContact CG-CG 3.68Å; T601-E603 VanDerWaalsContact C-N 3.26Å; T601-E603 WeakPolarHBondContact CB-O 3.37Å; T601-E603 PolarHBondContact O-N 3.45Å; T601-E603 PolarHBondContact OG1-O 3.43Å; E603-P605 WeakPolarHBondContact O-CD 3.38Å
604	K	95.2	Very high	94.7	Very high	86 Å²	86	49.1 Å²	49.1	37%	0.374	24%	0.243	S	C	.	.			trans	-68.2	125.9	-179.6	-161.4	173.8	-155.2	-163.8	0	110.7	M608 K609	K604-M608 HydrophobicContact CD-CB 4.28Å; K604-M608 WeakPolarHBondContact CD-O 3.18Å; K604-M608 WeakPolarHBondContact CE-O 3.24Å; K604-M608 HydrophobicContact CG-CB 3.95Å; K604-M608 PolarHBondContact NZ-O 2.76Å; K604-K609 WeakPolarHBondContact O-CE 3.36Å
605	P	96.5	Very high	93.6	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.013	27%	0.267	C	S	.	.			trans	-56.5	149.6	178	-26.1	34.3	0	0	0	112.9	V468 E603 H607 M608 K609	V468-P605 HydrophobicContact CG1-CB 4.19Å; V468-P605 HydrophobicContact CG1-CG 4.4Å; E603-P605 WeakPolarHBondContact O-CD 3.38Å; P605-H607 VanDerWaalsContact C-N 3.34Å; P605-H607 VanDerWaalsContact CB-CE1 3.49Å; P605-H607 WeakPolarHBondContact CB-CE1 3.19Å; P605-H607 PolarHBondContact O-N 3.23Å; P605-M608 HydrophobicContact CB-CG 4.34Å; P605-M608 HydrophobicContact CG-SD 4.22Å; P605-M608 PolarHBondContact O-N 3.02Å; P605-K609 PolarHBondContact O-N 3.38Å
606	E	96.4	Very high	92.2	Very high	107 Å²	107	54.2 Å²	54.2	50%	0.5	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-55.1	-45	-172.4	-172.8	60.1	-150.7	0	0	113.1	R466 M608 K609	R466-E606 HydrophobicContact CB-CB 4.12Å; R466-E606 HydrophobicContact CB-CG 4.49Å; R466-E606 HydrophobicContact CG-CG 4.35Å; E606-M608 PolarHBondContact O-N 3.42Å; E606-K609 PolarHBondContact O-N 2.95Å; E606-K609 WeakPolarHBondContact OE2-CD 3.35Å; E606-K609 VanDerWaalsContact OE2-CE 3.29Å; E606-K609 WeakPolarHBondContact OE2-CE 3.4Å; E606-K609 IonicContact OE2-NZ 2.83Å; E606-K609 PolarHBondContact OE2-NZ 2.98Å
607	H	94.7	Very high	90.4	Very high	27 Å²	27	55.2 Å²	55.2	13%	0.125	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-62.3	-25.1	179.3	64.1	-85.3	0	0	0	112.9	H416 W420 W465 P605	H416-H607 AromaticContact CG-CE1 3.75Å; H416-H607 AromaticContact CG-NE2 3.87Å; H416-H607 AromaticContact ND1-CE1 3.27Å; H416-H607 PolarHBondContact ND1-CE1 2.79Å; H416-H607 VanDerWaalsContact ND1-CE1 3.27Å; H416-H607 AromaticContact ND1-NE2 3.22Å; H416-H607 PolarHBondContact ND1-NE2 3.44Å; W420-H607 AromaticContact CD2-CD2 3.77Å; W420-H607 AromaticContact CE3-CD2 3.76Å; W420-H607 WeakPolarHBondContact CH2-O 3.39Å; W420-H607 WeakPolarHBondContact CZ2-O 3.27Å; W465-H607 AromaticContact CH2-CE1 3.42Å; W465-H607 VanDerWaalsContact CH2-CE1 3.42Å; W465-H607 WeakPolarHBondContact CH2-CE1 3.28Å; W465-H607 AromaticContact CH2-CG 3.85Å; W465-H607 AromaticContact CH2-ND1 3.28Å; W465-H607 VanDerWaalsContact CH2-ND1 3.28Å; W465-H607 WeakPolarHBondContact CH2-ND1 3.45Å; W465-H607 HydrophobicContact CZ3-CB 3.99Å; W465-H607 AromaticContact CZ3-CG 3.7Å; W465-H607 AromaticContact CZ3-ND1 3.55Å; P605-H607 VanDerWaalsContact C-N 3.34Å; P605-H607 VanDerWaalsContact CB-CE1 3.49Å; P605-H607 WeakPolarHBondContact CB-CE1 3.19Å; P605-H607 PolarHBondContact O-N 3.23Å
608	M	95.4	Very high	88.3	Confident	3 Å²	3	57.4 Å²	57.4	2%	0.015	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-96.2	-2.8	-178.3	-49.9	-172.7	75.2	0	0	114.3	W420 L440 K604 P605 E606 K610	W420-M608 HydrophobicContact CE3-CE 4.47Å; W420-M608 HydrophobicContact CE3-CG 4.05Å; W420-M608 HydrophobicContact CH2-CB 4.32Å; W420-M608 HydrophobicContact CH2-CG 4.4Å; W420-M608 HydrophobicContact CZ3-CB 4.03Å; W420-M608 HydrophobicContact CZ3-CE 4.03Å; W420-M608 HydrophobicContact CZ3-CG 3.71Å; L440-M608 HydrophobicContact CD1-CE 4.34Å; K604-M608 HydrophobicContact CD-CB 4.28Å; K604-M608 WeakPolarHBondContact CD-O 3.18Å; K604-M608 WeakPolarHBondContact CE-O 3.24Å; K604-M608 HydrophobicContact CG-CB 3.95Å; K604-M608 PolarHBondContact NZ-O 2.76Å; P605-M608 HydrophobicContact CB-CG 4.34Å; P605-M608 HydrophobicContact CG-SD 4.22Å; P605-M608 PolarHBondContact O-N 3.02Å; E606-M608 PolarHBondContact O-N 3.42Å; M608-K610 CarbonylContact C-O 3.5Å; M608-K610 PolarHBondContact O-N 3Å
609	K	92.7	Very high	85.8	Confident	116 Å²	116	60.2 Å²	60.2	50%	0.504	32%	0.316	S	S	.	.	S	Bend	trans	-65.6	-29.9	176.4	-71.3	-178.1	-177.4	168.2	0	111.8	K604 P605 E606	K604-K609 WeakPolarHBondContact O-CE 3.36Å; P605-K609 PolarHBondContact O-N 3.38Å; E606-K609 PolarHBondContact O-N 2.95Å; E606-K609 WeakPolarHBondContact OE2-CD 3.35Å; E606-K609 VanDerWaalsContact OE2-CE 3.29Å; E606-K609 WeakPolarHBondContact OE2-CE 3.4Å; E606-K609 IonicContact OE2-NZ 2.83Å; E606-K609 PolarHBondContact OE2-NZ 2.98Å
610	K	90.5	Very high	82.9	Confident	169 Å²	169	65.4 Å²	65.4	74%	0.735	35%	0.347	S	S	*	.	S	Bend	trans	-98.1	143.2	168.8	-64.9	179	-176.4	174.2	0	109	W420 M608	W420-K610 VanDerWaalsContact CH2-O 3.31Å; W420-K610 WeakPolarHBondContact CH2-O 3.21Å; M608-K610 CarbonylContact C-O 3.5Å; M608-K610 PolarHBondContact O-N 3Å
611	P	89.6	Confident	80.1	Confident	99 Å²	99	74.3 Å²	74.3	64%	0.643	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-61.9	143.3	175.6	27	-33.6	0	0	0	110.1	V613	P611-V613 PolarHBondContact O-N 2.79Å
612	R	91.6	Very high	76.9	Confident	19 Å²	19	81.7 Å²	81.7	7%	0.072	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-63.1	131.2	171.9	-175.1	174.6	174.9	-170.8	-5.4	108.9	V419 W420 S422 E423 L440 Y614	V419-R612 PolarHBondContact O-NH1 2.97Å; W420-R612 HydrophobicContact CE3-CB 4.43Å; W420-R612 HydrophobicContact CH2-CB 3.66Å; W420-R612 HydrophobicContact CZ2-CB 3.73Å; W420-R612 HydrophobicContact CZ2-CG 4.31Å; W420-R612 HydrophobicContact CZ3-CB 4.03Å; W420-R612 PolarHBondContact O-NE 3Å; W420-R612 PolarHBondContact O-NH2 3.03Å; S422-R612 VanDerWaalsContact O-CZ 3.24Å; S422-R612 PolarHBondContact O-NH1 2.72Å; S422-R612 PolarHBondContact O-NH2 3.4Å; E423-R612 IonicContact OE2-NH2 2.74Å; L440-R612 HydrophobicContact CD2-CB 3.77Å; L440-R612 HydrophobicContact CD2-CG 4.26Å; R612-Y614 HydrophobicContact CG-CE2 4.44Å; R612-Y614 PolarHBondContact NH1-OH 3.45Å
613	V	87.9	Confident	73.8	Confident	106 Å²	106	84.2 Å²	84.2	64%	0.642	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-102.8	118.6	174.2	-179.3	0	0	0	0	107.7	P611 I615	P611-V613 PolarHBondContact O-N 2.79Å; V613-I615 HydrophobicContact CG1-CG1 4.37Å
614	Y	84.4	Confident	70.8	Confident	31 Å²	31	90.5 Å²	90.5	12%	0.122	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-82.4	123	172.2	-69.6	-77.7	0	0	0	109	F424 L440 M441 R612	F424-Y614 AromaticContact CD1-CD1 3.43Å; F424-Y614 HydrophobicContact CD1-CD1 3.43Å; F424-Y614 VanDerWaalsContact CD1-CD1 3.43Å; F424-Y614 AromaticContact CD1-CE1 3.65Å; F424-Y614 HydrophobicContact CD1-CE1 3.65Å; F424-Y614 HydrophobicContact CD1-CG 4.01Å; F424-Y614 AromaticContact CE1-CD1 3.59Å; F424-Y614 HydrophobicContact CE1-CD1 3.59Å; F424-Y614 HydrophobicContact CE1-CD2 4.39Å; F424-Y614 HydrophobicContact CE1-CE1 4.2Å; F424-Y614 AromaticContact CE1-CG 3.69Å; F424-Y614 HydrophobicContact CE1-CG 3.69Å; L440-Y614 WeakPolarHBondContact CA-OH 3.33Å; M441-Y614 HydrophobicContact CB-CE1 4.4Å; M441-Y614 HydrophobicContact CB-CE2 4.5Å; M441-Y614 HydrophobicContact CG-CD2 4.44Å; M441-Y614 HydrophobicContact CG-CE1 4.33Å; M441-Y614 HydrophobicContact CG-CE2 3.87Å; M441-Y614 PolarHBondContact N-OH 3.18Å; R612-Y614 HydrophobicContact CG-CE2 4.44Å; R612-Y614 PolarHBondContact NH1-OH 3.45Å
615	I	74.1	Confident	67.9	Low	111 Å²	111	96 Å²	96	57%	0.569	47%	0.474	S	S	*	.			trans	-106.8	130.7	175.7	-56.8	174.6	0	0	0	106.1	V613 Y617	V613-I615 HydrophobicContact CG1-CG1 4.37Å; I615-Y617 PolarHBondContact O-N 2.78Å
616	P	67	Low	64.7	Low	67 Å²	67	99.1 Å²	99.1	44%	0.435	51%	0.507	S	S	.	.			trans	-53.1	131.4	176.9	-25	33.2	0	0	0	110.2	N618 A619	P616-N618 PolarHBondContact O-N 2.83Å; P616-A619 HydrophobicContact CB-CB 4.41Å; P616-A619 PolarHBondContact O-N 3.11Å
617	Y	62.1	Low	61.7	Low	22 Å²	22	100.6 Å²	100.6	9%	0.086	52%	0.523	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.7	-170.5	-167	-111	0	0	0	113	K150 D152 H154 E423 D425 P426 I615	K150-Y617 HydrophobicContact CB-CD1 4.42Å; K150-Y617 HydrophobicContact CB-CE1 4.08Å; K150-Y617 WeakPolarHBondContact O-CE1 3.35Å; D152-Y617 PolarHBondContact O-OH 3.05Å; H154-Y617 AromaticContact CE1-CE1 3.28Å; H154-Y617 WeakPolarHBondContact CE1-CE1 3.36Å; H154-Y617 AromaticContact CE1-CE2 3.66Å; H154-Y617 AromaticContact CE1-CZ 3.1Å; H154-Y617 PolarHBondContact CE1-OH 2.93Å; H154-Y617 VanDerWaalsContact CE1-OH 3.22Å; H154-Y617 AromaticContact ND1-CE1 3.82Å; H154-Y617 AromaticContact ND1-CE2 3.72Å; H154-Y617 AromaticContact ND1-CZ 3.18Å; H154-Y617 PolarHBondContact ND1-OH 3.3Å; E423-Y617 HydrophobicContact CB-CD2 3.99Å; E423-Y617 HydrophobicContact CB-CE2 4.13Å; E423-Y617 HydrophobicContact CG-CD2 3.82Å; E423-Y617 HydrophobicContact CG-CE2 3.9Å; D425-Y617 WeakPolarHBondContact OD2-CB 3.44Å; D425-Y617 PolarHBondContact OD2-N 2.8Å; P426-Y617 HydrophobicContact CG-CD1 3.58Å; P426-Y617 HydrophobicContact CG-CD2 3.74Å; P426-Y617 HydrophobicContact CG-CE1 3.74Å; P426-Y617 HydrophobicContact CG-CE2 3.93Å; P426-Y617 HydrophobicContact CG-CG 3.54Å; I615-Y617 PolarHBondContact O-N 2.78Å
618	N	54.1	Low	58.9	Low	53 Å²	53	108 Å²	108	28%	0.283	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-125.5	16	-176.1	-50.4	-71.4	0	0	0	114.6	P149 K150 P616 V620	P149-N618 VanDerWaalsContact CA-CG 3.48Å; P149-N618 WeakPolarHBondContact CA-ND2 3.44Å; P149-N618 WeakPolarHBondContact CA-OD1 3.13Å; P149-N618 VanDerWaalsContact CB-ND2 3.26Å; P149-N618 WeakPolarHBondContact CB-ND2 3.25Å; K150-N618 PolarHBondContact N-OD1 2.76Å; P616-N618 PolarHBondContact O-N 2.83Å; N618-V620 PolarHBondContact O-N 3.42Å
619	A	46.5	Very low	55.9	Low	60 Å²	60	115.1 Å²	115.1	50%	0.496	59%	0.59	S	S	.	*			trans	-72.4	74.1	166.3	0	0	0	0	0	108.9	P616 Q621	P616-A619 HydrophobicContact CB-CB 4.41Å; P616-A619 PolarHBondContact O-N 3.11Å; A619-Q621 PolarHBondContact O-N 2.86Å
620	V	36.8	Very low	53.8	Low	112 Å²	112	112.9 Å²	112.9	68%	0.679	58%	0.583	S	S	*	*			trans	-54.5	111.4	162.9	175.9	0	0	0	0	106.1	N618 N622	N618-V620 PolarHBondContact O-N 3.42Å; V620-N622 VanDerWaalsContact C-N 3.31Å; V620-N622 PolarHBondContact O-N 3.41Å
621	Q	39.2	Very low	51.6	Low	186 Å²	186	110.5 Å²	110.5	87%	0.869	58%	0.578	S	S	*	*	S	Bend	trans	-54.7	92.5	173.1	-73.2	179.1	-21.9	0	0	109.5	A619	A619-Q621 PolarHBondContact O-N 2.86Å
622	N	32	Very low	49.1	Very low	157 Å²	157	113 Å²	113	84%	0.84	59%	0.586	S	S	*	*			trans	-147.4	14.6	163.3	-101.8	-16.2	0	0	0	113.4	V620	V620-N622 VanDerWaalsContact C-N 3.31Å; V620-N622 PolarHBondContact O-N 3.41Å
623	D	28.9	Very low	46.7	Very low	114 Å²	114	119.9 Å²	119.9	61%	0.61	62%	0.621	S	S	*	*			trans	-110.5	119.7	162	-153.2	-15.9	0	0	0	110	R625	D623-R625 PolarHBondContact O-N 2.87Å; D623-R625 PolarHBondContact OD1-N 2.92Å; D623-R625 IonicContact OD1-NE 2.74Å
624	R	32.4	Very low	44.5	Very low	253 Å²	253	121.2 Å²	121.2	96%	0.955	62%	0.622	S	S	*	*	S	Bend	trans	-73.9	25	174	-82.7	-177.8	169.4	175.6	-2.5	111.9
625	R	32.7	Very low	42.1	Very low	201 Å²	201	128.6 Å²	128.6	76%	0.758	66%	0.657	S	S	*	*	S	Bend	trans	-139	108.6	-178	-76.9	-176.5	-83.7	-170.5	-6.7	110.6	D623	D623-R625 PolarHBondContact O-N 2.87Å; D623-R625 PolarHBondContact OD1-N 2.92Å; D623-R625 IonicContact OD1-NE 2.74Å
626	G	29.9	Very low	40	Very low	69 Å²	69	131 Å²	131	71%	0.711	67%	0.666	S	S	*	*			trans	77.8	107	149.7	0	0	0	0	0	116.1	E628	G626-E628 PolarHBondContact O-N 3.42Å
627	V	34.2	Very low	38.3	Very low	138 Å²	138	134.2 Å²	134.2	84%	0.836	69%	0.687	S	S	*	*			trans	-68	105.8	149.2	179	0	0	0	0	105.7
628	E	34	Very low	36.7	Very low	182 Å²	182	138.8 Å²	138.8	85%	0.85	72%	0.718	S	S	*	*			trans	-83.1	134.4	169.6	-70.2	-170.5	169.8	0	0	109.6	G626	G626-E628 PolarHBondContact O-N 3.42Å
629	H	34.4	Very low	35.5	Very low	152 Å²	152	144.8 Å²	144.8	70%	0.704	74%	0.744	S	S	*	*			trans	-71.7	129.7	-179.4	-110.7	-88.5	0	0	0	110	D631	H629-D631 IonicContact ND1-OD2 3.18Å; H629-D631 PolarHBondContact O-N 2.98Å; H629-D631 VanDerWaalsContact O-N 3.12Å
630	M	48.2	Very low	34.8	Very low	70 Å²	70	147.2 Å²	147.2	35%	0.345	76%	0.755	S	S	.	*	G	3₁₀ helix	trans	-80.2	15.9	-173.1	-150.3	172.3	80.6	0	0	114.4	F424 D632	F424-M630 HydrophobicContact CE1-CE 4.29Å; F424-M630 HydrophobicContact CZ-CE 3.78Å; M630-D632 PolarHBondContact O-N 2.75Å
631	D	43	Very low	34.4	Very low	118 Å²	118	153.2 Å²	153.2	63%	0.631	77%	0.765	S	S	*	*	G	3₁₀ helix	trans	-69.9	-22.4	174.1	-68.2	-46.2	0	0	0	111.2	H629 M633	H629-D631 IonicContact ND1-OD2 3.18Å; H629-D631 PolarHBondContact O-N 2.98Å; H629-D631 VanDerWaalsContact O-N 3.12Å; D631-M633 PolarHBondContact O-N 3.33Å
632	D	37.5	Very low	33.7	Very low	152 Å²	152	150.3 Å²	150.3	81%	0.813	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-82.2	-4.5	-174.9	-73.5	-20.9	0	0	0	115	M630	M630-D632 PolarHBondContact O-N 2.75Å
633	M	40.8	Very low	33.5	Very low	163 Å²	163	154.6 Å²	154.6	80%	0.803	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-103	1.9	-177	-67.5	-152.6	74.4	0	0	115	D631	D631-M633 PolarHBondContact O-N 3.33Å
634	M	43.3	Very low	33.5	Very low	134 Å²	134	158.1 Å²	158.1	66%	0.66	78%	0.779	S	S	*	*			trans	-119.3	38	-178.8	-65.8	-149.4	-158.6	0	0	114.4
635	E	32.6	Very low	33.1	Very low	186 Å²	186	153.6 Å²	153.6	87%	0.869	77%	0.774	S	S	*	*			trans	-85	115.7	163	-77.9	-167.2	158.8	0	0	110.9
636	E	30.1	Very low	32.8	Very low	163 Å²	163	148 Å²	148	76%	0.762	77%	0.772	S	S	*	*			trans	-61.3	145.9	162.2	-81.7	-168.3	155.2	0	0	110.4	T638	E636-T638 VanDerWaalsContact C-N 3.32Å; E636-T638 PolarHBondContact O-N 3.19Å
637	P	31.5	Very low	32.5	Very low	134 Å²	134	153.9 Å²	153.9	87%	0.87	78%	0.78	S	S	*	*			trans	-76.1	82.4	-179.4	31.2	-32.8	0	0	0	110.8
638	T	29.4	Very low	32.1	Very low	118 Å²	118	151.8 Å²	151.8	72%	0.724	78%	0.777	S	S	*	*			trans	-88.3	114.2	166.3	46.1	0	0	0	0	111.3	E636	E636-T638 VanDerWaalsContact C-N 3.32Å; E636-T638 PolarHBondContact O-N 3.19Å
639	Q	29	Very low	31.6	Very low	178 Å²	178	147.5 Å²	147.5	83%	0.832	77%	0.773	S	S	*	*	S	Bend	trans	86.8	143	156.6	-59.1	-84.6	-16.9	0	0	118.8
640	P	31.8	Very low	31.2	Very low	112 Å²	112	149.3 Å²	149.3	73%	0.727	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-85.5	140.1	-163.4	10.1	8.3	0	0	0	112.2
641	R	27.3	Very low	30.3	Very low	237 Å²	237	150.7 Å²	150.7	89%	0.894	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-63.7	137.3	171.7	-71.9	-177.8	177.9	-176.4	-0.4	111.3
642	P	25.2	Very low	29.4	Very low	125 Å²	125	150.1 Å²	150.1	81%	0.812	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-72.6	128.9	175.7	29	-31.1	0	0	0	110.3
643	R	27.6	Very low	29.1	Very low	247 Å²	247	148.1 Å²	148.1	93%	0.932	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-86.1	124.2	170.1	-74	-176.2	176.9	-176.9	-0.8	109.6
644	Q	27.9	Very low	28.3	Very low	188 Å²	188	145.2 Å²	145.2	88%	0.879	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-90.9	119.3	161	-76.2	-179.4	-14.6	0	0	109.2
645	N	25.6	Very low	27.4	Very low	158 Å²	158	145.7 Å²	145.7	85%	0.845	80%	0.803	S	S	*	*			trans	27	140.2	136.5	-66.4	-2.4	0	0	0	119.4
646	A	25.6	Very low	26.9	Very low	85 Å²	85	141.3 Å²	141.3	70%	0.702	79%	0.792	S	S	*	*			cis	-168.3	174.1	10.4	0	0	0	0	0	112
647	E	24.1	Very low	26.6	Very low	191 Å²	191	140.6 Å²	140.6	89%	0.893	79%	0.789	S	S	*	*			trans	82.8	132.8	155.1	-71	175.3	176.7	0	0	118.5
648	A	24.2	Very low	26.2	Very low	94 Å²	94	142 Å²	142	78%	0.777	78%	0.781	S	S	*	*			cis	-162.4	166.2	2.6	0	0	0	0	0	111.5
649	A	24.8	Very low	26.1	Very low	92 Å²	92	144.8 Å²	144.8	76%	0.76	79%	0.786	S	S	*	*			trans	80.3	97.8	149.8	0	0	0	0	0	122.2
650	E	26	Very low	26.3	Very low	191 Å²	191	141.2 Å²	141.2	89%	0.893	78%	0.778	S	S	*	*				70.3	153.4	119.9	-81.8	-151.5	-170.9	0	0	123.7
651	P	29.6	Very low	26	Very low	98 Å²	98	144.8 Å²	144.8	64%	0.636	78%	0.782	S	S	*	*				-130.6	172.3	-124.2	39.3	-21.8	0	0	0	118.1
652	S	23.7	Very low	25.9	Very low	106 Å²	106	138 Å²	138	74%	0.741	77%	0.772	S	S	*	*			trans	74.4	163.2	148.8	17.6	0	0	0	0	120.5
653	P	31.1	Very low	25.8	Very low	111 Å²	111	138.5 Å²	138.5	72%	0.721	77%	0.773	S	S	*	*			cis	-139.4	165.5	-14.4	34.2	-13.6	0	0	0	116.7
654	S	23	Very low	25.7	Very low	101 Å²	101	132.4 Å²	132.4	71%	0.706	77%	0.768	S	S	*	*			trans	34.5	133.6	139.9	69.3	0	0	0	0	122.1
655	V	24.6	Very low	25.5	Very low	145 Å²	145	127.3 Å²	127.3	88%	0.879	77%	0.766	S	S	*	*				-150.5	126.4	116.5	177.1	0	0	0	0	109.5
656	S	22	Very low	25.4	Very low	94 Å²	94	124 Å²	124	66%	0.657	77%	0.769	S	S	*	*			trans	-92.1	176.8	170.4	47.3	0	0	0	0	111.8
657	E	24.9	Very low	25.4	Very low	148 Å²	148	123.9 Å²	123.9	69%	0.692	78%	0.776	S	S	*	*			trans	104	140	164.9	-58.6	-164.3	164.5	0	0	114.4
658	K	23.5	Very low	25.5	Very low	162 Å²	162	120.3 Å²	120.3	70%	0.704	77%	0.772	S	S	*	*			cis	-174.6	141.4	-2	-110.6	170.4	-168.6	151.9	0	106.1
659	E	25.5	Very low	25.7	Very low	177 Å²	177	122 Å²	122	83%	0.827	78%	0.775	S	S	*	*			trans	-76.7	162.8	143.7	-99	-171.6	-179.5	0	0	108.7
660	P	34.3	Very low	26	Very low	103 Å²	103	129 Å²	129	67%	0.669	78%	0.782	S	S	*	*				-163.4	-179.2	53.7	42.7	-18.7	0	0	0	120.4
661	K	25.3	Very low	26.3	Very low	187 Å²	187	125.2 Å²	125.2	81%	0.813	77%	0.773	S	S	*	*			trans	82.9	111.5	139.1	-86.5	170.2	-175.2	-175.3	0	124.2
662	S	24.7	Very low	26.6	Very low	96 Å²	96	124.8 Å²	124.8	67%	0.671	77%	0.77	S	S	*	*				29.1	136.7	120.3	69.9	0	0	0	0	123.9
663	T	24.1	Very low	27.4	Very low	135 Å²	135	123.4 Å²	123.4	83%	0.828	76%	0.761	S	S	*	*				-171.4	127.5	123.8	25.1	0	0	0	0	115.4
664	S	25.1	Very low	27.7	Very low	119 Å²	119	124.4 Å²	124.4	83%	0.832	76%	0.759	S	S	*	*			trans	24.2	138.5	140	61.7	0	0	0	0	125.8
665	G	24.2	Very low	28.4	Very low	81 Å²	81	122.6 Å²	122.6	84%	0.835	75%	0.751	S	S	*	*				142.6	108.5	128.2	0	0	0	0	0	120.9
666	G	23.3	Very low	29	Very low	88 Å²	88	120.3 Å²	120.3	91%	0.907	73%	0.733	S	S	*	*				77.1	131	127	0	0	0	0	0	121.9
667	G	24.7	Very low	29.7	Very low	82 Å²	82	120.8 Å²	120.8	85%	0.845	73%	0.728	S	S	*	*			trans	-98.8	168.9	-169.3	0	0	0	0	0	119.6
668	S	26	Very low	30.2	Very low	117 Å²	117	122 Å²	122	82%	0.818	73%	0.726	S	S	*	*			trans	171.5	156.5	142.3	56.3	0	0	0	0	110.4
669	P	29.6	Very low	30.8	Very low	128 Å²	128	120.1 Å²	120.1	83%	0.831	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-88.3	139.6	-150.6	33.9	-32.3	0	0	0	113.8
670	R	29.9	Very low	31.2	Very low	241 Å²	241	116.8 Å²	116.8	91%	0.909	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-90.8	145.7	170.8	-80	-177.5	-178.6	172.1	1.1	111
671	P	33.1	Very low	31.2	Very low	110 Å²	110	118.8 Å²	118.8	71%	0.714	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-70.6	158.3	-168.1	30.4	-35.7	0	0	0	112.3	S673	P671-S673 PolarHBondContact O-N 3.17Å
672	P	37	Very low	31.8	Very low	89 Å²	89	115.2 Å²	115.2	58%	0.578	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-59.7	135.4	174.5	24	-30.6	0	0	0	109.9	L676	P672-L676 HydrophobicContact CB-CD2 4.04Å
673	S	39.6	Very low	32.3	Very low	78 Å²	78	114.6 Å²	114.6	55%	0.545	71%	0.705	S	S	.	*	P	Polyproline II helix	trans	-60.7	146.8	-179.5	67.8	0	0	0	0	110.8	P671 A675 L676	P671-S673 PolarHBondContact O-N 3.17Å; S673-A675 PolarHBondContact O-N 3.03Å; S673-L676 PolarHBondContact O-N 3.14Å
674	L	37.7	Very low	32.7	Very low	131 Å²	131	116.6 Å²	116.6	69%	0.686	70%	0.703	S	S	*	*	H	α-helix	trans	-54.6	-16.6	177.3	-129.3	111.2	0	0	0	113.4	R678	L674-R678 PolarHBondContact O-N 3.33Å; L674-R678 VanDerWaalsContact O-N 3.15Å
675	A	38.1	Very low	33.3	Very low	63 Å²	63	117.8 Å²	117.8	52%	0.521	70%	0.7	S	S	.	*	H	α-helix	trans	-71.1	-36.5	173.7	0	0	0	0	0	112.8	S673 R678 L679	S673-A675 PolarHBondContact O-N 3.03Å; A675-R678 PolarHBondContact O-N 3.19Å; A675-L679 PolarHBondContact O-N 3.39Å
676	L	37.2	Very low	33.6	Very low	98 Å²	98	123.7 Å²	123.7	51%	0.513	70%	0.702	S	S	.	*	H	α-helix	trans	-72.8	-34	176.8	-167.6	67.4	0	0	0	111.6	P672 S673 L680	P672-L676 HydrophobicContact CB-CD2 4.04Å; S673-L676 PolarHBondContact O-N 3.14Å; L676-L680 WeakPolarHBondContact O-CG 3.4Å; L676-L680 PolarHBondContact O-N 3.4Å
677	L	35.3	Very low	33.9	Very low	104 Å²	104	128.4 Å²	128.4	55%	0.545	70%	0.701	S	S	.	*	H	α-helix	trans	-70.4	-32.3	173.4	-89	158	0	0	0	112.9	Q681	L677-Q681 PolarHBondContact O-N 2.94Å
678	R	36.3	Very low	34.1	Very low	173 Å²	173	130.5 Å²	130.5	65%	0.653	70%	0.697	S	S	*	*	H	α-helix	trans	-76.9	-30.1	173.7	-80.4	-170.7	175.8	-173.7	0.9	113.6	L674 A675 L680 Q681 T682	L674-R678 PolarHBondContact O-N 3.33Å; L674-R678 VanDerWaalsContact O-N 3.15Å; A675-R678 PolarHBondContact O-N 3.19Å; R678-L680 VanDerWaalsContact C-N 3.33Å; R678-Q681 PolarHBondContact O-N 2.9Å; R678-T682 PolarHBondContact O-N 3.35Å; R678-T682 PolarHBondContact O-OG1 2.91Å
679	L	35.6	Very low	34.2	Very low	123 Å²	123	130.8 Å²	130.8	64%	0.644	70%	0.699	S	S	*	*	H	α-helix	trans	-66.3	-36.8	173.5	-129.9	100.6	0	0	0	111.6	A675 T682	A675-L679 PolarHBondContact O-N 3.39Å; L679-T682 PolarHBondContact O-OG1 2.8Å
680	L	33.7	Very low	34.2	Very low	106 Å²	106	129.3 Å²	129.3	56%	0.555	70%	0.697	S	S	*	*	H	α-helix	trans	-74.3	-28.8	177.5	-72.3	167.2	0	0	0	113.2	L676 R678	L676-L680 WeakPolarHBondContact O-CG 3.4Å; L676-L680 PolarHBondContact O-N 3.4Å; R678-L680 VanDerWaalsContact C-N 3.33Å
681	Q	34.3	Very low	34.3	Very low	145 Å²	145	124.1 Å²	124.1	68%	0.678	70%	0.695	S	S	*	*	H	α-helix	trans	-74.5	-25.7	176.4	-90.9	-179.1	-29.9	0	0	114.1	L677 R678	L677-Q681 PolarHBondContact O-N 2.94Å; R678-Q681 PolarHBondContact O-N 2.9Å
682	T	38.6	Very low	34.1	Very low	113 Å²	113	128.4 Å²	128.4	69%	0.693	71%	0.706	S	S	*	*	H	α-helix	trans	-83.8	-23.7	179	31	0	0	0	0	112.7	R678 L679 F684	R678-T682 PolarHBondContact O-N 3.35Å; R678-T682 PolarHBondContact O-OG1 2.91Å; L679-T682 PolarHBondContact O-OG1 2.8Å; T682-F684 VanDerWaalsContact C-N 3.33Å; T682-F684 PolarHBondContact O-N 3.44Å
683	A	34.7	Very low	33.7	Very low	82 Å²	82	132 Å²	132	68%	0.678	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-18.5	176.7	0	0	0	0	0	114.2
684	F	33.4	Very low	33.4	Very low	178 Å²	178	134.2 Å²	134.2	78%	0.781	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	-2.2	-173.6	-93.6	-81.1	0	0	0	116.3	T682	T682-F684 VanDerWaalsContact C-N 3.33Å; T682-F684 PolarHBondContact O-N 3.44Å
685	N	37.2	Very low	33	Very low	144 Å²	144	137 Å²	137	77%	0.77	74%	0.741	S	S	*	*			trans	-121.5	48.8	-169.6	-96.6	-7	0	0	0	115.5
686	K	31.3	Very low	32.5	Very low	204 Å²	204	138.9 Å²	138.9	89%	0.887	76%	0.757	S	S	*	*			trans	-136.2	91.7	162.7	-86.1	-172	177.1	177.3	0	112.1
687	Q	28.8	Very low	32	Very low	188 Å²	188	139.4 Å²	139.4	88%	0.879	78%	0.775	S	S	*	*			trans	-149.5	128.4	148.5	-106.2	-169.1	-3.4	0	0	112.7
688	V	29.3	Very low	31.6	Very low	125 Å²	125	139.2 Å²	139.2	76%	0.758	79%	0.789	S	S	*	*			trans	71.5	119.3	146.6	-170.9	0	0	0	0	120.9
689	S	26.8	Very low	31.1	Very low	123 Å²	123	142.4 Å²	142.4	86%	0.86	80%	0.801	S	S	*	*				-164.6	145.4	121.8	-17.3	0	0	0	0	113.4
690	A	30.4	Very low	31.6	Very low	97 Å²	97	141.2 Å²	141.2	80%	0.802	80%	0.8	S	S	*	*			trans	-85.2	170.6	-172.6	0	0	0	0	0	115.5
691	P	32.2	Very low	31.3	Very low	133 Å²	133	143 Å²	143	86%	0.864	81%	0.81	S	S	*	*			trans	-114.8	142.6	166.3	32.1	-17.9	0	0	0	115.5
692	Q	28.6	Very low	31	Very low	199 Å²	199	145.4 Å²	145.4	93%	0.93	82%	0.818	S	S	*	*			trans	-87.4	156.1	173.2	-73.3	174	-35.2	0	0	112.9
693	L	27.8	Very low	30.5	Very low	164 Å²	164	143.7 Å²	143.7	86%	0.859	82%	0.816	S	S	*	*			trans	-62.2	161.2	171.8	-83.5	141	0	0	0	114.7
694	P	34.6	Very low	30.2	Very low	125 Å²	125	150.2 Å²	150.2	81%	0.812	82%	0.823	S	S	*	*				-143.2	-179.8	112.1	30.9	-11.1	0	0	0	116.7
695	Q	28.2	Very low	30	Very low	189 Å²	189	150.8 Å²	150.8	88%	0.883	82%	0.82	S	S	*	*			trans	-87.5	152	-150.5	-65.1	168.8	-24.9	0	0	118.8
696	A	28	Very low	29.6	Very low	104 Å²	104	151.6 Å²	151.6	86%	0.86	82%	0.817	S	S	*	*			trans	35.1	130.1	134.6	0	0	0	0	0	124.1
697	A	26.6	Very low	29.5	Very low	108 Å²	108	150.4 Å²	150.4	89%	0.893	81%	0.814	S	S	*	*			trans	-156.4	162.2	136.8	0	0	0	0	0	111.7
698	A	27.1	Very low	29.5	Very low	100 Å²	100	151 Å²	151	83%	0.826	82%	0.817	S	S	*	*			trans	-98	154.4	-145.9	0	0	0	0	0	118.8
699	R	27.1	Very low	29.5	Very low	240 Å²	240	154 Å²	154	91%	0.906	82%	0.823	S	S	*	*			trans	-12.2	173	143.9	-100.2	-176.3	-177.1	-163.4	2.2	119.9
700	P	44.9	Very low	29.7	Very low	98 Å²	98	156.7 Å²	156.7	64%	0.636	82%	0.821	S	S	*	*			cis	-150.3	-174.3	-4.6	35.5	-11.4	0	0	0	118.3
701	L	27.8	Very low	29.6	Very low	145 Å²	145	160.3 Å²	160.3	76%	0.759	82%	0.822	S	S	*	*				116.9	143.8	129.4	-88.6	169.8	0	0	0	120.9
702	F	28.3	Very low	29.3	Very low	194 Å²	194	159.1 Å²	159.1	85%	0.851	82%	0.817	S	S	*	*			trans	94.9	146.9	169.5	-68.7	-82.6	0	0	0	118.4
703	A	28.2	Very low	29.3	Very low	77 Å²	77	161.7 Å²	161.7	64%	0.636	82%	0.818	S	S	*	*				-172	147.9	-68.1	0	0	0	0	0	107.6
704	R	28.9	Very low	29.3	Very low	219 Å²	219	157 Å²	157	83%	0.826	81%	0.809	S	S	*	*			trans	73.2	145	159.7	-73.4	175.3	169.6	-177.7	-1.3	116.4
705	R	28.9	Very low	29	Very low	190 Å²	190	161.6 Å²	161.6	72%	0.717	82%	0.817	S	S	*	*			cis	-169.5	143.5	27.2	-133.8	169.6	-177	-172.8	0.8	112
706	K	28.3	Very low	29.1	Very low	162 Å²	162	160.8 Å²	160.8	70%	0.704	82%	0.817	S	S	*	*			trans	59.9	112.5	137.3	-79.5	-179.5	176.2	-165	0	123.4
707	Q	28.6	Very low	29.4	Very low	178 Å²	178	161.3 Å²	161.3	83%	0.832	81%	0.812	S	S	*	*				33.7	124.5	113.1	-75.4	178.5	-29.5	0	0	120.7
708	Q	29.4	Very low	29.8	Very low	201 Å²	201	164.2 Å²	164.2	94%	0.939	81%	0.812	S	S	*	*				-159.6	134	119	-112.7	171.4	-4.1	0	0	112
709	Q	29.3	Very low	30.5	Very low	189 Å²	189	164.9 Å²	164.9	88%	0.883	81%	0.807	S	S	*	*			trans	-92.6	142.8	171	-79.9	172	-33.4	0	0	109.8
710	Q	29.6	Very low	31.2	Very low	178 Å²	178	159.3 Å²	159.3	83%	0.832	80%	0.8	S	S	*	*				-174	117.7	121.6	-109.5	170.9	-18.7	0	0	113.9
711	Q	29.3	Very low	31.4	Very low	174 Å²	174	164 Å²	164	81%	0.813	81%	0.811	S	S	*	*			trans	32.6	123.1	140.1	-68.9	173	-20.9	0	0	121.7
712	S	26.5	Very low	32.1	Very low	108 Å²	108	163.5 Å²	163.5	76%	0.755	81%	0.808	S	S	*	*				171.6	141.8	94.8	50	0	0	0	0	113.6
713	R	28.6	Very low	33.2	Very low	253 Å²	253	157.7 Å²	157.7	96%	0.955	79%	0.789	S	S	*	*			trans	51.6	119.2	158.3	-61.8	175.2	177.1	-176.9	-1.1	117.3
714	G	26.4	Very low	34	Very low	65 Å²	65	157 Å²	157	67%	0.67	78%	0.783	S	S	*	*			cis	141.3	108.8	16	0	0	0	0	0	106.5
715	F	29.1	Very low	34.8	Very low	222 Å²	222	152 Å²	152	97%	0.974	77%	0.769	S	S	*	*			trans	-169.1	136.2	156.9	-99.6	-75.7	0	0	0	107.9
716	L	30.5	Very low	35.8	Very low	171 Å²	171	148.9 Å²	148.9	90%	0.895	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-67.7	136	-178.3	-73.4	148.4	0	0	0	111.6
717	P	33.2	Very low	36.6	Very low	116 Å²	116	145.7 Å²	145.7	75%	0.753	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-92	134.2	162.9	27.3	-17.5	0	0	0	111.4
718	L	35.3	Very low	37.5	Very low	168 Å²	168	144.8 Å²	144.8	88%	0.88	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-63.9	142.5	168.4	-83.8	109.9	0	0	0	111.2	T720	L718-T720 PolarHBondContact O-N 3.33Å
719	P	43.3	Very low	38.4	Very low	114 Å²	114	140.9 Å²	140.9	74%	0.74	72%	0.723	S	S	*	*			trans	-85	114.1	178.4	31.7	-29.9	0	0	0	112.8
720	T	40.1	Very low	39.2	Very low	123 Å²	123	134 Å²	134	76%	0.755	70%	0.699	S	S	*	*				24.7	124	128.1	54.8	0	0	0	0	121.2	L718	L718-T720 PolarHBondContact O-N 3.33Å
721	K	50.3	Low	40.1	Very low	198 Å²	198	129.4 Å²	129.4	86%	0.861	68%	0.679	S	S	*	*			trans	40.8	118.4	131.5	-70.2	-176.1	176.7	-178.6	0	118.3
722	I	41.6	Very low	41	Very low	134 Å²	134	125.3 Å²	125.3	69%	0.687	66%	0.663	S	S	*	*			trans	-54.2	124.8	170	-58.5	173.9	0	0	0	109.5	A724 K726	I722-A724 PolarHBondContact O-N 3.31Å; I722-K726 HydrophobicContact CG2-CB 3.9Å
723	P	51.6	Low	42.1	Very low	71 Å²	71	125.5 Å²	125.5	46%	0.461	66%	0.655	S	S	.	*			trans	-60.6	135.5	177.4	-22.3	32.1	0	0	0	110.9	H725 K726 L727	P723-H725 PolarHBondContact O-N 3.4Å; P723-K726 WeakPolarHBondContact O-CB 3.39Å; P723-K726 PolarHBondContact O-N 2.83Å; P723-L727 PolarHBondContact O-N 3.17Å
724	A	44.6	Very low	42.9	Very low	62 Å²	62	118.8 Å²	118.8	51%	0.512	64%	0.637	S	S	.	*	H	α-helix	trans	-51.5	-33.2	-176.4	0	0	0	0	0	113.5	I722 K726 L727 Y728	I722-A724 PolarHBondContact O-N 3.31Å; A724-K726 VanDerWaalsContact C-N 3.28Å; A724-K726 PolarHBondContact O-N 3.37Å; A724-L727 WeakPolarHBondContact O-CB 3.22Å; A724-L727 PolarHBondContact O-N 2.79Å; A724-L727 VanDerWaalsContact O-N 3.16Å; A724-Y728 HydrophobicContact CB-CD2 4.37Å; A724-Y728 HydrophobicContact CB-CE2 4.11Å; A724-Y728 WeakPolarHBondContact O-CD2 3.26Å; A724-Y728 PolarHBondContact O-N 3.35Å
725	H	47.4	Very low	43.8	Very low	116 Å²	116	121 Å²	121	54%	0.537	63%	0.633	S	S	.	*	H	α-helix	trans	-63.2	-31.5	177.1	97	-88.6	0	0	0	113.5	P723 Q729	P723-H725 PolarHBondContact O-N 3.4Å; H725-Q729 WeakPolarHBondContact O-CB 3.45Å; H725-Q729 PolarHBondContact O-N 3.26Å
726	K	48.5	Very low	44.6	Very low	123 Å²	123	117.6 Å²	117.6	54%	0.535	62%	0.618	S	S	.	*	H	α-helix	trans	-76	-31.7	175.5	-70.4	-159.3	174.1	-172.2	0	112	I722 P723 A724 A730	I722-K726 HydrophobicContact CG2-CB 3.9Å; P723-K726 WeakPolarHBondContact O-CB 3.39Å; P723-K726 PolarHBondContact O-N 2.83Å; A724-K726 VanDerWaalsContact C-N 3.28Å; A724-K726 PolarHBondContact O-N 3.37Å; K726-A730 WeakPolarHBondContact O-CB 3.41Å; K726-A730 PolarHBondContact O-N 3.38Å
727	L	44.9	Very low	45.3	Very low	95 Å²	95	118.2 Å²	118.2	50%	0.497	61%	0.614	S	S	.	*	H	α-helix	trans	-66.1	-44.8	172.4	-174.3	72.2	0	0	0	110.8	P723 A724 A730 L731	P723-L727 PolarHBondContact O-N 3.17Å; A724-L727 WeakPolarHBondContact O-CB 3.22Å; A724-L727 PolarHBondContact O-N 2.79Å; A724-L727 VanDerWaalsContact O-N 3.16Å; L727-A730 PolarHBondContact O-N 3.47Å; L727-L731 HydrophobicContact CG-CD1 4.32Å; L727-L731 PolarHBondContact O-N 2.8Å
728	Y	48.8	Very low	45.7	Very low	160 Å²	160	117.1 Å²	117.1	63%	0.627	61%	0.609	S	S	*	*	H	α-helix	trans	-69.1	-34.1	177.1	-69.3	-62.3	0	0	0	112.8	A724 L731 D732	A724-Y728 HydrophobicContact CB-CD2 4.37Å; A724-Y728 HydrophobicContact CB-CE2 4.11Å; A724-Y728 WeakPolarHBondContact O-CD2 3.26Å; A724-Y728 PolarHBondContact O-N 3.35Å; Y728-L731 HydrophobicContact CD1-CD1 4.49Å; Y728-L731 PolarHBondContact O-N 3.35Å; Y728-D732 WeakPolarHBondContact O-CB 3.41Å; Y728-D732 PolarHBondContact O-N 3.16Å
729	Q	48.1	Very low	46.1	Very low	118 Å²	118	111.6 Å²	111.6	55%	0.551	59%	0.592	S	S	*	*	H	α-helix	trans	-64.7	-38.1	170.7	-103.7	-179.4	-12.7	0	0	113	H725 D732 L733	H725-Q729 WeakPolarHBondContact O-CB 3.45Å; H725-Q729 PolarHBondContact O-N 3.26Å; Q729-D732 PolarHBondContact O-N 2.86Å; Q729-L733 WeakPolarHBondContact O-CG 3.37Å; Q729-L733 PolarHBondContact O-N 3.33Å
730	A	46.1	Very low	46.1	Very low	46 Å²	46	112.9 Å²	112.9	38%	0.38	60%	0.601	S	S	.	*	H	α-helix	trans	-67.7	-41.8	176.4	0	0	0	0	0	111.8	K726 L727 D732 L733 I734	K726-A730 WeakPolarHBondContact O-CB 3.41Å; K726-A730 PolarHBondContact O-N 3.38Å; L727-A730 PolarHBondContact O-N 3.47Å; A730-D732 VanDerWaalsContact C-N 3.35Å; A730-D732 PolarHBondContact O-N 3.47Å; A730-L733 PolarHBondContact O-N 3.04Å; A730-I734 VanDerWaalsContact O-CG1 3.3Å; A730-I734 WeakPolarHBondContact O-CG1 3.39Å; A730-I734 PolarHBondContact O-N 2.9Å
731	L	47.9	Very low	46.6	Very low	81 Å²	81	110 Å²	110	42%	0.424	60%	0.595	S	S	.	*	H	α-helix	trans	-64.3	-36.9	174.3	-83.1	157.5	0	0	0	112.7	L727 Y728 L733 I734 N735	L727-L731 HydrophobicContact CG-CD1 4.32Å; L727-L731 PolarHBondContact O-N 2.8Å; Y728-L731 HydrophobicContact CD1-CD1 4.49Å; Y728-L731 PolarHBondContact O-N 3.35Å; L731-L733 VanDerWaalsContact C-N 3.34Å; L731-I734 PolarHBondContact O-N 2.83Å; L731-N735 WeakPolarHBondContact O-CB 3.18Å; L731-N735 PolarHBondContact O-N 2.97Å
732	D	49	Very low	46.3	Very low	87 Å²	87	108 Å²	108	47%	0.465	59%	0.594	S	S	.	*	H	α-helix	trans	-71.4	-29.7	177.2	-155.4	57.6	0	0	0	112.4	Y728 Q729 A730 K736	Y728-D732 WeakPolarHBondContact O-CB 3.41Å; Y728-D732 PolarHBondContact O-N 3.16Å; Q729-D732 PolarHBondContact O-N 2.86Å; A730-D732 VanDerWaalsContact C-N 3.35Å; A730-D732 PolarHBondContact O-N 3.47Å; D732-K736 WeakPolarHBondContact O-CB 3.49Å; D732-K736 WeakPolarHBondContact O-CG 3.1Å; D732-K736 PolarHBondContact O-N 3.5Å; D732-K736 IonicContact OD2-NZ 3.23Å; D732-K736 PolarHBondContact OD2-NZ 3.2Å
733	L	48	Very low	46.1	Very low	112 Å²	112	105.5 Å²	105.5	59%	0.586	59%	0.589	S	S	*	*	H	α-helix	trans	-72.6	-38.4	171.7	-80.5	164.7	0	0	0	112.4	Q729 A730 L731 K736	Q729-L733 WeakPolarHBondContact O-CG 3.37Å; Q729-L733 PolarHBondContact O-N 3.33Å; A730-L733 PolarHBondContact O-N 3.04Å; L731-L733 VanDerWaalsContact C-N 3.34Å; L733-K736 PolarHBondContact O-N 2.96Å
734	I	47	Very low	45.4	Very low	113 Å²	113	109.4 Å²	109.4	58%	0.579	61%	0.605	S	S	*	*	H	α-helix	trans	-66.4	-43.3	176	-70	165.5	0	0	0	110.6	A730 L731 K736 F737	A730-I734 VanDerWaalsContact O-CG1 3.3Å; A730-I734 WeakPolarHBondContact O-CG1 3.39Å; A730-I734 PolarHBondContact O-N 2.9Å; L731-I734 PolarHBondContact O-N 2.83Å; I734-K736 VanDerWaalsContact C-N 3.29Å; I734-K736 PolarHBondContact O-N 2.88Å; I734-F737 PolarHBondContact O-N 3.46Å; I734-F737 VanDerWaalsContact O-N 3.17Å
735	N	45.7	Very low	45	Very low	110 Å²	110	116 Å²	116	59%	0.588	62%	0.618	S	S	*	*	H	α-helix	trans	-70.8	-22.2	178.4	-80.1	-27.3	0	0	0	113.9	L731 F737 S738	L731-N735 WeakPolarHBondContact O-CB 3.18Å; L731-N735 PolarHBondContact O-N 2.97Å; N735-F737 VanDerWaalsContact C-N 3.3Å; N735-S738 PolarHBondContact O-OG 3.41Å
736	K	45	Very low	44.5	Very low	151 Å²	151	112.6 Å²	112.6	66%	0.657	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-14.1	172.5	-84.9	170.5	176.3	139.2	0	113.6	D732 L733 I734	D732-K736 WeakPolarHBondContact O-CB 3.49Å; D732-K736 WeakPolarHBondContact O-CG 3.1Å; D732-K736 PolarHBondContact O-N 3.5Å; D732-K736 IonicContact OD2-NZ 3.23Å; D732-K736 PolarHBondContact OD2-NZ 3.2Å; L733-K736 PolarHBondContact O-N 2.96Å; I734-K736 VanDerWaalsContact C-N 3.29Å; I734-K736 PolarHBondContact O-N 2.88Å
737	F	44.1	Very low	43.9	Very low	185 Å²	185	112.4 Å²	112.4	81%	0.811	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	3.8	176.8	-101.1	-87.5	0	0	0	114	I734 N735 G739	I734-F737 PolarHBondContact O-N 3.46Å; I734-F737 VanDerWaalsContact O-N 3.17Å; N735-F737 VanDerWaalsContact C-N 3.3Å; F737-G739 PolarHBondContact O-N 2.83Å
738	S	43.4	Very low	43.5	Very low	92 Å²	92	117.2 Å²	117.2	64%	0.643	63%	0.625	S	S	*	*			trans	-78.4	65.2	174.5	-42.2	0	0	0	0	111.5	N735	N735-S738 PolarHBondContact O-OG 3.41Å
739	G	41.9	Very low	42.9	Very low	52 Å²	52	112.8 Å²	112.8	54%	0.536	62%	0.617	S	S	.	*			trans	-80.2	160	164.4	0	0	0	0	0	111.5	F737 G741	F737-G739 PolarHBondContact O-N 2.83Å; G739-G741 PolarHBondContact O-N 2.68Å
740	P	44.2	Very low	42.3	Very low	142 Å²	142	113 Å²	113	92%	0.922	62%	0.622	S	S	*	*	S	Bend	trans	-77.9	113.5	-177.5	30.8	-29.9	0	0	0	110.4
741	G	50.3	Low	41.7	Very low	62 Å²	62	115 Å²	115	64%	0.639	63%	0.634	S	S	*	*	S	Bend	trans	102.5	130.1	174.9	0	0	0	0	0	112.8	G739	G739-G741 PolarHBondContact O-N 2.68Å
742	D	43.4	Very low	41.2	Very low	157 Å²	157	119.4 Å²	119.4	84%	0.84	65%	0.65	S	S	*	*			trans	76.9	78.9	174.7	-55	-19.6	0	0	0	115.9
743	S	38.1	Very low	40.8	Very low	81 Å²	81	124 Å²	124	57%	0.566	66%	0.661	S	S	*	*			trans	-72	133	162.3	81.8	0	0	0	0	109.4	Y745 S746	S743-Y745 PolarHBondContact O-N 2.91Å; S743-Y745 WeakPolarHBondContact OG-CB 3.38Å; S743-S746 PolarHBondContact O-N 2.91Å; S743-S746 PolarHBondContact O-OG 2.61Å
744	L	37.4	Very low	40.3	Very low	153 Å²	153	122.7 Å²	122.7	80%	0.801	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.1	-12.1	170.8	-115.3	92.1	0	0	0	115.7
745	Y	36.7	Very low	40.2	Very low	199 Å²	199	125.4 Å²	125.4	78%	0.78	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-27	176.9	-138.9	-91.1	0	0	0	113.1	S743	S743-Y745 PolarHBondContact O-N 2.91Å; S743-Y745 WeakPolarHBondContact OG-CB 3.38Å
746	S	36.7	Very low	39.5	Very low	45 Å²	45	129.3 Å²	129.3	32%	0.315	69%	0.688	S	S	.	*	H	α-helix	trans	-78.3	-29.1	178.9	56	0	0	0	0	113.3	S743 Y748 S749	S743-S746 PolarHBondContact O-N 2.91Å; S743-S746 PolarHBondContact O-OG 2.61Å; S746-Y748 VanDerWaalsContact C-N 3.26Å; S746-Y748 PolarHBondContact O-N 2.96Å; S746-S749 PolarHBondContact O-N 3.48Å; S746-S749 PolarHBondContact O-OG 2.85Å
747	D	35.1	Very low	38.9	Very low	119 Å²	119	128.3 Å²	128.3	64%	0.636	70%	0.696	S	S	*	*	H	α-helix	trans	-74	-20	177.7	-77.4	-8.3	0	0	0	112.7	S751	D747-S751 PolarHBondContact O-OG 3.1Å
748	Y	36.1	Very low	38.4	Very low	197 Å²	197	129 Å²	129	77%	0.773	70%	0.695	S	S	*	*	H	α-helix	trans	-81.5	-26.4	176.4	-119.1	-88.8	0	0	0	113	S746	S746-Y748 VanDerWaalsContact C-N 3.26Å; S746-Y748 PolarHBondContact O-N 2.96Å
749	S	36.9	Very low	37.8	Very low	67 Å²	67	133.9 Å²	133.9	47%	0.469	71%	0.705	S	S	.	*	H	α-helix	trans	-78.7	-31.9	177.5	60.8	0	0	0	0	113.1	S746	S746-S749 PolarHBondContact O-N 3.48Å; S746-S749 PolarHBondContact O-OG 2.85Å
750	D	34.3	Very low	37.6	Very low	121 Å²	121	140.3 Å²	140.3	65%	0.647	72%	0.72	S	S	*	*	H	α-helix	trans	-87.8	-12.7	-172.1	-76.7	1.1	0	0	0	114.2
751	S	35.2	Very low	36.9	Very low	90 Å²	90	143.7 Å²	143.7	63%	0.629	72%	0.715	S	S	*	*	S	Bend	trans	-94.7	-11.7	180	-62.6	0	0	0	0	114.4	D747 Y753	D747-S751 PolarHBondContact O-OG 3.1Å; S751-Y753 VanDerWaalsContact C-N 3.35Å
752	F	35.9	Very low	36	Very low	173 Å²	173	147.6 Å²	147.6	76%	0.759	72%	0.721	S	S	*	*	S	Bend	trans	-79.7	-17.8	-178.6	-145.2	-95	0	0	0	113.2
753	Y	40.7	Very low	35.5	Very low	182 Å²	182	147.5 Å²	147.5	71%	0.714	72%	0.721	S	S	*	*	S	Bend	trans	-112	7	-175.9	-69.4	-70.7	0	0	0	115.3	S751	S751-Y753 VanDerWaalsContact C-N 3.35Å
754	S	38.3	Very low	35.2	Very low	86 Å²	86	154.3 Å²	154.3	60%	0.601	73%	0.734	S	S	*	*	S	Bend	trans	-115.5	137.5	179.6	69.4	0	0	0	0	115	K756	S754-K756 PolarHBondContact O-N 3.46Å
755	I	44.8	Very low	34.9	Very low	169 Å²	169	155.3 Å²	155.3	87%	0.867	74%	0.739	S	S	*	*			trans	-75	92.4	-169.3	-57.6	157.9	0	0	0	110.6
756	K	31.1	Very low	34.5	Very low	193 Å²	193	156.8 Å²	156.8	84%	0.839	76%	0.759	S	S	*	*			trans	-149.8	141.1	153.2	-72.5	-164.9	-178.8	170.2	0	112	S754 Y758	S754-K756 PolarHBondContact O-N 3.46Å; K756-Y758 PolarHBondContact O-N 3.2Å
757	P	33.1	Very low	34.4	Very low	129 Å²	129	162.4 Å²	162.4	84%	0.838	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-71.5	126.4	179.1	27.5	-31.6	0	0	0	111.5	K759	P757-K759 PolarHBondContact O-N 3.21Å
758	Y	31.8	Very low	34.3	Very low	201 Å²	201	164.6 Å²	164.6	79%	0.788	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-74.6	122.3	177.5	-166.6	-99.1	0	0	0	110.9	K756	K756-Y758 PolarHBondContact O-N 3.2Å
759	K	30.9	Very low	34.2	Very low	193 Å²	193	162.8 Å²	162.8	84%	0.839	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-82.2	130.3	169.6	-100.5	-179	174.5	178	0	109.2	P757 R761	P757-K759 PolarHBondContact O-N 3.21Å; K759-R761 PolarHBondContact O-N 3.07Å
760	H	38.7	Very low	34.1	Very low	187 Å²	187	168.5 Å²	168.5	87%	0.866	81%	0.809	S	S	*	*			trans	-37.5	128.4	176	-77	-76.1	0	0	0	114.3
761	R	29.1	Very low	34	Very low	214 Å²	214	171.4 Å²	171.4	81%	0.808	82%	0.819	S	S	*	*			trans	-141	101.4	161.2	-125.8	-176.7	-176.7	-171	1.1	111.9	K759	K759-R761 PolarHBondContact O-N 3.07Å
762	N	31.1	Very low	34	Very low	143 Å²	143	176.9 Å²	176.9	77%	0.765	83%	0.832	S	S	*	*			trans	51.4	102.8	150.3	-95.8	-19.2	0	0	0	120.5	R764	N762-R764 PolarHBondContact O-N 3.2Å
763	D	34.6	Very low	33.8	Very low	156 Å²	156	177.1 Å²	177.1	83%	0.834	84%	0.837	S	S	*	*	S	Bend	trans	-73.6	55.5	169.1	-54.2	-37	0	0	0	113.4
764	R	29.9	Very low	33.3	Very low	223 Å²	223	176.8 Å²	176.8	84%	0.842	85%	0.846	S	S	*	*			trans	-121.8	17.2	177.6	-103	-175	177.2	179.9	0.3	114.6	N762	N762-R764 PolarHBondContact O-N 3.2Å
765	L	31	Very low	32.9	Very low	175 Å²	175	184.3 Å²	184.3	92%	0.916	87%	0.867	S	S	*	*			trans	-137.8	22.3	-178.7	-112.9	143.1	0	0	0	113.2
766	L	28.6	Very low	31.8	Very low	229 Å²	229	185.7 Å²	185.7	100%	1.199	87%	0.867	S	S	*	*			trans	-102.9	0	145.8	-76.9	162.9	0	0	0	106.5

Retrieved 766 of 766 residues in 2630.9 ms (Link to these results)

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