A0A087XGX6_POEFO Loading...

Integrin alpha FG-GAP repeat containing 1

AlphaFold DB , UniProt , Accession A0A087XGX6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 426 aa.

Structure Viewer

Loading PAE data...

(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	A	40.9	Very low	54.4	Low	158 Å²	158	116.7 Å²	116.7	100%	1.306	70%	0.698	S	S	*	*				0	91.6	0	0	0	0	0	0	107.6
2	G	42.6	Very low	55.3	Low	63 Å²	63	116.9 Å²	116.9	65%	0.649	69%	0.692	S	S	*	*			trans	-85.2	145.6	168.5	0	0	0	0	0	108.5	I4	G2-I4 PolarHBondContact O-N 2.85Å
3	P	50.2	Low	55.9	Low	123 Å²	123	118.9 Å²	118.9	80%	0.799	69%	0.687	S	S	*	*			trans	-70.6	122.3	-179.9	30.2	-29.7	0	0	0	107.8	L5	P3-L5 PolarHBondContact O-N 3.22Å; P3-L5 VanDerWaalsContact O-N 3.1Å
4	I	51.7	Low	56.4	Low	162 Å²	162	114.1 Å²	114.1	83%	0.831	67%	0.668	S	S	*	*			trans	-67.7	105.5	166	-65	168.5	0	0	0	104.7	G2 D6	G2-I4 PolarHBondContact O-N 2.85Å; I4-D6 PolarHBondContact O-N 3.45Å; I4-D6 VanDerWaalsContact O-N 3.15Å
5	L	51.6	Low	56.9	Low	130 Å²	130	114.1 Å²	114.1	68%	0.681	66%	0.663	S	S	*	*			trans	-67.5	111	171.4	-143.7	84.8	0	0	0	106.2	P3 I7 F10	P3-L5 PolarHBondContact O-N 3.22Å; P3-L5 VanDerWaalsContact O-N 3.1Å; L5-I7 PolarHBondContact O-N 2.87Å; L5-F10 HydrophobicContact CD2-CD2 4.22Å; L5-F10 HydrophobicContact CD2-CE2 4.46Å
6	D	59	Low	57.2	Low	90 Å²	90	114.1 Å²	114.1	48%	0.481	66%	0.655	S	S	.	*			trans	-69.6	105.1	-174.4	-166.4	-12.5	0	0	0	109.3	I4 T8 T9	I4-D6 PolarHBondContact O-N 3.45Å; I4-D6 VanDerWaalsContact O-N 3.15Å; D6-T8 VanDerWaalsContact CG-OG1 3.24Å; D6-T8 PolarHBondContact O-N 3.15Å; D6-T8 VanDerWaalsContact O-N 3.1Å; D6-T8 PolarHBondContact OD1-N 3.25Å; D6-T8 PolarHBondContact OD1-OG1 3.05Å; D6-T9 WeakPolarHBondContact CB-OG1 3.2Å; D6-T9 PolarHBondContact O-N 3.25Å; D6-T9 VanDerWaalsContact O-N 3.09Å; D6-T9 PolarHBondContact O-OG1 3Å
7	I	58	Low	57.1	Low	127 Å²	127	111.6 Å²	111.6	65%	0.651	64%	0.643	S	S	*	*	H	α-helix	trans	-55.7	-28.1	-175.5	-65.9	170	0	0	0	110.8	L5 F10 L11	L5-I7 PolarHBondContact O-N 2.87Å; I7-F10 PolarHBondContact O-N 3.19Å; I7-L11 HydrophobicContact CG2-CD1 3.68Å; I7-L11 PolarHBondContact O-N 2.69Å
8	T	60.8	Low	57.1	Low	87 Å²	87	112.4 Å²	112.4	53%	0.534	64%	0.637	S	S	.	*	H	α-helix	trans	-66.3	-41	178.9	62	0	0	0	0	112.6	D6 F10 L11 L12	D6-T8 VanDerWaalsContact CG-OG1 3.24Å; D6-T8 PolarHBondContact O-N 3.15Å; D6-T8 VanDerWaalsContact O-N 3.1Å; D6-T8 PolarHBondContact OD1-N 3.25Å; D6-T8 PolarHBondContact OD1-OG1 3.05Å; T8-F10 VanDerWaalsContact C-N 3.34Å; T8-F10 PolarHBondContact O-N 2.93Å; T8-L11 PolarHBondContact O-N 2.7Å; T8-L12 PolarHBondContact O-N 2.9Å
9	T	60.9	Low	56.8	Low	80 Å²	80	111.7 Å²	111.7	49%	0.491	63%	0.631	S	S	.	*	H	α-helix	trans	-66.1	-35.5	175.4	6.8	0	0	0	0	112.7	D6 L12 F13	D6-T9 WeakPolarHBondContact CB-OG1 3.2Å; D6-T9 PolarHBondContact O-N 3.25Å; D6-T9 VanDerWaalsContact O-N 3.09Å; D6-T9 PolarHBondContact O-OG1 3Å; T9-L12 PolarHBondContact O-N 3.1Å; T9-F13 PolarHBondContact O-N 3.05Å; T9-F13 VanDerWaalsContact O-N 3.1Å
10	F	62.8	Low	56.5	Low	149 Å²	149	111.8 Å²	111.8	65%	0.654	63%	0.629	S	S	*	*	H	α-helix	trans	-71.9	-39.3	179.1	-143.2	-89.1	0	0	0	111.5	L5 I7 T8 A14	L5-F10 HydrophobicContact CD2-CD2 4.22Å; L5-F10 HydrophobicContact CD2-CE2 4.46Å; I7-F10 PolarHBondContact O-N 3.19Å; T8-F10 VanDerWaalsContact C-N 3.34Å; T8-F10 PolarHBondContact O-N 2.93Å; F10-A14 WeakPolarHBondContact O-CB 3.42Å; F10-A14 PolarHBondContact O-N 3.35Å
11	L	60.4	Low	56.1	Low	115 Å²	115	111.7 Å²	111.7	60%	0.602	63%	0.627	S	S	*	*	H	α-helix	trans	-66.5	-38	173	-98.5	129.1	0	0	0	112.5	I7 T8 A14 L15	I7-L11 HydrophobicContact CG2-CD1 3.68Å; I7-L11 PolarHBondContact O-N 2.69Å; T8-L11 PolarHBondContact O-N 2.7Å; L11-A14 PolarHBondContact O-N 3.07Å; L11-L15 VanDerWaalsContact O-CB 3.31Å; L11-L15 WeakPolarHBondContact O-CB 3.47Å; L11-L15 PolarHBondContact O-N 3.5Å
12	L	64.4	Low	56.2	Low	119 Å²	119	108.5 Å²	108.5	62%	0.623	59%	0.587	S	S	*	*	H	α-helix	trans	-64.8	-43	176.2	-121.4	90.9	0	0	0	111.9	T8 T9 L15 Q16	T8-L12 PolarHBondContact O-N 2.9Å; T9-L12 PolarHBondContact O-N 3.1Å; L12-L15 PolarHBondContact O-N 3.05Å; L12-Q16 WeakPolarHBondContact O-CB 3.47Å; L12-Q16 PolarHBondContact O-N 3.16Å
13	F	63.1	Low	56	Low	143 Å²	143	110.8 Å²	110.8	63%	0.627	58%	0.584	S	S	*	*	H	α-helix	trans	-65.2	-44.7	176.4	-106.8	-86.4	0	0	0	111.7	T9 L15 Q16 T17	T9-F13 PolarHBondContact O-N 3.05Å; T9-F13 VanDerWaalsContact O-N 3.1Å; F13-L15 VanDerWaalsContact C-N 3.32Å; F13-L15 PolarHBondContact O-N 3.22Å; F13-Q16 PolarHBondContact O-N 2.94Å; F13-T17 PolarHBondContact O-N 2.58Å; F13-T17 PolarHBondContact O-OG1 2.87Å
14	A	63.1	Low	55.4	Low	51 Å²	51	112.5 Å²	112.5	42%	0.421	58%	0.581	S	S	.	*	H	α-helix	trans	-61.9	-39.6	177.2	0	0	0	0	0	112	F10 L11 T17 F18	F10-A14 WeakPolarHBondContact O-CB 3.42Å; F10-A14 PolarHBondContact O-N 3.35Å; L11-A14 PolarHBondContact O-N 3.07Å; A14-T17 WeakPolarHBondContact CA-OG1 3.36Å; A14-T17 PolarHBondContact O-OG1 2.84Å; A14-F18 VanDerWaalsContact O-CB 3.22Å; A14-F18 WeakPolarHBondContact O-CB 3.35Å; A14-F18 PolarHBondContact O-N 2.99Å
15	L	64.7	Low	54.7	Low	114 Å²	114	112.4 Å²	112.4	60%	0.597	58%	0.578	S	S	*	*	H	α-helix	trans	-68.6	-39.5	176.4	-156	82.2	0	0	0	111.6	L11 L12 F13 F18 L19	L11-L15 VanDerWaalsContact O-CB 3.31Å; L11-L15 WeakPolarHBondContact O-CB 3.47Å; L11-L15 PolarHBondContact O-N 3.5Å; L12-L15 PolarHBondContact O-N 3.05Å; F13-L15 VanDerWaalsContact C-N 3.32Å; F13-L15 PolarHBondContact O-N 3.22Å; L15-F18 PolarHBondContact O-N 2.7Å; L15-L19 WeakPolarHBondContact O-CB 3.48Å; L15-L19 PolarHBondContact O-N 3.29Å
16	Q	60.7	Low	54.2	Low	115 Å²	115	113.6 Å²	113.6	54%	0.537	58%	0.579	S	S	.	*	H	α-helix	trans	-65.3	-43	174.6	-99.9	178.9	-28.3	0	0	112.4	L12 F13 F18 L19 L20	L12-Q16 WeakPolarHBondContact O-CB 3.47Å; L12-Q16 PolarHBondContact O-N 3.16Å; F13-Q16 PolarHBondContact O-N 2.94Å; Q16-F18 VanDerWaalsContact C-N 3.35Å; Q16-L19 PolarHBondContact O-N 3.32Å; Q16-L20 WeakPolarHBondContact O-CB 3.14Å; Q16-L20 WeakPolarHBondContact O-CD1 2.97Å; Q16-L20 WeakPolarHBondContact O-CG 3.09Å; Q16-L20 PolarHBondContact O-N 3.25Å
17	T	56.2	Low	53.3	Low	72 Å²	72	112.1 Å²	112.1	44%	0.442	59%	0.585	S	S	.	*	H	α-helix	trans	-66.8	-36.7	175.1	46.6	0	0	0	0	111.9	F13 A14 L20 L21	F13-T17 PolarHBondContact O-N 2.58Å; F13-T17 PolarHBondContact O-OG1 2.87Å; A14-T17 WeakPolarHBondContact CA-OG1 3.36Å; A14-T17 PolarHBondContact O-OG1 2.84Å; T17-L20 PolarHBondContact O-N 3.3Å; T17-L21 WeakPolarHBondContact O-CB 3.31Å; T17-L21 WeakPolarHBondContact O-CD1 3.21Å; T17-L21 PolarHBondContact O-N 2.94Å
18	F	56.1	Low	52.7	Low	125 Å²	125	111.9 Å²	111.9	55%	0.548	59%	0.59	S	S	.	*	H	α-helix	trans	-69.7	-36.2	175.3	-171.2	-105	0	0	0	112.1	A14 L15 Q16 L21 L22	A14-F18 VanDerWaalsContact O-CB 3.22Å; A14-F18 WeakPolarHBondContact O-CB 3.35Å; A14-F18 PolarHBondContact O-N 2.99Å; L15-F18 PolarHBondContact O-N 2.7Å; Q16-F18 VanDerWaalsContact C-N 3.35Å; F18-L21 PolarHBondContact O-N 2.73Å; F18-L22 HydrophobicContact CD1-CD1 3.61Å; F18-L22 HydrophobicContact CE1-CD1 3.36Å; F18-L22 HydrophobicContact CE1-CG 4.37Å; F18-L22 HydrophobicContact CG-CD1 4.45Å; F18-L22 HydrophobicContact CZ-CD1 4.02Å; F18-L22 WeakPolarHBondContact O-CB 3.47Å; F18-L22 WeakPolarHBondContact O-CG 3.38Å; F18-L22 PolarHBondContact O-N 2.97Å
19	L	52.1	Low	52.6	Low	100 Å²	100	112.8 Å²	112.8	52%	0.524	59%	0.587	S	S	.	*	H	α-helix	trans	-69.1	-37.1	173.3	-135.6	81.7	0	0	0	111.8	L15 Q16 L22 L23	L15-L19 WeakPolarHBondContact O-CB 3.48Å; L15-L19 PolarHBondContact O-N 3.29Å; Q16-L19 PolarHBondContact O-N 3.32Å; L19-L22 PolarHBondContact O-N 3.47Å; L19-L23 WeakPolarHBondContact O-CB 3.39Å; L19-L23 WeakPolarHBondContact O-CD1 3.41Å; L19-L23 PolarHBondContact O-N 3.15Å
20	L	50.4	Low	53.3	Low	113 Å²	113	110.8 Å²	110.8	59%	0.592	58%	0.578	S	S	*	*	H	α-helix	trans	-66.3	-40.3	173.2	-85.4	154.3	0	0	0	111.7	Q16 T17 L22 L23 E24	Q16-L20 WeakPolarHBondContact O-CB 3.14Å; Q16-L20 WeakPolarHBondContact O-CD1 2.97Å; Q16-L20 WeakPolarHBondContact O-CG 3.09Å; Q16-L20 PolarHBondContact O-N 3.25Å; T17-L20 PolarHBondContact O-N 3.3Å; L20-L22 VanDerWaalsContact C-N 3.35Å; L20-L23 PolarHBondContact O-N 2.73Å; L20-E24 PolarHBondContact O-N 2.97Å
21	L	48.2	Very low	54.6	Low	109 Å²	109	104.1 Å²	104.1	57%	0.571	55%	0.549	S	S	*	.	H	α-helix	trans	-66.2	-33.1	172.5	-88	151.1	0	0	0	112.9	T17 F18	T17-L21 WeakPolarHBondContact O-CB 3.31Å; T17-L21 WeakPolarHBondContact O-CD1 3.21Å; T17-L21 PolarHBondContact O-N 2.94Å; F18-L21 PolarHBondContact O-N 2.73Å
22	L	43.3	Very low	56.2	Low	91 Å²	91	103.1 Å²	103.1	48%	0.476	54%	0.541	S	S	.	.	H	α-helix	trans	-75.2	-25.2	172.4	-83.7	159.9	0	0	0	113	F18 L19 L20	F18-L22 HydrophobicContact CD1-CD1 3.61Å; F18-L22 HydrophobicContact CE1-CD1 3.36Å; F18-L22 HydrophobicContact CE1-CG 4.37Å; F18-L22 HydrophobicContact CG-CD1 4.45Å; F18-L22 HydrophobicContact CZ-CD1 4.02Å; F18-L22 WeakPolarHBondContact O-CB 3.47Å; F18-L22 WeakPolarHBondContact O-CG 3.38Å; F18-L22 PolarHBondContact O-N 2.97Å; L19-L22 PolarHBondContact O-N 3.47Å; L20-L22 VanDerWaalsContact C-N 3.35Å
23	L	38.8	Very low	57.6	Low	112 Å²	112	101.8 Å²	101.8	59%	0.586	54%	0.535	S	S	*	.	H	α-helix	trans	-81.1	-21.7	173.8	-93.2	145.7	0	0	0	112.7	L19 L20 Q25	L19-L23 WeakPolarHBondContact O-CB 3.39Å; L19-L23 WeakPolarHBondContact O-CD1 3.41Å; L19-L23 PolarHBondContact O-N 3.15Å; L20-L23 PolarHBondContact O-N 2.73Å; L23-Q25 VanDerWaalsContact C-N 3.31Å
24	E	36.6	Very low	59.2	Low	158 Å²	158	95.2 Å²	95.2	74%	0.738	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.4	170.5	-82.4	-178	165.9	0	0	113.7	L20 Q26	L20-E24 PolarHBondContact O-N 2.97Å; E24-Q26 VanDerWaalsContact C-N 3.29Å; E24-Q26 PolarHBondContact O-N 3.22Å
25	Q	38.4	Very low	60.8	Low	161 Å²	161	93 Å²	93	75%	0.752	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	34.1	170.8	-75.3	-165.8	-32.3	0	0	113.2	L23 G27	L23-Q25 VanDerWaalsContact C-N 3.31Å; Q25-G27 PolarHBondContact O-N 3.02Å
26	Q	40.5	Very low	62.3	Low	154 Å²	154	90.8 Å²	90.8	72%	0.72	49%	0.486	S	S	*	.	S	Bend	trans	-84.5	98.8	149	-71.5	-170.9	-22.9	0	0	105.7	E24 V28	E24-Q26 VanDerWaalsContact C-N 3.29Å; E24-Q26 PolarHBondContact O-N 3.22Å; Q26-V28 VanDerWaalsContact C-N 3.35Å; Q26-V28 PolarHBondContact O-N 2.75Å
27	G	39.9	Very low	64	Low	59 Å²	59	89 Å²	89	61%	0.608	48%	0.478	S	S	*	.			trans	-51.7	102	173.7	0	0	0	0	0	108.8	Q25 F29	Q25-G27 PolarHBondContact O-N 3.02Å; G27-F29 VanDerWaalsContact C-N 3.32Å; G27-F29 PolarHBondContact O-N 3.48Å
28	V	44.8	Very low	66	Low	123 Å²	123	85.7 Å²	85.7	75%	0.745	46%	0.457	S	S	*	.			trans	-73.7	99.9	169.9	-177.7	0	0	0	0	103.8	Q26 A30	Q26-V28 VanDerWaalsContact C-N 3.35Å; Q26-V28 PolarHBondContact O-N 2.75Å; V28-A30 HydrophobicContact CG1-CB 4.24Å; V28-A30 PolarHBondContact O-N 3.49Å
29	F	59.5	Low	67.9	Low	106 Å²	106	79.8 Å²	79.8	47%	0.465	43%	0.431	S	S	.	.			trans	-61.3	89	167.4	-62.6	-66.7	0	0	0	107.3	G27 F416	G27-F29 VanDerWaalsContact C-N 3.32Å; G27-F29 PolarHBondContact O-N 3.48Å; F29-F416 AromaticContact CD1-CD2 3.89Å; F29-F416 HydrophobicContact CD1-CD2 3.89Å; F29-F416 HydrophobicContact CD1-CE2 4.47Å; F29-F416 AromaticContact CE1-CD2 3.49Å; F29-F416 HydrophobicContact CE1-CD2 3.49Å; F29-F416 VanDerWaalsContact CE1-CD2 3.49Å; F29-F416 AromaticContact CE1-CE2 3.63Å; F29-F416 HydrophobicContact CE1-CE2 3.63Å; F29-F416 HydrophobicContact CZ-CE2 4.38Å
30	A	75.7	Confident	70	Confident	37 Å²	37	76 Å²	76	31%	0.306	42%	0.417	S	S	.	.			trans	-100.5	110.2	-174.6	0	0	0	0	0	108.5	V28 N415	V28-A30 HydrophobicContact CG1-CB 4.24Å; V28-A30 PolarHBondContact O-N 3.49Å; A30-N415 WeakPolarHBondContact O-CB 3.37Å; A30-N415 PolarHBondContact O-ND2 2.89Å
31	L	90.4	Very high	72.1	Confident	10 Å²	10	78 Å²	78	5%	0.052	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	141.2	165.1	-67.5	174.2	0	0	0	109	D372 L373 M395 L412 K413 N414	L31-D372 HydrophobicContact CB-CB 4Å; L31-D372 VanDerWaalsContact O-CG 3.27Å; L31-L373 HydrophobicContact CD1-CB 3.76Å; L31-M395 HydrophobicContact CD1-CE 4.29Å; L31-M395 HydrophobicContact CD1-SD 3.96Å; L31-M395 HydrophobicContact CD2-CE 4.04Å; L31-M395 HydrophobicContact CD2-SD 4.17Å; L31-L412 HydrophobicContact CB-CB 4.34Å; L31-L412 HydrophobicContact CD1-CD1 4.08Å; L31-L412 HydrophobicContact CD2-CB 4.5Å; L31-K413 CarbonylContact C-O 3.52Å; L31-K413 VanDerWaalsContact CA-O 3.28Å; L31-K413 WeakPolarHBondContact CA-O 3.38Å; L31-N414 HydrophobicContact CD2-CB 4.24Å
32	Q	92.9	Very high	74.3	Confident	94 Å²	94	75.5 Å²	75.5	44%	0.439	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.7	178.7	176.7	-178.2	-4.2	0	0	110.6	V34 L412 K413 N415	Q32-V34 HydrophobicContact CG-CG1 4.2Å; Q32-V34 PolarHBondContact O-N 2.8Å; Q32-L412 CarbonylContact O-C 3.42Å; Q32-L412 WeakPolarHBondContact O-CA 3.01Å; Q32-K413 HydrophobicContact CB-CB 4.37Å; Q32-K413 PolarHBondContact N-O 3.36Å; Q32-K413 PolarHBondContact O-N 3.29Å; Q32-N415 WeakPolarHBondContact CB-ND2 3.43Å
33	D	94.9	Very high	76.8	Confident	91 Å²	91	73.7 Å²	73.7	49%	0.487	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	114.9	173.1	-173.9	-11	0	0	0	111.1	T35 L412	D33-T35 WeakPolarHBondContact OD1-CB 3.39Å; D33-T35 PolarHBondContact OD1-N 2.98Å; D33-T35 PolarHBondContact OD1-OG1 2.88Å; D33-L412 HydrophobicContact CB-CD2 3.95Å
34	V	96.5	Very high	79.5	Confident	5 Å²	5	72.1 Å²	72.1	3%	0.03	39%	0.39	C	S	.	.			trans	-115.5	11.9	177.9	-65.9	0	0	0	0	111.9	Q32 A36 E37 L38 I387 A411 K413	Q32-V34 HydrophobicContact CG-CG1 4.2Å; Q32-V34 PolarHBondContact O-N 2.8Å; V34-A36 VanDerWaalsContact C-N 3.32Å; V34-A36 PolarHBondContact O-N 3.19Å; V34-E37 WeakPolarHBondContact O-CB 3.46Å; V34-E37 PolarHBondContact O-N 2.93Å; V34-L38 HydrophobicContact CG2-CD1 3.89Å; V34-L38 HydrophobicContact CG2-CG 4.22Å; V34-L38 WeakPolarHBondContact O-CG 3.41Å; V34-L38 PolarHBondContact O-N 3.11Å; V34-I387 HydrophobicContact CG2-CD1 4.21Å; V34-A411 HydrophobicContact CG2-CB 4.02Å; V34-A411 PolarHBondContact N-O 2.88Å; V34-K413 HydrophobicContact CG1-CB 3.89Å; V34-K413 HydrophobicContact CG2-CB 4.06Å
35	T	96.7	Very high	82.3	Confident	4 Å²	4	64.6 Å²	64.6	3%	0.025	36%	0.355	C	S	.	.	H	α-helix	trans	-53.7	-45.7	-174.6	-54	0	0	0	0	112.9	D33 E37 L38 F39 K43 I409 H410 A411	D33-T35 WeakPolarHBondContact OD1-CB 3.39Å; D33-T35 PolarHBondContact OD1-N 2.98Å; D33-T35 PolarHBondContact OD1-OG1 2.88Å; T35-E37 VanDerWaalsContact C-N 3.33Å; T35-E37 PolarHBondContact O-N 2.82Å; T35-L38 PolarHBondContact O-N 3.42Å; T35-F39 HydrophobicContact CG2-CD2 4.35Å; T35-F39 PolarHBondContact O-N 3.16Å; T35-K43 HydrophobicContact CG2-CB 4.16Å; T35-K43 HydrophobicContact CG2-CD 3.94Å; T35-I409 WeakPolarHBondContact CG2-O 3.45Å; T35-H410 WeakPolarHBondContact OG1-CA 3.35Å; T35-A411 PolarHBondContact OG1-N 3.49Å
36	A	96.4	Very high	85	Confident	68 Å²	68	58.8 Å²	58.8	56%	0.562	33%	0.33	S	S	*	.	H	α-helix	trans	-68.1	-34.9	-177.7	0	0	0	0	0	112.2	V34 G40	V34-A36 VanDerWaalsContact C-N 3.32Å; V34-A36 PolarHBondContact O-N 3.19Å; A36-G40 WeakPolarHBondContact O-CA 3.28Å; A36-G40 PolarHBondContact O-N 2.8Å
37	E	96.6	Very high	87.7	Confident	78 Å²	78	52 Å²	52	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-72.1	-36.2	179.4	-178.1	174.9	-163.4	0	0	111.7	V34 T35 S79 P80 Y81	V34-E37 WeakPolarHBondContact O-CB 3.46Å; V34-E37 PolarHBondContact O-N 2.93Å; T35-E37 VanDerWaalsContact C-N 3.33Å; T35-E37 PolarHBondContact O-N 2.82Å; E37-S79 PolarHBondContact O-OG 2.78Å; E37-P80 VanDerWaalsContact O-CA 3.31Å; E37-P80 WeakPolarHBondContact O-CA 3.43Å; E37-Y81 HydrophobicContact CG-CD2 3.79Å; E37-Y81 HydrophobicContact CG-CE2 3.53Å; E37-Y81 PolarHBondContact O-N 2.85Å; E37-Y81 WeakPolarHBondContact OE1-CE2 3.33Å
38	L	97.1	Very high	90.4	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-78.7	-51.3	179.7	-67.2	-174.8	0	0	0	113	V34 T35 P80 Y81 F82 I387 A411	V34-L38 HydrophobicContact CG2-CD1 3.89Å; V34-L38 HydrophobicContact CG2-CG 4.22Å; V34-L38 WeakPolarHBondContact O-CG 3.41Å; V34-L38 PolarHBondContact O-N 3.11Å; T35-L38 PolarHBondContact O-N 3.42Å; L38-P80 CarbonylContact O-C 3.5Å; L38-P80 WeakPolarHBondContact O-CB 3.22Å; L38-Y81 HydrophobicContact CD2-CD2 4.02Å; L38-Y81 HydrophobicContact CD2-CG 4.23Å; L38-Y81 PolarHBondContact O-N 2.96Å; L38-Y81 VanDerWaalsContact O-N 3.15Å; L38-F82 HydrophobicContact CB-CD2 4.12Å; L38-F82 HydrophobicContact CD1-CE2 4.42Å; L38-F82 HydrophobicContact CD2-CD2 4.27Å; L38-F82 HydrophobicContact CD2-CE2 4.18Å; L38-F82 PolarHBondContact O-N 2.83Å; L38-I387 HydrophobicContact CD1-CD1 3.91Å; L38-I387 HydrophobicContact CD1-CG1 4.19Å; L38-I387 HydrophobicContact CD1-CG2 3.52Å; L38-I387 HydrophobicContact CD2-CG2 3.58Å; L38-I387 HydrophobicContact CG-CG2 4.17Å; L38-A411 HydrophobicContact CD1-CB 3.48Å; L38-A411 VanDerWaalsContact CD1-CB 3.48Å
39	F	96.9	Very high	92.9	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-108.1	-17.1	-169.1	-62	-74.7	0	0	0	113.8	T35 N41 N42 K43 I61 F73 F82 L396 I409 A411	T35-F39 HydrophobicContact CG2-CD2 4.35Å; T35-F39 PolarHBondContact O-N 3.16Å; F39-N41 PolarHBondContact O-N 3.4Å; F39-N41 VanDerWaalsContact O-N 3.15Å; F39-N42 WeakPolarHBondContact O-CB 3.2Å; F39-N42 PolarHBondContact O-N 3.12Å; F39-K43 HydrophobicContact CB-CB 3.78Å; F39-K43 HydrophobicContact CG-CB 4.43Å; F39-I61 HydrophobicContact CE1-CD1 3.96Å; F39-I61 HydrophobicContact CZ-CD1 3.82Å; F39-F73 HydrophobicContact CD1-CD2 4.08Å; F39-F73 AromaticContact CD1-CE2 3.97Å; F39-F73 HydrophobicContact CD1-CE2 3.97Å; F39-F73 HydrophobicContact CE1-CD2 4.36Å; F39-F82 HydrophobicContact CD1-CB 4.15Å; F39-F82 HydrophobicContact CE1-CB 4.08Å; F39-F82 HydrophobicContact CE1-CD2 4.25Å; F39-F82 HydrophobicContact CE1-CG 4.36Å; F39-F82 HydrophobicContact CZ-CD2 4.34Å; F39-L396 HydrophobicContact CE2-CD2 4.21Å; F39-L396 HydrophobicContact CZ-CD2 4.31Å; F39-I409 HydrophobicContact CD2-CG2 4.24Å; F39-I409 HydrophobicContact CE2-CG2 3.66Å; F39-I409 HydrophobicContact CZ-CG2 3.83Å; F39-A411 HydrophobicContact CE2-CB 4.16Å
40	G	95.8	Very high	94.6	Very high	21 Å²	21	43.6 Å²	43.6	22%	0.216	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-119.6	-171.9	0	0	0	0	0	111.8	A36	A36-G40 WeakPolarHBondContact O-CA 3.28Å; A36-G40 PolarHBondContact O-N 2.8Å
41	N	93.8	Very high	95.6	Very high	155 Å²	155	42.4 Å²	42.4	83%	0.829	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-6.6	177.2	-67	-28.1	0	0	0	114	F39 K43	F39-N41 PolarHBondContact O-N 3.4Å; F39-N41 VanDerWaalsContact O-N 3.15Å; N41-K43 VanDerWaalsContact C-N 3.35Å; N41-K43 PolarHBondContact O-N 3.26Å
42	N	95	Very high	95.8	Very high	55 Å²	55	43.9 Å²	43.9	29%	0.294	25%	0.245	S	C	.	.			trans	-95.3	27.2	-174.3	-73.1	-72.5	0	0	0	113.8	F39 Y44 R65 F73 P84	F39-N42 WeakPolarHBondContact O-CB 3.2Å; F39-N42 PolarHBondContact O-N 3.12Å; N42-Y44 VanDerWaalsContact C-N 3.26Å; N42-Y44 PolarHBondContact O-N 2.73Å; N42-R65 PolarHBondContact OD1-NH2 2.87Å; N42-F73 HydrophobicContact CB-CE2 3.72Å; N42-F73 HydrophobicContact CB-CZ 4.05Å; N42-F73 WeakPolarHBondContact O-CE2 3.44Å; N42-F73 WeakPolarHBondContact O-CZ 3.18Å; N42-P84 HydrophobicContact CB-CG 4.47Å
43	K	95.3	Very high	96	Very high	53 Å²	53	39.5 Å²	39.5	23%	0.23	22%	0.224	C	C	.	.			trans	-85.7	30.1	-173.7	63.2	-174.4	179.5	-179.8	0	115.3	T35 F39 N41 M408 I409	T35-K43 HydrophobicContact CG2-CB 4.16Å; T35-K43 HydrophobicContact CG2-CD 3.94Å; F39-K43 HydrophobicContact CB-CB 3.78Å; F39-K43 HydrophobicContact CG-CB 4.43Å; N41-K43 VanDerWaalsContact C-N 3.35Å; N41-K43 PolarHBondContact O-N 3.26Å; K43-M408 HydrophobicContact CD-CE 4.08Å; K43-I409 PolarHBondContact O-N 3.46Å
44	Y	95.6	Very high	96	Very high	79 Å²	79	35.6 Å²	35.6	31%	0.31	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-127.6	137.3	-178.8	-60.6	-80.8	0	0	0	111.2	N42 R65 A401 K404 L407 M408	N42-Y44 VanDerWaalsContact C-N 3.26Å; N42-Y44 PolarHBondContact O-N 2.73Å; Y44-R65 PolarHBondContact O-NE 3.05Å; Y44-A401 HydrophobicContact CE1-CB 4.2Å; Y44-K404 HydrophobicContact CE1-CG 4.44Å; Y44-L407 CarbonylContact C-O 3.54Å; Y44-L407 VanDerWaalsContact CA-O 3.28Å; Y44-L407 WeakPolarHBondContact CA-O 3.13Å; Y44-M408 HydrophobicContact CD1-CB 4.2Å; Y44-M408 HydrophobicContact CE1-CB 4.07Å; Y44-M408 HydrophobicContact CE1-CG 4.29Å
45	G	95.3	Very high	95.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	134.4	177.1	-177.9	0	0	0	0	0	111.8	I64 L407	G45-I64 CarbonylContact C-O 3.59Å; G45-I64 WeakPolarHBondContact CA-O 3.39Å; G45-L407 PolarHBondContact N-O 3Å
46	T	95.8	Very high	95.8	Very high	39 Å²	39	41.3 Å²	41.3	24%	0.239	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118	172.8	-58.8	0	0	0	0	109.2	A48 V63 I64 L398	T46-A48 PolarHBondContact O-N 3.01Å; T46-V63 CarbonylContact O-C 3.5Å; T46-V63 WeakPolarHBondContact O-CA 3.12Å; T46-I64 PolarHBondContact N-O 2.93Å; T46-I64 PolarHBondContact O-N 3.1Å; T46-L398 HydrophobicContact CG2-CD1 4.01Å
47	V	96.6	Very high	95.6	Very high	11 Å²	11	46.8 Å²	46.8	7%	0.067	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	116.2	168.4	175.7	0	0	0	0	107.9	F50 I61 L398 I409	V47-F50 HydrophobicContact CG1-CE1 3.68Å; V47-F50 HydrophobicContact CG1-CZ 3.67Å; V47-I61 HydrophobicContact CB-CG2 4.46Å; V47-I61 HydrophobicContact CG1-CG2 3.78Å; V47-I61 HydrophobicContact CG2-CG2 4.03Å; V47-L398 HydrophobicContact CB-CD1 4.4Å; V47-L398 HydrophobicContact CB-CD2 4.29Å; V47-L398 HydrophobicContact CG2-CD2 3.96Å; V47-I409 HydrophobicContact CG2-CD1 3.9Å; V47-I409 HydrophobicContact CG2-CG1 4.18Å; V47-I409 HydrophobicContact CG2-CG2 4.19Å
48	A	96.1	Very high	95.4	Very high	37 Å²	37	46.4 Å²	46.4	31%	0.306	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-31.6	-170.3	0	0	0	0	0	113.3	T46 F62 I64 V101	T46-A48 PolarHBondContact O-N 3.01Å; A48-F62 PolarHBondContact N-O 3.09Å; A48-I64 HydrophobicContact CB-CD1 3.63Å; A48-I64 HydrophobicContact CB-CG1 3.85Å; A48-V101 HydrophobicContact CB-CB 3.97Å; A48-V101 HydrophobicContact CB-CG2 3.6Å
49	A	97.1	Very high	95.3	Very high	12 Å²	12	48.1 Å²	48.1	10%	0.099	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	167.8	178.4	0	0	0	0	0	111.5	F62 V101 P103	A49-F62 HydrophobicContact CB-CB 4.01Å; A49-F62 HydrophobicContact CB-CD2 4.32Å; A49-F62 HydrophobicContact CB-CG 4.26Å; A49-F62 WeakPolarHBondContact O-CB 3.37Å; A49-F62 PolarHBondContact O-N 2.97Å; A49-V101 HydrophobicContact CB-CB 4.35Å; A49-V101 HydrophobicContact CB-CG1 4.33Å; A49-P103 HydrophobicContact CB-CG 4Å
50	F	96.9	Very high	95.3	Very high	64 Å²	64	48.1 Å²	48.1	28%	0.281	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	148.4	173.2	-54.4	-70.5	0	0	0	109.1	V47 T59 D60 I61 P103 T383 F385 L396	V47-F50 HydrophobicContact CG1-CE1 3.68Å; V47-F50 HydrophobicContact CG1-CZ 3.67Å; F50-T59 HydrophobicContact CB-CG2 3.75Å; F50-D60 WeakPolarHBondContact CA-O 3.36Å; F50-I61 HydrophobicContact CD1-CG1 4.19Å; F50-I61 HydrophobicContact CE1-CG1 4.31Å; F50-I61 HydrophobicContact CE1-CG2 4.35Å; F50-P103 WeakPolarHBondContact O-CG 3.49Å; F50-T383 HydrophobicContact CE2-CG2 4.09Å; F50-T383 HydrophobicContact CZ-CG2 3.92Å; F50-F385 AromaticContact CD1-CD2 3.63Å; F50-F385 HydrophobicContact CD1-CD2 3.63Å; F50-F385 AromaticContact CD1-CE2 3.53Å; F50-F385 HydrophobicContact CD1-CE2 3.53Å; F50-F385 HydrophobicContact CD1-CG 4.45Å; F50-F385 HydrophobicContact CD1-CZ 4.29Å; F50-F385 HydrophobicContact CD2-CD2 4.47Å; F50-F385 AromaticContact CE1-CD2 3.59Å; F50-F385 HydrophobicContact CE1-CD2 3.59Å; F50-F385 AromaticContact CE1-CE2 3.88Å; F50-F385 HydrophobicContact CE1-CE2 3.88Å; F50-F385 AromaticContact CE1-CG 3.99Å; F50-F385 HydrophobicContact CE1-CG 3.99Å; F50-F385 HydrophobicContact CE1-CZ 4.49Å; F50-F385 HydrophobicContact CE2-CD2 4.44Å; F50-F385 HydrophobicContact CG-CD2 4.09Å; F50-F385 HydrophobicContact CG-CE2 4.11Å; F50-F385 HydrophobicContact CZ-CB 4.36Å; F50-F385 HydrophobicContact CZ-CD2 4.02Å; F50-F385 HydrophobicContact CZ-CG 4.29Å; F50-L396 HydrophobicContact CE1-CD1 3.66Å; F50-L396 HydrophobicContact CZ-CD1 3.8Å
51	G	95.4	Very high	95.4	Very high	12 Å²	12	47.1 Å²	47.1	12%	0.124	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173	155.1	173	0	0	0	0	0	112.1	F53 D60	G51-F53 PolarHBondContact O-N 3.23Å; G51-D60 PolarHBondContact N-O 3.37Å; G51-D60 VanDerWaalsContact N-O 3.09Å; G51-D60 WeakPolarHBondContact O-CA 3.38Å; G51-D60 WeakPolarHBondContact O-CB 3.33Å; G51-D60 PolarHBondContact O-N 3.49Å
52	D	95	Very high	95.6	Very high	41 Å²	41	39.7 Å²	39.7	22%	0.219	21%	0.209	C	C	.	.			trans	-81.7	91.8	175.6	178.6	4.6	0	0	0	109.5	N54 S55 D56 K57 M112	D52-N54 PolarHBondContact OD1-OD1 3.19Å; D52-S55 VanDerWaalsContact CG-CA 3.49Å; D52-S55 WeakPolarHBondContact OD1-CA 3.43Å; D52-S55 PolarHBondContact OD1-N 2.81Å; D52-S55 VanDerWaalsContact OD2-CA 3.31Å; D52-S55 WeakPolarHBondContact OD2-CA 3.49Å; D52-D56 PolarHBondContact OD1-N 3.42Å; D52-D56 PolarHBondContact OD2-N 3.03Å; D52-K57 WeakPolarHBondContact OD2-CA 3.39Å; D52-K57 PolarHBondContact OD2-N 3.21Å; D52-M112 WeakPolarHBondContact O-CE 3.49Å
53	F	96.8	Very high	95.8	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	20%	0.195	C	C	.	.	S	Bend	trans	-74.5	-38	-172	178.3	-99.1	0	0	0	111.8	G51 D60 F62 I72 L74 V86 M112 V114 N134 I137	G51-F53 PolarHBondContact O-N 3.23Å; F53-D60 HydrophobicContact CB-CB 4.49Å; F53-D60 VanDerWaalsContact CB-OD2 3.31Å; F53-D60 WeakPolarHBondContact CB-OD2 3.28Å; F53-D60 PolarHBondContact N-OD2 2.74Å; F53-F62 HydrophobicContact CB-CZ 4.11Å; F53-F62 HydrophobicContact CD2-CE1 4.41Å; F53-F62 HydrophobicContact CD2-CZ 4.07Å; F53-F62 HydrophobicContact CG-CZ 4.43Å; F53-I72 HydrophobicContact CB-CG2 4.24Å; F53-I72 HydrophobicContact CD1-CD1 4.34Å; F53-I72 HydrophobicContact CD2-CD1 3.8Å; F53-I72 HydrophobicContact CE1-CD1 4.41Å; F53-I72 HydrophobicContact CE2-CD1 3.89Å; F53-I72 HydrophobicContact CG-CD1 4.06Å; F53-I72 HydrophobicContact CG-CG2 4.34Å; F53-I72 HydrophobicContact CZ-CD1 4.22Å; F53-L74 HydrophobicContact CB-CD2 4.22Å; F53-L74 HydrophobicContact CD1-CD2 4.06Å; F53-V86 HydrophobicContact CD1-CG2 4.32Å; F53-V86 HydrophobicContact CE1-CG1 4.44Å; F53-V86 HydrophobicContact CE1-CG2 3.84Å; F53-V86 HydrophobicContact CZ-CG1 4.5Å; F53-M112 HydrophobicContact CD2-CB 4.13Å; F53-M112 HydrophobicContact CD2-CG 4.16Å; F53-M112 WeakPolarHBondContact CE2-O 3.49Å; F53-V114 HydrophobicContact CE2-CG2 4.22Å; F53-N134 VanDerWaalsContact CD1-O 3.29Å; F53-N134 WeakPolarHBondContact CD1-O 3.46Å; F53-N134 WeakPolarHBondContact CE1-O 3.5Å; F53-I137 HydrophobicContact CE2-CD1 3.97Å; F53-I137 HydrophobicContact CE2-CG1 3.79Å; F53-I137 HydrophobicContact CZ-CD1 4.03Å; F53-I137 HydrophobicContact CZ-CG1 3.47Å; F53-I137 VanDerWaalsContact CZ-CG1 3.47Å
54	N	95.6	Very high	95.8	Very high	10 Å²	10	35.1 Å²	35.1	5%	0.053	19%	0.187	C	C	.	.	S	Bend	trans	-99.8	9.7	-176.8	70.3	-15	0	0	0	114.1	D52 D56 N134	D52-N54 PolarHBondContact OD1-OD1 3.19Å; N54-D56 PolarHBondContact ND2-OD2 3.17Å; N54-D56 PolarHBondContact O-N 3.44Å; N54-D56 PolarHBondContact OD1-N 3.32Å; N54-D56 PolarHBondContact OD1-OD2 3.02Å; N54-N134 WeakPolarHBondContact CA-OD1 3.4Å; N54-N134 PolarHBondContact O-OD1 2.96Å
55	S	94.6	Very high	95.8	Very high	67 Å²	67	33.7 Å²	33.7	47%	0.469	18%	0.181	S	C	.	.	S	Bend	trans	57.9	33.2	178	-49.5	0	0	0	0	113.5	D52	D52-S55 VanDerWaalsContact CG-CA 3.49Å; D52-S55 WeakPolarHBondContact OD1-CA 3.43Å; D52-S55 PolarHBondContact OD1-N 2.81Å; D52-S55 VanDerWaalsContact OD2-CA 3.31Å; D52-S55 WeakPolarHBondContact OD2-CA 3.49Å
56	D	94	Very high	95.7	Very high	61 Å²	61	38.7 Å²	38.7	33%	0.326	20%	0.204	S	C	.	.	S	Bend	trans	-94.7	1.8	179.8	83.4	19.6	0	0	0	114	D52 N54 Q58	D52-D56 PolarHBondContact OD1-N 3.42Å; D52-D56 PolarHBondContact OD2-N 3.03Å; N54-D56 PolarHBondContact ND2-OD2 3.17Å; N54-D56 PolarHBondContact O-N 3.44Å; N54-D56 PolarHBondContact OD1-N 3.32Å; N54-D56 PolarHBondContact OD1-OD2 3.02Å; D56-Q58 VanDerWaalsContact C-N 3.27Å; D56-Q58 VanDerWaalsContact CG-NE2 3.33Å; D56-Q58 VanDerWaalsContact OD1-CB 3.25Å; D56-Q58 WeakPolarHBondContact OD1-CB 3.48Å; D56-Q58 PolarHBondContact OD1-N 2.68Å; D56-Q58 PolarHBondContact OD1-NE2 3.15Å; D56-Q58 PolarHBondContact OD2-NE2 3.05Å
57	K	91.6	Very high	95.4	Very high	183 Å²	183	41.5 Å²	41.5	80%	0.796	22%	0.215	S	C	*	.	S	Bend	trans	71.6	10.1	-179.2	-49.5	178.1	179.3	-178	0	115.1	D52	D52-K57 WeakPolarHBondContact OD2-CA 3.39Å; D52-K57 PolarHBondContact OD2-N 3.21Å
58	Q	93.3	Very high	95.3	Very high	70 Å²	70	41.6 Å²	41.6	33%	0.327	22%	0.216	S	C	.	.	S	Bend	trans	-103.3	141.2	167.4	-59.8	164.1	107.8	0	0	108.8	D56 D60 A75	D56-Q58 VanDerWaalsContact C-N 3.27Å; D56-Q58 VanDerWaalsContact CG-NE2 3.33Å; D56-Q58 VanDerWaalsContact OD1-CB 3.25Å; D56-Q58 WeakPolarHBondContact OD1-CB 3.48Å; D56-Q58 PolarHBondContact OD1-N 2.68Å; D56-Q58 PolarHBondContact OD1-NE2 3.15Å; D56-Q58 PolarHBondContact OD2-NE2 3.05Å; Q58-D60 PolarHBondContact O-N 3.43Å; Q58-A75 HydrophobicContact CB-CB 3.5Å; Q58-A75 HydrophobicContact CG-CB 4.37Å
59	T	95.2	Very high	95.3	Very high	39 Å²	39	41.6 Å²	41.6	24%	0.239	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-75.2	120.7	-179.7	-54.4	0	0	0	0	111.2	F50 F82 F385 E389	F50-T59 HydrophobicContact CB-CG2 3.75Å; T59-F82 WeakPolarHBondContact O-CE1 3.38Å; T59-F385 HydrophobicContact CG2-CE2 3.72Å; T59-F385 HydrophobicContact CG2-CZ 4.28Å; T59-E389 WeakPolarHBondContact CB-OE1 3.42Å; T59-E389 PolarHBondContact N-OE1 3.24Å; T59-E389 PolarHBondContact OG1-OE1 2.83Å
60	D	96.8	Very high	95.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	161.4	175.3	-54.6	-49.8	0	0	0	112.1	F50 G51 F53 Q58 I72 F73 L74 A75	F50-D60 WeakPolarHBondContact CA-O 3.36Å; G51-D60 PolarHBondContact N-O 3.37Å; G51-D60 VanDerWaalsContact N-O 3.09Å; G51-D60 WeakPolarHBondContact O-CA 3.38Å; G51-D60 WeakPolarHBondContact O-CB 3.33Å; G51-D60 PolarHBondContact O-N 3.49Å; F53-D60 HydrophobicContact CB-CB 4.49Å; F53-D60 VanDerWaalsContact CB-OD2 3.31Å; F53-D60 WeakPolarHBondContact CB-OD2 3.28Å; F53-D60 PolarHBondContact N-OD2 2.74Å; Q58-D60 PolarHBondContact O-N 3.43Å; D60-I72 HydrophobicContact CB-CG2 4.34Å; D60-F73 WeakPolarHBondContact CB-O 3.27Å; D60-L74 HydrophobicContact CB-CD2 4.19Å; D60-L74 WeakPolarHBondContact OD1-CA 3.41Å; D60-L74 VanDerWaalsContact OD2-CD2 3.29Å; D60-L74 WeakPolarHBondContact OD2-CD2 3.18Å; D60-A75 PolarHBondContact OD1-N 3.01Å
61	I	97.9	Very high	95.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.4	-176.6	-53.6	178.6	0	0	0	110.9	F39 V47 F50 V63 F73 F82 F385 L396	F39-I61 HydrophobicContact CE1-CD1 3.96Å; F39-I61 HydrophobicContact CZ-CD1 3.82Å; V47-I61 HydrophobicContact CB-CG2 4.46Å; V47-I61 HydrophobicContact CG1-CG2 3.78Å; V47-I61 HydrophobicContact CG2-CG2 4.03Å; F50-I61 HydrophobicContact CD1-CG1 4.19Å; F50-I61 HydrophobicContact CE1-CG1 4.31Å; F50-I61 HydrophobicContact CE1-CG2 4.35Å; I61-V63 HydrophobicContact CG2-CG2 3.78Å; I61-F73 HydrophobicContact CB-CB 4.34Å; I61-F73 PolarHBondContact N-O 2.95Å; I61-F73 PolarHBondContact O-N 2.94Å; I61-F82 HydrophobicContact CD1-CD1 3.85Å; I61-F82 HydrophobicContact CD1-CD2 3.86Å; I61-F82 HydrophobicContact CD1-CE1 3.74Å; I61-F82 HydrophobicContact CD1-CE2 3.75Å; I61-F82 HydrophobicContact CD1-CG 3.91Å; I61-F82 HydrophobicContact CD1-CZ 3.7Å; I61-F82 HydrophobicContact CG1-CD1 3.95Å; I61-F82 HydrophobicContact CG1-CE1 3.74Å; I61-F82 HydrophobicContact CG1-CG 4.49Å; I61-F82 HydrophobicContact CG1-CZ 4.1Å; I61-F385 HydrophobicContact CD1-CE1 4.1Å; I61-F385 HydrophobicContact CD1-CZ 4.32Å; I61-F385 HydrophobicContact CG1-CZ 4.26Å; I61-L396 HydrophobicContact CD1-CD1 4.43Å
62	F	98.2	Very high	95.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	114.2	176.8	-68.3	-107.8	0	0	0	109.5	A48 A49 F53 L70 I72 V101 P103 V114	A48-F62 PolarHBondContact N-O 3.09Å; A49-F62 HydrophobicContact CB-CB 4.01Å; A49-F62 HydrophobicContact CB-CD2 4.32Å; A49-F62 HydrophobicContact CB-CG 4.26Å; A49-F62 WeakPolarHBondContact O-CB 3.37Å; A49-F62 PolarHBondContact O-N 2.97Å; F53-F62 HydrophobicContact CB-CZ 4.11Å; F53-F62 HydrophobicContact CD2-CE1 4.41Å; F53-F62 HydrophobicContact CD2-CZ 4.07Å; F53-F62 HydrophobicContact CG-CZ 4.43Å; F62-L70 HydrophobicContact CB-CD1 4.02Å; F62-L70 HydrophobicContact CD1-CD1 4.3Å; F62-L70 HydrophobicContact CD1-CD2 4.16Å; F62-I72 HydrophobicContact CD1-CD1 3.94Å; F62-I72 HydrophobicContact CD1-CG1 3.76Å; F62-I72 HydrophobicContact CD1-CG2 4.4Å; F62-I72 HydrophobicContact CE1-CD1 3.42Å; F62-I72 VanDerWaalsContact CE1-CD1 3.42Å; F62-I72 HydrophobicContact CE1-CG1 3.76Å; F62-I72 HydrophobicContact CE1-CG2 4.19Å; F62-I72 HydrophobicContact CE2-CG2 4.3Å; F62-I72 HydrophobicContact CZ-CD1 4.1Å; F62-I72 HydrophobicContact CZ-CG2 4.13Å; F62-V101 HydrophobicContact CB-CG1 4.15Å; F62-V101 HydrophobicContact CD1-CG1 3.89Å; F62-V101 HydrophobicContact CG-CG1 4.28Å; F62-P103 HydrophobicContact CE1-CB 4.3Å; F62-P103 HydrophobicContact CE2-CB 4.1Å; F62-P103 HydrophobicContact CE2-CG 4.27Å; F62-P103 HydrophobicContact CZ-CB 3.83Å; F62-P103 HydrophobicContact CZ-CG 4.46Å; F62-V114 HydrophobicContact CE1-CG1 4.4Å; F62-V114 HydrophobicContact CE1-CG2 3.74Å
63	V	97.9	Very high	95.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122	-172.9	-176.5	0	0	0	0	111.1	T46 I61 R65 V71 F73 I409	T46-V63 CarbonylContact O-C 3.5Å; T46-V63 WeakPolarHBondContact O-CA 3.12Å; I61-V63 HydrophobicContact CG2-CG2 3.78Å; V63-R65 HydrophobicContact CG1-CG 4.27Å; V63-V71 PolarHBondContact N-O 2.83Å; V63-V71 PolarHBondContact O-N 3.25Å; V63-F73 HydrophobicContact CB-CD1 4.06Å; V63-F73 HydrophobicContact CB-CE1 3.69Å; V63-F73 HydrophobicContact CB-CZ 4.42Å; V63-F73 HydrophobicContact CG1-CE1 4.24Å; V63-F73 HydrophobicContact CG2-CD1 3.68Å; V63-F73 HydrophobicContact CG2-CE1 3.62Å; V63-F73 HydrophobicContact CG2-CG 4.29Å; V63-F73 HydrophobicContact CG2-CZ 4.15Å; V63-I409 HydrophobicContact CG1-CD1 4.25Å; V63-I409 HydrophobicContact CG2-CD1 4.42Å
64	I	96.8	Very high	95.6	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.062	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	127	170.4	-59.3	165.5	0	0	0	109.1	G45 T46 A48 E69 I98 V101	G45-I64 CarbonylContact C-O 3.59Å; G45-I64 WeakPolarHBondContact CA-O 3.39Å; T46-I64 PolarHBondContact N-O 2.93Å; T46-I64 PolarHBondContact O-N 3.1Å; A48-I64 HydrophobicContact CB-CD1 3.63Å; A48-I64 HydrophobicContact CB-CG1 3.85Å; I64-E69 CarbonylContact C-O 3.54Å; I64-E69 VanDerWaalsContact CA-O 3.26Å; I64-E69 WeakPolarHBondContact CA-O 3.44Å; I64-I98 HydrophobicContact CD1-CB 4.02Å; I64-I98 HydrophobicContact CD1-CG2 3.53Å; I64-I98 HydrophobicContact CG1-CB 4.32Å; I64-I98 HydrophobicContact CG1-CD1 4.47Å; I64-I98 HydrophobicContact CG1-CG2 3.97Å; I64-I98 HydrophobicContact CG2-CB 4.18Å; I64-I98 HydrophobicContact CG2-CD1 4.29Å; I64-V101 HydrophobicContact CD1-CG2 3.96Å; I64-V101 HydrophobicContact CG1-CG2 3.99Å
65	R	95.1	Very high	95.6	Very high	49 Å²	49	36.6 Å²	36.6	19%	0.185	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	147.3	174.7	-68.1	-176.7	172.8	178.9	-5.9	111	N42 Y44 V63 Q67 S68 E69 V71 F73	N42-R65 PolarHBondContact OD1-NH2 2.87Å; Y44-R65 PolarHBondContact O-NE 3.05Å; V63-R65 HydrophobicContact CG1-CG 4.27Å; R65-Q67 PolarHBondContact O-N 2.92Å; R65-S68 PolarHBondContact O-N 3.26Å; R65-E69 HydrophobicContact CB-CB 4.45Å; R65-E69 PolarHBondContact N-O 3.1Å; R65-E69 PolarHBondContact O-N 3.5Å; R65-V71 HydrophobicContact CG-CG2 4.43Å; R65-F73 VanDerWaalsContact NH2-CZ 3.26Å
66	E	92	Very high	95.6	Very high	104 Å²	104	35.6 Å²	35.6	49%	0.486	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	30.5	-178	-55.6	-177.1	170.3	0	0	112.6	S68 K90 D406	E66-S68 PolarHBondContact O-N 3.44Å; E66-S68 PolarHBondContact O-OG 2.98Å; E66-K90 IonicContact OE2-NZ 2.85Å; E66-K90 PolarHBondContact OE2-NZ 2.68Å; E66-D406 WeakPolarHBondContact CA-OD1 3.47Å; E66-D406 PolarHBondContact N-OD1 2.75Å; E66-D406 PolarHBondContact N-OD2 3.35Å; E66-D406 VanDerWaalsContact N-OD2 3.16Å
67	Q	91.4	Very high	95.4	Very high	99 Å²	99	37.2 Å²	37.2	46%	0.463	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	-0.4	-174.2	-53.6	177	35.4	0	0	116.6	R65 K97 I98	R65-Q67 PolarHBondContact O-N 2.92Å; Q67-K97 HydrophobicContact CB-CG 4.29Å; Q67-K97 CarbonylContact O-C 3.53Å; Q67-K97 WeakPolarHBondContact O-CA 3.38Å; Q67-I98 PolarHBondContact O-N 2.91Å
68	S	94.2	Very high	95.5	Very high	13 Å²	13	35.5 Å²	35.5	9%	0.091	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.4	1.8	-165.7	58.7	0	0	0	0	114.3	R65 E66 K90 E96	R65-S68 PolarHBondContact O-N 3.26Å; E66-S68 PolarHBondContact O-N 3.44Å; E66-S68 PolarHBondContact O-OG 2.98Å; S68-K90 VanDerWaalsContact O-CA 3.25Å; S68-K90 WeakPolarHBondContact O-CA 3.48Å; S68-E96 WeakPolarHBondContact CB-O 3.47Å
69	E	95.6	Very high	95.5	Very high	36 Å²	36	35.5 Å²	35.5	17%	0.168	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134	175.5	-178.1	174.8	-130	0	0	109	I64 R65 V71 N87	I64-E69 CarbonylContact C-O 3.54Å; I64-E69 VanDerWaalsContact CA-O 3.26Å; I64-E69 WeakPolarHBondContact CA-O 3.44Å; R65-E69 HydrophobicContact CB-CB 4.45Å; R65-E69 PolarHBondContact N-O 3.1Å; R65-E69 PolarHBondContact O-N 3.5Å; E69-V71 HydrophobicContact CG-CG2 4.04Å; E69-N87 WeakPolarHBondContact CG-OD1 3.38Å; E69-N87 PolarHBondContact OE1-ND2 2.9Å; E69-N87 PolarHBondContact OE1-OD1 3.33Å
70	L	97.3	Very high	95.5	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	125.2	170.1	169.9	65.4	0	0	0	109	F62 N87 I88 I98 V101 V114 L116	F62-L70 HydrophobicContact CB-CD1 4.02Å; F62-L70 HydrophobicContact CD1-CD1 4.3Å; F62-L70 HydrophobicContact CD1-CD2 4.16Å; L70-N87 CarbonylContact O-C 3.6Å; L70-N87 WeakPolarHBondContact O-CA 3.49Å; L70-N87 PolarHBondContact O-OD1 3.12Å; L70-N87 VanDerWaalsContact O-OD1 3.12Å; L70-I88 HydrophobicContact CB-CB 4.29Å; L70-I88 HydrophobicContact CD2-CD1 4.18Å; L70-I88 PolarHBondContact N-O 2.97Å; L70-I88 VanDerWaalsContact N-O 3.08Å; L70-I88 PolarHBondContact O-N 2.85Å; L70-I98 HydrophobicContact CB-CD1 4.1Å; L70-V101 HydrophobicContact CD1-CG1 4.36Å; L70-V101 HydrophobicContact CD1-CG2 4.17Å; L70-V101 HydrophobicContact CD2-CG1 3.99Å; L70-V114 HydrophobicContact CD2-CG1 3.79Å; L70-L116 HydrophobicContact CB-CD1 4.47Å; L70-L116 HydrophobicContact CD2-CD1 4.2Å; L70-L116 HydrophobicContact CD2-CD2 3.81Å; L70-L116 HydrophobicContact CD2-CG 4.4Å
71	V	97.4	Very high	95.5	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.036	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.4	173	-174.5	0	0	0	0	109.3	V63 R65 E69 F73 P84 V86	V63-V71 PolarHBondContact N-O 2.83Å; V63-V71 PolarHBondContact O-N 3.25Å; R65-V71 HydrophobicContact CG-CG2 4.43Å; E69-V71 HydrophobicContact CG-CG2 4.04Å; V71-F73 HydrophobicContact CB-CD1 4.43Å; V71-F73 HydrophobicContact CB-CE1 4.05Å; V71-F73 HydrophobicContact CG1-CD1 3.95Å; V71-F73 HydrophobicContact CG1-CE1 3.73Å; V71-P84 HydrophobicContact CG1-CB 3.49Å; V71-P84 VanDerWaalsContact CG1-CB 3.49Å; V71-V86 CarbonylContact C-O 3.54Å; V71-V86 WeakPolarHBondContact CA-O 3.37Å
72	I	97.7	Very high	95.4	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.2	175.3	-46.5	177.6	0	0	0	108.3	F53 D60 F62 L74 K85 V86 V114 I137	F53-I72 HydrophobicContact CB-CG2 4.24Å; F53-I72 HydrophobicContact CD1-CD1 4.34Å; F53-I72 HydrophobicContact CD2-CD1 3.8Å; F53-I72 HydrophobicContact CE1-CD1 4.41Å; F53-I72 HydrophobicContact CE2-CD1 3.89Å; F53-I72 HydrophobicContact CG-CD1 4.06Å; F53-I72 HydrophobicContact CG-CG2 4.34Å; F53-I72 HydrophobicContact CZ-CD1 4.22Å; D60-I72 HydrophobicContact CB-CG2 4.34Å; F62-I72 HydrophobicContact CD1-CD1 3.94Å; F62-I72 HydrophobicContact CD1-CG1 3.76Å; F62-I72 HydrophobicContact CD1-CG2 4.4Å; F62-I72 HydrophobicContact CE1-CD1 3.42Å; F62-I72 VanDerWaalsContact CE1-CD1 3.42Å; F62-I72 HydrophobicContact CE1-CG1 3.76Å; F62-I72 HydrophobicContact CE1-CG2 4.19Å; F62-I72 HydrophobicContact CE2-CG2 4.3Å; F62-I72 HydrophobicContact CZ-CD1 4.1Å; F62-I72 HydrophobicContact CZ-CG2 4.13Å; I72-L74 HydrophobicContact CG2-CD2 4.04Å; I72-K85 PolarHBondContact O-N 3Å; I72-V86 HydrophobicContact CB-CB 4.05Å; I72-V86 HydrophobicContact CD1-CB 4.08Å; I72-V86 HydrophobicContact CD1-CG1 4.12Å; I72-V86 HydrophobicContact CG1-CB 4.22Å; I72-V86 PolarHBondContact N-O 2.77Å; I72-V86 PolarHBondContact O-N 3.23Å; I72-V114 HydrophobicContact CD1-CG2 4.35Å; I72-I137 HydrophobicContact CD1-CD1 3.75Å
73	F	97.8	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	109.8	177.7	-74.9	52.7	0	0	0	107.9	F39 N42 D60 I61 V63 R65 V71 F82 K83 P84	F39-F73 HydrophobicContact CD1-CD2 4.08Å; F39-F73 AromaticContact CD1-CE2 3.97Å; F39-F73 HydrophobicContact CD1-CE2 3.97Å; F39-F73 HydrophobicContact CE1-CD2 4.36Å; N42-F73 HydrophobicContact CB-CE2 3.72Å; N42-F73 HydrophobicContact CB-CZ 4.05Å; N42-F73 WeakPolarHBondContact O-CE2 3.44Å; N42-F73 WeakPolarHBondContact O-CZ 3.18Å; D60-F73 WeakPolarHBondContact CB-O 3.27Å; I61-F73 HydrophobicContact CB-CB 4.34Å; I61-F73 PolarHBondContact N-O 2.95Å; I61-F73 PolarHBondContact O-N 2.94Å; V63-F73 HydrophobicContact CB-CD1 4.06Å; V63-F73 HydrophobicContact CB-CE1 3.69Å; V63-F73 HydrophobicContact CB-CZ 4.42Å; V63-F73 HydrophobicContact CG1-CE1 4.24Å; V63-F73 HydrophobicContact CG2-CD1 3.68Å; V63-F73 HydrophobicContact CG2-CE1 3.62Å; V63-F73 HydrophobicContact CG2-CG 4.29Å; V63-F73 HydrophobicContact CG2-CZ 4.15Å; R65-F73 VanDerWaalsContact NH2-CZ 3.26Å; V71-F73 HydrophobicContact CB-CD1 4.43Å; V71-F73 HydrophobicContact CB-CE1 4.05Å; V71-F73 HydrophobicContact CG1-CD1 3.95Å; V71-F73 HydrophobicContact CG1-CE1 3.73Å; F73-F82 HydrophobicContact CB-CB 4.11Å; F73-F82 HydrophobicContact CD2-CB 4.02Å; F73-K83 CarbonylContact C-O 3.39Å; F73-K83 VanDerWaalsContact CA-O 3.27Å; F73-K83 WeakPolarHBondContact CA-O 3.38Å; F73-P84 HydrophobicContact CD1-CB 4.15Å; F73-P84 HydrophobicContact CE1-CB 4.03Å; F73-P84 HydrophobicContact CG-CB 4.45Å; F73-P84 HydrophobicContact CZ-CB 4.27Å
74	L	97	Very high	95.3	Very high	14 Å²	14	44.2 Å²	44.2	7%	0.073	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	138.2	177.2	-55.8	-176.9	0	0	0	110.1	F53 D60 I72 K83 K85	F53-L74 HydrophobicContact CB-CD2 4.22Å; F53-L74 HydrophobicContact CD1-CD2 4.06Å; D60-L74 HydrophobicContact CB-CD2 4.19Å; D60-L74 WeakPolarHBondContact OD1-CA 3.41Å; D60-L74 VanDerWaalsContact OD2-CD2 3.29Å; D60-L74 WeakPolarHBondContact OD2-CD2 3.18Å; I72-L74 HydrophobicContact CG2-CD2 4.04Å; L74-K83 PolarHBondContact N-O 2.91Å; L74-K83 PolarHBondContact O-N 3.02Å; L74-K85 HydrophobicContact CB-CG 4.28Å; L74-K85 HydrophobicContact CD1-CB 3.85Å; L74-K85 HydrophobicContact CD1-CG 3.95Å; L74-K85 HydrophobicContact CG-CB 3.93Å; L74-K85 HydrophobicContact CG-CG 4.04Å
75	A	95.8	Very high	95.2	Very high	12 Å²	12	50.1 Å²	50.1	10%	0.099	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	145.2	169.1	0	0	0	0	0	110.4	Q58 D60 Y81 F82	Q58-A75 HydrophobicContact CB-CB 3.5Å; Q58-A75 HydrophobicContact CG-CB 4.37Å; D60-A75 PolarHBondContact OD1-N 3.01Å; A75-Y81 CarbonylContact C-O 3.48Å; A75-Y81 WeakPolarHBondContact CA-O 3.28Å; A75-F82 HydrophobicContact CB-CD1 4.38Å; A75-F82 HydrophobicContact CB-CE1 3.95Å
76	D	93.9	Very high	95.2	Very high	47 Å²	47	48.4 Å²	48.4	25%	0.251	25%	0.251	S	S	.	.			trans	-150.3	137.6	-176.2	-168.8	-59.1	0	0	0	110.3	K78 Y81 K83	D76-K78 PolarHBondContact O-N 2.79Å; D76-K78 PolarHBondContact OD1-N 2.94Å; D76-Y81 PolarHBondContact N-O 2.88Å; D76-Y81 WeakPolarHBondContact O-CD1 3.35Å; D76-K83 HydrophobicContact CB-CD 4.04Å; D76-K83 HydrophobicContact CB-CG 4.47Å; D76-K83 IonicContact OD1-NZ 2.7Å; D76-K83 PolarHBondContact OD1-NZ 3.19Å; D76-K83 WeakPolarHBondContact OD2-CD 3.41Å; D76-K83 WeakPolarHBondContact OD2-CE 3.26Å; D76-K83 IonicContact OD2-NZ 2.7Å; D76-K83 PolarHBondContact OD2-NZ 2.94Å
77	S	90.9	Very high	95.4	Very high	94 Å²	94	46.5 Å²	46.5	66%	0.657	24%	0.244	S	C	*	.	S	Bend	trans	-58.3	-9.2	176.7	62.1	0	0	0	0	116.6
78	K	93.2	Very high	95.5	Very high	148 Å²	148	41.8 Å²	41.8	64%	0.643	22%	0.222	S	C	*	.	S	Bend	trans	-127.6	129.5	-177.1	-63.6	178.9	-176	174.8	0	112.1	D76 P80 K83	D76-K78 PolarHBondContact O-N 2.79Å; D76-K78 PolarHBondContact OD1-N 2.94Å; K78-P80 CarbonylContact O-C 3.36Å; K78-K83 WeakPolarHBondContact O-CE 3.19Å; K78-K83 PolarHBondContact O-NZ 2.86Å
79	S	93.3	Very high	95.6	Very high	70 Å²	70	43.5 Å²	43.5	49%	0.49	23%	0.232	S	C	.	.	S	Bend	trans	-50.8	135.2	174	-175.2	0	0	0	0	113	E37	E37-S79 PolarHBondContact O-OG 2.78Å
80	P	95.8	Very high	95.4	Very high	48 Å²	48	44.6 Å²	44.6	31%	0.312	24%	0.236	S	C	.	.	S	Bend	cis	-65.7	130.5	-5.6	27.3	-33.6	0	0	0	111.9	E37 L38 K78 F82 K83	E37-P80 VanDerWaalsContact O-CA 3.31Å; E37-P80 WeakPolarHBondContact O-CA 3.43Å; L38-P80 CarbonylContact O-C 3.5Å; L38-P80 WeakPolarHBondContact O-CB 3.22Å; K78-P80 CarbonylContact O-C 3.36Å; P80-F82 PolarHBondContact O-N 3.35Å; P80-K83 HydrophobicContact CG-CG 4.44Å; P80-K83 WeakPolarHBondContact O-CE 3.33Å; P80-K83 WeakPolarHBondContact O-CG 3.23Å
81	Y	96	Very high	95.2	Very high	77 Å²	77	49.5 Å²	49.5	30%	0.302	26%	0.263	S	S	.	.	S	Bend	trans	-67.8	-22.7	-172	-71.8	-83.8	0	0	0	113.1	E37 L38 A75 D76	E37-Y81 HydrophobicContact CG-CD2 3.79Å; E37-Y81 HydrophobicContact CG-CE2 3.53Å; E37-Y81 PolarHBondContact O-N 2.85Å; E37-Y81 WeakPolarHBondContact OE1-CE2 3.33Å; L38-Y81 HydrophobicContact CD2-CD2 4.02Å; L38-Y81 HydrophobicContact CD2-CG 4.23Å; L38-Y81 PolarHBondContact O-N 2.96Å; L38-Y81 VanDerWaalsContact O-N 3.15Å; A75-Y81 CarbonylContact C-O 3.48Å; A75-Y81 WeakPolarHBondContact CA-O 3.28Å; D76-Y81 PolarHBondContact N-O 2.88Å; D76-Y81 WeakPolarHBondContact O-CD1 3.35Å
82	F	97.1	Very high	94.8	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.035	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	117.8	172.7	-72	-70.2	0	0	0	110.5	L38 F39 T59 I61 F73 A75 P80 F385	L38-F82 HydrophobicContact CB-CD2 4.12Å; L38-F82 HydrophobicContact CD1-CE2 4.42Å; L38-F82 HydrophobicContact CD2-CD2 4.27Å; L38-F82 HydrophobicContact CD2-CE2 4.18Å; L38-F82 PolarHBondContact O-N 2.83Å; F39-F82 HydrophobicContact CD1-CB 4.15Å; F39-F82 HydrophobicContact CE1-CB 4.08Å; F39-F82 HydrophobicContact CE1-CD2 4.25Å; F39-F82 HydrophobicContact CE1-CG 4.36Å; F39-F82 HydrophobicContact CZ-CD2 4.34Å; T59-F82 WeakPolarHBondContact O-CE1 3.38Å; I61-F82 HydrophobicContact CD1-CD1 3.85Å; I61-F82 HydrophobicContact CD1-CD2 3.86Å; I61-F82 HydrophobicContact CD1-CE1 3.74Å; I61-F82 HydrophobicContact CD1-CE2 3.75Å; I61-F82 HydrophobicContact CD1-CG 3.91Å; I61-F82 HydrophobicContact CD1-CZ 3.7Å; I61-F82 HydrophobicContact CG1-CD1 3.95Å; I61-F82 HydrophobicContact CG1-CE1 3.74Å; I61-F82 HydrophobicContact CG1-CG 4.49Å; I61-F82 HydrophobicContact CG1-CZ 4.1Å; F73-F82 HydrophobicContact CB-CB 4.11Å; F73-F82 HydrophobicContact CD2-CB 4.02Å; A75-F82 HydrophobicContact CB-CD1 4.38Å; A75-F82 HydrophobicContact CB-CE1 3.95Å; P80-F82 PolarHBondContact O-N 3.35Å; F82-F385 HydrophobicContact CE2-CE1 4.2Å; F82-F385 AromaticContact CZ-CE1 3.82Å; F82-F385 HydrophobicContact CZ-CE1 3.82Å; F82-F385 AromaticContact CZ-CZ 3.99Å; F82-F385 HydrophobicContact CZ-CZ 3.99Å
83	K	96.5	Very high	94.5	Very high	42 Å²	42	51.3 Å²	51.3	18%	0.183	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.3	-175.4	-64.1	177.8	-167.4	166.3	0	110.7	F73 L74 D76 K78 P80 K85	F73-K83 CarbonylContact C-O 3.39Å; F73-K83 VanDerWaalsContact CA-O 3.27Å; F73-K83 WeakPolarHBondContact CA-O 3.38Å; L74-K83 PolarHBondContact N-O 2.91Å; L74-K83 PolarHBondContact O-N 3.02Å; D76-K83 HydrophobicContact CB-CD 4.04Å; D76-K83 HydrophobicContact CB-CG 4.47Å; D76-K83 IonicContact OD1-NZ 2.7Å; D76-K83 PolarHBondContact OD1-NZ 3.19Å; D76-K83 WeakPolarHBondContact OD2-CD 3.41Å; D76-K83 WeakPolarHBondContact OD2-CE 3.26Å; D76-K83 IonicContact OD2-NZ 2.7Å; D76-K83 PolarHBondContact OD2-NZ 2.94Å; K78-K83 WeakPolarHBondContact O-CE 3.19Å; K78-K83 PolarHBondContact O-NZ 2.86Å; P80-K83 HydrophobicContact CG-CG 4.44Å; P80-K83 WeakPolarHBondContact O-CE 3.33Å; P80-K83 WeakPolarHBondContact O-CG 3.23Å; K83-K85 HydrophobicContact CB-CG 4.45Å; K83-K85 WeakPolarHBondContact O-CG 3.38Å; K83-K85 PolarHBondContact O-N 3.21Å
84	P	96.6	Very high	94.1	Very high	46 Å²	46	58.3 Å²	58.3	30%	0.299	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	120	174.7	28.1	-34.1	0	0	0	109.8	N42 V71 F73	N42-P84 HydrophobicContact CB-CG 4.47Å; V71-P84 HydrophobicContact CG1-CB 3.49Å; V71-P84 VanDerWaalsContact CG1-CB 3.49Å; F73-P84 HydrophobicContact CD1-CB 4.15Å; F73-P84 HydrophobicContact CE1-CB 4.03Å; F73-P84 HydrophobicContact CG-CB 4.45Å; F73-P84 HydrophobicContact CZ-CB 4.27Å
85	K	95.4	Very high	93.8	Very high	137 Å²	137	64.8 Å²	64.8	60%	0.596	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	-43.4	-174.1	-69.9	-70	-173.6	172.8	0	113.7	I72 L74 K83	I72-K85 PolarHBondContact O-N 3Å; L74-K85 HydrophobicContact CB-CG 4.28Å; L74-K85 HydrophobicContact CD1-CB 3.85Å; L74-K85 HydrophobicContact CD1-CG 3.95Å; L74-K85 HydrophobicContact CG-CB 3.93Å; L74-K85 HydrophobicContact CG-CG 4.04Å; K83-K85 HydrophobicContact CB-CG 4.45Å; K83-K85 WeakPolarHBondContact O-CG 3.38Å; K83-K85 PolarHBondContact O-N 3.21Å
86	V	94.8	Very high	93.7	Very high	12 Å²	12	65.9 Å²	65.9	7%	0.073	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	140.2	-176	-172.4	0	0	0	0	108.9	F53 V71 I72 H135 I137	F53-V86 HydrophobicContact CD1-CG2 4.32Å; F53-V86 HydrophobicContact CE1-CG1 4.44Å; F53-V86 HydrophobicContact CE1-CG2 3.84Å; F53-V86 HydrophobicContact CZ-CG1 4.5Å; V71-V86 CarbonylContact C-O 3.54Å; V71-V86 WeakPolarHBondContact CA-O 3.37Å; I72-V86 HydrophobicContact CB-CB 4.05Å; I72-V86 HydrophobicContact CD1-CB 4.08Å; I72-V86 HydrophobicContact CD1-CG1 4.12Å; I72-V86 HydrophobicContact CG1-CB 4.22Å; I72-V86 PolarHBondContact N-O 2.77Å; I72-V86 PolarHBondContact O-N 3.23Å; V86-H135 WeakPolarHBondContact CG2-O 3.33Å; V86-I137 HydrophobicContact CG1-CB 4.2Å; V86-I137 HydrophobicContact CG1-CD1 3.92Å; V86-I137 HydrophobicContact CG1-CG1 3.86Å
87	N	94.9	Very high	93.7	Very high	64 Å²	64	67.1 Å²	67.1	34%	0.342	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	129.6	-173.7	-175.9	-0.8	0	0	0	111.9	E69 L70 T89	E69-N87 WeakPolarHBondContact CG-OD1 3.38Å; E69-N87 PolarHBondContact OE1-ND2 2.9Å; E69-N87 PolarHBondContact OE1-OD1 3.33Å; L70-N87 CarbonylContact O-C 3.6Å; L70-N87 WeakPolarHBondContact O-CA 3.49Å; L70-N87 PolarHBondContact O-OD1 3.12Å; L70-N87 VanDerWaalsContact O-OD1 3.12Å; N87-T89 PolarHBondContact OD1-N 2.86Å
88	I	95.3	Very high	93.9	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	103.7	163	-66.2	168.3	0	0	0	107.9	L70 M92 L93 L116 F130 I137	L70-I88 HydrophobicContact CB-CB 4.29Å; L70-I88 HydrophobicContact CD2-CD1 4.18Å; L70-I88 PolarHBondContact N-O 2.97Å; L70-I88 VanDerWaalsContact N-O 3.08Å; L70-I88 PolarHBondContact O-N 2.85Å; I88-M92 HydrophobicContact CG2-CE 3.92Å; I88-L93 HydrophobicContact CG2-CD1 3.89Å; I88-L93 HydrophobicContact CG2-CD2 4.14Å; I88-L93 HydrophobicContact CG2-CG 3.89Å; I88-L116 HydrophobicContact CD1-CD1 3.78Å; I88-L116 HydrophobicContact CG2-CD1 4.1Å; I88-F130 HydrophobicContact CD1-CB 4.01Å; I88-F130 HydrophobicContact CD1-CD1 3.87Å; I88-F130 HydrophobicContact CD1-CD2 3.71Å; I88-F130 HydrophobicContact CD1-CE1 4.2Å; I88-F130 HydrophobicContact CD1-CE2 4.06Å; I88-F130 HydrophobicContact CD1-CG 3.59Å; I88-F130 HydrophobicContact CD1-CZ 4.26Å; I88-F130 HydrophobicContact CG1-CD1 4.3Å; I88-F130 HydrophobicContact CG1-CE1 4.37Å; I88-F130 HydrophobicContact CG1-CG 4.49Å; I88-F130 HydrophobicContact CG2-CE1 4.13Å; I88-F130 HydrophobicContact CG2-CE2 4.24Å; I88-F130 HydrophobicContact CG2-CZ 3.77Å; I88-I137 HydrophobicContact CD1-CD1 3.87Å; I88-I137 HydrophobicContact CD1-CG2 4.31Å; I88-I137 HydrophobicContact CG1-CD1 4.28Å; I88-I137 HydrophobicContact CG1-CG2 4.38Å
89	T	94.4	Very high	93.9	Very high	49 Å²	49	57.3 Å²	57.3	30%	0.301	28%	0.28	S	S	.	.			trans	-70.4	153	-173.3	67.9	0	0	0	0	113.2	N87 D91 M92 L93	N87-T89 PolarHBondContact OD1-N 2.86Å; T89-D91 PolarHBondContact O-N 3.49Å; T89-D91 VanDerWaalsContact O-N 3.17Å; T89-M92 WeakPolarHBondContact O-CB 3.34Å; T89-M92 PolarHBondContact O-N 3.43Å; T89-M92 WeakPolarHBondContact OG1-CG 3.42Å; T89-L93 PolarHBondContact O-N 2.91Å
90	K	93.1	Very high	94	Very high	58 Å²	58	55.3 Å²	55.3	25%	0.252	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-33.9	175.8	61.6	-174.1	161.9	-161.1	0	115	E66 S68 M92 L93 K94 R95	E66-K90 IonicContact OE2-NZ 2.85Å; E66-K90 PolarHBondContact OE2-NZ 2.68Å; S68-K90 VanDerWaalsContact O-CA 3.25Å; S68-K90 WeakPolarHBondContact O-CA 3.48Å; K90-M92 VanDerWaalsContact C-N 3.29Å; K90-M92 PolarHBondContact O-N 2.91Å; K90-L93 CarbonylContact O-C 3.56Å; K90-L93 PolarHBondContact O-N 2.95Å; K90-K94 PolarHBondContact O-N 3.16Å; K90-R95 HydrophobicContact CB-CG 4.18Å; K90-R95 HydrophobicContact CG-CG 4.31Å; K90-R95 WeakPolarHBondContact O-CA 3.25Å; K90-R95 PolarHBondContact O-N 2.78Å
91	D	91.4	Very high	94.1	Very high	104 Å²	104	53.3 Å²	53.3	56%	0.556	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-33.2	179.4	-72.4	-39.4	0	0	0	111.9	T89 L93 K94 R95	T89-D91 PolarHBondContact O-N 3.49Å; T89-D91 VanDerWaalsContact O-N 3.17Å; D91-L93 VanDerWaalsContact C-N 3.28Å; D91-L93 PolarHBondContact O-N 2.85Å; D91-K94 PolarHBondContact O-N 2.81Å; D91-R95 IonicContact OD1-CZ 2.69Å; D91-R95 IonicContact OD1-NE 2.67Å; D91-R95 PolarHBondContact OD1-NE 2.85Å; D91-R95 IonicContact OD1-NH2 3.57Å; D91-R95 PolarHBondContact OD1-NH2 2.82Å; D91-R95 IonicContact OD2-NH2 3.16Å
92	M	90.8	Very high	94.2	Very high	46 Å²	46	51.5 Å²	51.5	23%	0.227	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-30.5	175.6	-62.9	166.5	48.7	0	0	112.2	I88 T89 K90 K94 F130 T139 R142	I88-M92 HydrophobicContact CG2-CE 3.92Å; T89-M92 WeakPolarHBondContact O-CB 3.34Å; T89-M92 PolarHBondContact O-N 3.43Å; T89-M92 WeakPolarHBondContact OG1-CG 3.42Å; K90-M92 VanDerWaalsContact C-N 3.29Å; K90-M92 PolarHBondContact O-N 2.91Å; M92-K94 VanDerWaalsContact C-N 3.33Å; M92-F130 HydrophobicContact CE-CD1 4.37Å; M92-F130 HydrophobicContact CE-CE1 3.49Å; M92-F130 VanDerWaalsContact CE-CE1 3.49Å; M92-F130 HydrophobicContact CE-CZ 4.17Å; M92-T139 HydrophobicContact CE-CG2 3.32Å; M92-T139 HydrophobicContact SD-CG2 3.98Å; M92-R142 VanDerWaalsContact O-CZ 3.31Å; M92-R142 PolarHBondContact O-NH1 2.97Å; M92-R142 PolarHBondContact O-NH2 2.84Å
93	L	90.3	Very high	94.2	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	15.9	179.2	-61.2	176.9	0	0	0	112.8	I88 T89 K90 D91 R95 E96 I98 L116 T118 F128 F130	I88-L93 HydrophobicContact CG2-CD1 3.89Å; I88-L93 HydrophobicContact CG2-CD2 4.14Å; I88-L93 HydrophobicContact CG2-CG 3.89Å; T89-L93 PolarHBondContact O-N 2.91Å; K90-L93 CarbonylContact O-C 3.56Å; K90-L93 PolarHBondContact O-N 2.95Å; D91-L93 VanDerWaalsContact C-N 3.28Å; D91-L93 PolarHBondContact O-N 2.85Å; L93-R95 PolarHBondContact O-N 2.82Å; L93-E96 WeakPolarHBondContact O-CB 3.2Å; L93-E96 PolarHBondContact O-N 2.85Å; L93-I98 HydrophobicContact CD1-CD1 3.51Å; L93-I98 HydrophobicContact CD1-CG1 3.7Å; L93-L116 HydrophobicContact CD1-CD1 4.11Å; L93-L116 HydrophobicContact CD2-CD1 4.2Å; L93-T118 HydrophobicContact CB-CG2 4.38Å; L93-T118 HydrophobicContact CD2-CG2 4.16Å; L93-F128 HydrophobicContact CD2-CD2 4.4Å; L93-F130 HydrophobicContact CD2-CE2 4.03Å; L93-F130 HydrophobicContact CD2-CZ 3.94Å
94	K	89.9	Confident	94.2	Very high	147 Å²	147	51 Å²	51	64%	0.639	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	24.2	-178	-53.2	174.6	-175.9	169.6	0	113.3	K90 D91 M92 E96	K90-K94 PolarHBondContact O-N 3.16Å; D91-K94 PolarHBondContact O-N 2.81Å; M92-K94 VanDerWaalsContact C-N 3.33Å; K94-E96 HydrophobicContact CB-CG 4.34Å; K94-E96 PolarHBondContact O-N 2.81Å
95	R	90.3	Very high	94.1	Very high	149 Å²	149	50.6 Å²	50.6	56%	0.562	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	25.8	-176.9	-56.7	166	176.2	-101.2	-3.1	112.9	K90 D91 L93	K90-R95 HydrophobicContact CB-CG 4.18Å; K90-R95 HydrophobicContact CG-CG 4.31Å; K90-R95 WeakPolarHBondContact O-CA 3.25Å; K90-R95 PolarHBondContact O-N 2.78Å; D91-R95 IonicContact OD1-CZ 2.69Å; D91-R95 IonicContact OD1-NE 2.67Å; D91-R95 PolarHBondContact OD1-NE 2.85Å; D91-R95 IonicContact OD1-NH2 3.57Å; D91-R95 PolarHBondContact OD1-NH2 2.82Å; D91-R95 IonicContact OD2-NH2 3.16Å; L93-R95 PolarHBondContact O-N 2.82Å
96	E	93.8	Very high	94.2	Very high	36 Å²	36	44 Å²	44	17%	0.168	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-76.5	153.6	171.4	-67	179.8	172.6	0	0	110.2	S68 L93 K94 I98 T118	S68-E96 WeakPolarHBondContact CB-O 3.47Å; L93-E96 WeakPolarHBondContact O-CB 3.2Å; L93-E96 PolarHBondContact O-N 2.85Å; K94-E96 HydrophobicContact CB-CG 4.34Å; K94-E96 PolarHBondContact O-N 2.81Å; E96-I98 PolarHBondContact O-N 2.6Å; E96-T118 HydrophobicContact CB-CG2 4.43Å; E96-T118 PolarHBondContact OE2-OG1 2.94Å
97	K	94	Very high	94.2	Very high	72 Å²	72	44.4 Å²	44.4	31%	0.313	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	124.7	179.9	174.9	175	179.9	-175.3	0	109.4	Q67 T118 Q119	Q67-K97 HydrophobicContact CB-CG 4.29Å; Q67-K97 CarbonylContact O-C 3.53Å; Q67-K97 WeakPolarHBondContact O-CA 3.38Å; K97-T118 CarbonylContact O-C 3.51Å; K97-T118 WeakPolarHBondContact O-CA 3.38Å; K97-Q119 PolarHBondContact N-O 3.12Å; K97-Q119 PolarHBondContact O-N 2.86Å
98	I	95.5	Very high	94.2	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	127.7	169.3	-58.3	173.8	0	0	0	108	I64 Q67 L70 L93 E96 V101 L116 T117 T118	I64-I98 HydrophobicContact CD1-CB 4.02Å; I64-I98 HydrophobicContact CD1-CG2 3.53Å; I64-I98 HydrophobicContact CG1-CB 4.32Å; I64-I98 HydrophobicContact CG1-CD1 4.47Å; I64-I98 HydrophobicContact CG1-CG2 3.97Å; I64-I98 HydrophobicContact CG2-CB 4.18Å; I64-I98 HydrophobicContact CG2-CD1 4.29Å; Q67-I98 PolarHBondContact O-N 2.91Å; L70-I98 HydrophobicContact CB-CD1 4.1Å; L93-I98 HydrophobicContact CD1-CD1 3.51Å; L93-I98 HydrophobicContact CD1-CG1 3.7Å; E96-I98 PolarHBondContact O-N 2.6Å; I98-V101 HydrophobicContact CG2-CG2 4.07Å; I98-L116 HydrophobicContact CG2-CD2 4.3Å; I98-T117 WeakPolarHBondContact CA-O 3.46Å; I98-T118 HydrophobicContact CG1-CG2 4.46Å
99	T	93.7	Very high	94.1	Very high	31 Å²	31	46.1 Å²	46.1	19%	0.19	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-29.3	-179.2	42.5	0	0	0	0	113.4	T117 Q119 Q152	T99-T117 PolarHBondContact N-O 2.78Å; T99-T117 WeakPolarHBondContact OG1-CB 3.31Å; T99-T117 PolarHBondContact OG1-O 3.46Å; T99-T117 PolarHBondContact OG1-OG1 3.42Å; T99-Q119 HydrophobicContact CG2-CB 3.58Å; T99-Q152 PolarHBondContact O-NE2 3.08Å
100	S	94.7	Very high	94	Very high	28 Å²	28	48.6 Å²	48.6	20%	0.196	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	149.9	179.5	173.3	0	0	0	0	110.4	T117	S100-T117 WeakPolarHBondContact CA-OG1 3.35Å; S100-T117 VanDerWaalsContact CB-OG1 3.27Å; S100-T117 WeakPolarHBondContact CB-OG1 3.35Å; S100-T117 PolarHBondContact N-OG1 2.8Å; S100-T117 PolarHBondContact O-N 3.39Å; S100-T117 PolarHBondContact O-OG1 3.49Å
101	V	97.6	Very high	94	Very high	6 Å²	6	48 Å²	48	4%	0.036	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.5	177.7	-175.9	0	0	0	0	106.7	A48 A49 F62 I64 L70 I98 V114 L116	A48-V101 HydrophobicContact CB-CB 3.97Å; A48-V101 HydrophobicContact CB-CG2 3.6Å; A49-V101 HydrophobicContact CB-CB 4.35Å; A49-V101 HydrophobicContact CB-CG1 4.33Å; F62-V101 HydrophobicContact CB-CG1 4.15Å; F62-V101 HydrophobicContact CD1-CG1 3.89Å; F62-V101 HydrophobicContact CG-CG1 4.28Å; I64-V101 HydrophobicContact CD1-CG2 3.96Å; I64-V101 HydrophobicContact CG1-CG2 3.99Å; L70-V101 HydrophobicContact CD1-CG1 4.36Å; L70-V101 HydrophobicContact CD1-CG2 4.17Å; L70-V101 HydrophobicContact CD2-CG1 3.99Å; I98-V101 HydrophobicContact CG2-CG2 4.07Å; V101-V114 HydrophobicContact CG1-CG1 3.78Å; V101-L116 HydrophobicContact CB-CD2 3.99Å; V101-L116 HydrophobicContact CG1-CD2 3.86Å; V101-L116 HydrophobicContact CG2-CD2 3.57Å
102	V	97.6	Very high	94.2	Very high	38 Å²	38	45.2 Å²	45.2	23%	0.23	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	103.9	177	-170.2	0	0	0	0	108.6	Y106 L115 V155	V102-Y106 WeakPolarHBondContact CG1-OH 3.35Å; V102-L115 HydrophobicContact CB-CB 4.33Å; V102-L115 HydrophobicContact CB-CD2 4.43Å; V102-L115 HydrophobicContact CG2-CD2 4.36Å; V102-L115 PolarHBondContact N-O 2.75Å; V102-L115 PolarHBondContact O-N 3.03Å; V102-V155 HydrophobicContact CB-CG2 4.23Å; V102-V155 HydrophobicContact CG1-CB 4.18Å; V102-V155 HydrophobicContact CG1-CG1 4.29Å; V102-V155 HydrophobicContact CG1-CG2 3.93Å; V102-V155 HydrophobicContact CG2-CG2 4.16Å
103	P	97.4	Very high	94.5	Very high	30 Å²	30	43 Å²	43	20%	0.195	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	141	170.9	29.7	-31.5	0	0	0	110	A49 F50 F62 M112 D113	A49-P103 HydrophobicContact CB-CG 4Å; F50-P103 WeakPolarHBondContact O-CG 3.49Å; F62-P103 HydrophobicContact CE1-CB 4.3Å; F62-P103 HydrophobicContact CE2-CB 4.1Å; F62-P103 HydrophobicContact CE2-CG 4.27Å; F62-P103 HydrophobicContact CZ-CB 3.83Å; F62-P103 HydrophobicContact CZ-CG 4.46Å; P103-M112 HydrophobicContact CB-CG 4.03Å; P103-M112 HydrophobicContact CB-SD 3.69Å; P103-D113 WeakPolarHBondContact CA-O 3.22Å
104	G	96.1	Very high	94.8	Very high	11 Å²	11	43 Å²	43	11%	0.113	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.4	166.4	177.5	0	0	0	0	0	111.7	Y106 M112 D113	G104-Y106 WeakPolarHBondContact O-CD2 3.44Å; G104-Y106 PolarHBondContact O-N 2.92Å; G104-M112 PolarHBondContact N-SD 2.95Å; G104-D113 PolarHBondContact N-O 3.45Å; G104-D113 VanDerWaalsContact N-O 3.13Å; G104-D113 CarbonylContact O-C 3.58Å; G104-D113 VanDerWaalsContact O-CA 3.24Å; G104-D113 WeakPolarHBondContact O-CA 3.23Å; G104-D113 WeakPolarHBondContact O-CB 3.29Å; G104-D113 PolarHBondContact O-N 2.83Å
105	D	95.8	Very high	95.2	Very high	36 Å²	36	36 Å²	36	19%	0.193	20%	0.201	C	C	.	.			trans	-91.6	91.1	175.8	175.7	7.7	0	0	0	109.9	D107 G108 D109 S110 P164	D105-D107 VanDerWaalsContact C-N 3.34Å; D105-D107 PolarHBondContact OD1-N 2.92Å; D105-G108 VanDerWaalsContact OD1-CA 3.26Å; D105-G108 WeakPolarHBondContact OD1-CA 3.45Å; D105-G108 PolarHBondContact OD1-N 3.11Å; D105-G108 WeakPolarHBondContact OD2-CA 3.46Å; D105-D109 PolarHBondContact OD1-N 3.03Å; D105-D109 VanDerWaalsContact OD1-N 3.11Å; D105-D109 PolarHBondContact OD2-N 3.46Å; D105-S110 WeakPolarHBondContact OD2-CA 3.25Å; D105-S110 PolarHBondContact OD2-N 3.07Å; D105-P164 WeakPolarHBondContact O-CD 3.31Å
106	Y	96.3	Very high	95.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-88.1	0.1	-171.3	-74.2	-88.6	0	0	0	113.5	V102 G104 D113 L115 I129 V155 P164	V102-Y106 WeakPolarHBondContact CG1-OH 3.35Å; G104-Y106 WeakPolarHBondContact O-CD2 3.44Å; G104-Y106 PolarHBondContact O-N 2.92Å; Y106-D113 HydrophobicContact CD2-CB 4.01Å; Y106-D113 PolarHBondContact N-OD2 3.34Å; Y106-L115 HydrophobicContact CD1-CD1 4.46Å; Y106-L115 HydrophobicContact CD2-CB 4.41Å; Y106-L115 HydrophobicContact CE1-CB 4.12Å; Y106-L115 HydrophobicContact CE1-CD1 3.59Å; Y106-L115 HydrophobicContact CE2-CB 3.58Å; Y106-L115 VanDerWaalsContact CZ-CB 3.41Å; Y106-L115 WeakPolarHBondContact OH-CB 3.42Å; Y106-I129 HydrophobicContact CD1-CD1 3.99Å; Y106-I129 HydrophobicContact CD2-CG2 4.05Å; Y106-I129 HydrophobicContact CG-CD1 4.22Å; Y106-I129 HydrophobicContact CG-CG2 3.92Å; Y106-V155 HydrophobicContact CE1-CG1 4.28Å; Y106-V155 WeakPolarHBondContact OH-CG1 3.44Å; Y106-V155 WeakPolarHBondContact OH-CG2 3.38Å; Y106-P164 HydrophobicContact CD1-CB 3.97Å; Y106-P164 HydrophobicContact CD1-CG 4.46Å; Y106-P164 VanDerWaalsContact CD1-O 3.29Å; Y106-P164 WeakPolarHBondContact CD1-O 3.4Å; Y106-P164 HydrophobicContact CE1-CB 3.63Å; Y106-P164 HydrophobicContact CE1-CG 4.38Å
107	D	94.9	Very high	95.6	Very high	20 Å²	20	27.3 Å²	27.3	11%	0.107	17%	0.167	C	C	.	.	S	Bend	trans	-126.3	-3.8	176.5	78.9	-0.7	0	0	0	115.4	D105 D109 D113 W131 R183	D105-D107 VanDerWaalsContact C-N 3.34Å; D105-D107 PolarHBondContact OD1-N 2.92Å; D107-D109 VanDerWaalsContact OD1-CB 3.24Å; D107-D109 WeakPolarHBondContact OD1-CB 3.41Å; D107-D109 PolarHBondContact OD1-N 2.99Å; D107-D113 PolarHBondContact N-OD2 2.91Å; D107-W131 HydrophobicContact CB-CE3 4.2Å; D107-W131 HydrophobicContact CB-CZ3 3.89Å; D107-R183 HydrophobicContact CB-CG 3.54Å; D107-R183 IonicContact OD2-CZ 3.08Å; D107-R183 IonicContact OD2-NE 2.72Å; D107-R183 PolarHBondContact OD2-NE 3.17Å; D107-R183 IonicContact OD2-NH2 3.71Å; D107-R183 PolarHBondContact OD2-NH2 2.79Å
108	G	94.5	Very high	95.7	Very high	41 Å²	41	23.9 Å²	23.9	42%	0.423	15%	0.152	S	C	.	.	S	Bend	trans	79.1	21.2	175.3	0	0	0	0	0	113.5	D105 S110	D105-G108 VanDerWaalsContact OD1-CA 3.26Å; D105-G108 WeakPolarHBondContact OD1-CA 3.45Å; D105-G108 PolarHBondContact OD1-N 3.11Å; D105-G108 WeakPolarHBondContact OD2-CA 3.46Å; G108-S110 VanDerWaalsContact C-N 3.32Å
109	D	94	Very high	95.5	Very high	60 Å²	60	26 Å²	26	32%	0.321	16%	0.162	S	C	.	.	S	Bend	trans	-89.4	3.6	-179.8	87.9	-3.9	0	0	0	114.2	D105 D107 Q111	D105-D109 PolarHBondContact OD1-N 3.03Å; D105-D109 VanDerWaalsContact OD1-N 3.11Å; D105-D109 PolarHBondContact OD2-N 3.46Å; D107-D109 VanDerWaalsContact OD1-CB 3.24Å; D107-D109 WeakPolarHBondContact OD1-CB 3.41Å; D107-D109 PolarHBondContact OD1-N 2.99Å; D109-Q111 PolarHBondContact O-N 2.93Å; D109-Q111 WeakPolarHBondContact OD1-CA 3.44Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.22Å; D109-Q111 WeakPolarHBondContact OD1-CG 3.41Å; D109-Q111 PolarHBondContact OD1-N 3.48Å; D109-Q111 PolarHBondContact OD2-NE2 2.98Å
110	S	92.1	Very high	95.1	Very high	101 Å²	101	26.5 Å²	26.5	71%	0.706	16%	0.163	S	C	*	.	S	Bend	trans	65	18.3	-177.2	-50.6	0	0	0	0	114.5	D105 G108	D105-S110 WeakPolarHBondContact OD2-CA 3.25Å; D105-S110 PolarHBondContact OD2-N 3.07Å; G108-S110 VanDerWaalsContact C-N 3.32Å
111	Q	93.6	Very high	94.4	Very high	46 Å²	46	33.5 Å²	33.5	22%	0.215	20%	0.197	C	C	.	.	S	Bend	trans	-108.2	150.7	169.6	-53	-179.1	88.2	0	0	110.3	D109 D113 N133	D109-Q111 PolarHBondContact O-N 2.93Å; D109-Q111 WeakPolarHBondContact OD1-CA 3.44Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.22Å; D109-Q111 WeakPolarHBondContact OD1-CG 3.41Å; D109-Q111 PolarHBondContact OD1-N 3.48Å; D109-Q111 PolarHBondContact OD2-NE2 2.98Å; Q111-D113 PolarHBondContact O-N 3.41Å; Q111-N133 VanDerWaalsContact OE1-CA 3.3Å; Q111-N133 PolarHBondContact OE1-OD1 2.88Å
112	M	95.1	Very high	93.7	Very high	44 Å²	44	37.3 Å²	37.3	22%	0.217	22%	0.224	C	C	.	.			trans	-75.4	113.3	-179.9	-168.3	70.6	74.5	0	0	110.6	D52 F53 P103 G104 G132	D52-M112 WeakPolarHBondContact O-CE 3.49Å; F53-M112 HydrophobicContact CD2-CB 4.13Å; F53-M112 HydrophobicContact CD2-CG 4.16Å; F53-M112 WeakPolarHBondContact CE2-O 3.49Å; P103-M112 HydrophobicContact CB-CG 4.03Å; P103-M112 HydrophobicContact CB-SD 3.69Å; G104-M112 PolarHBondContact N-SD 2.95Å; M112-G132 VanDerWaalsContact O-CA 3.3Å; M112-G132 WeakPolarHBondContact O-CA 3.11Å
113	D	96.8	Very high	93	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	176.7	165.9	-54.8	-45.8	0	0	0	110.9	P103 G104 Y106 D107 Q111 I129 F130 W131 G132	P103-D113 WeakPolarHBondContact CA-O 3.22Å; G104-D113 PolarHBondContact N-O 3.45Å; G104-D113 VanDerWaalsContact N-O 3.13Å; G104-D113 CarbonylContact O-C 3.58Å; G104-D113 VanDerWaalsContact O-CA 3.24Å; G104-D113 WeakPolarHBondContact O-CA 3.23Å; G104-D113 WeakPolarHBondContact O-CB 3.29Å; G104-D113 PolarHBondContact O-N 2.83Å; Y106-D113 HydrophobicContact CD2-CB 4.01Å; Y106-D113 PolarHBondContact N-OD2 3.34Å; D107-D113 PolarHBondContact N-OD2 2.91Å; Q111-D113 PolarHBondContact O-N 3.41Å; D113-I129 HydrophobicContact CB-CG2 4.41Å; D113-F130 WeakPolarHBondContact CA-O 3.16Å; D113-F130 WeakPolarHBondContact CB-O 2.98Å; D113-W131 HydrophobicContact CB-CE3 4.47Å; D113-W131 WeakPolarHBondContact OD1-CA 3.49Å; D113-G132 PolarHBondContact OD1-N 3.44Å
114	V	97.4	Very high	92.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	114.5	178.5	-170.3	0	0	0	0	110.8	F53 F62 L70 I72 V101 L116 F130 I137	F53-V114 HydrophobicContact CE2-CG2 4.22Å; F62-V114 HydrophobicContact CE1-CG1 4.4Å; F62-V114 HydrophobicContact CE1-CG2 3.74Å; L70-V114 HydrophobicContact CD2-CG1 3.79Å; I72-V114 HydrophobicContact CD1-CG2 4.35Å; V101-V114 HydrophobicContact CG1-CG1 3.78Å; V114-L116 HydrophobicContact CG1-CD2 4.04Å; V114-L116 HydrophobicContact CG1-CG 4.08Å; V114-F130 HydrophobicContact CB-CB 4.43Å; V114-F130 PolarHBondContact N-O 2.9Å; V114-F130 PolarHBondContact O-N 2.93Å; V114-I137 HydrophobicContact CB-CD1 4.48Å; V114-I137 HydrophobicContact CG2-CD1 3.73Å
115	L	97.6	Very high	92.5	Very high	1 Å²	1	43 Å²	43	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.7	164.5	-176.5	155.1	0	0	0	109.5	V102 Y106 T117 V127 F128 I129 V155 V166	V102-L115 HydrophobicContact CB-CB 4.33Å; V102-L115 HydrophobicContact CB-CD2 4.43Å; V102-L115 HydrophobicContact CG2-CD2 4.36Å; V102-L115 PolarHBondContact N-O 2.75Å; V102-L115 PolarHBondContact O-N 3.03Å; Y106-L115 HydrophobicContact CD1-CD1 4.46Å; Y106-L115 HydrophobicContact CD2-CB 4.41Å; Y106-L115 HydrophobicContact CE1-CB 4.12Å; Y106-L115 HydrophobicContact CE1-CD1 3.59Å; Y106-L115 HydrophobicContact CE2-CB 3.58Å; Y106-L115 VanDerWaalsContact CZ-CB 3.41Å; Y106-L115 WeakPolarHBondContact OH-CB 3.42Å; L115-T117 HydrophobicContact CD2-CG2 3.9Å; L115-V127 HydrophobicContact CD1-CG1 3.87Å; L115-V127 HydrophobicContact CD2-CG1 4.05Å; L115-V127 HydrophobicContact CG-CG1 3.85Å; L115-F128 CarbonylContact C-O 3.28Å; L115-F128 WeakPolarHBondContact CA-O 3.26Å; L115-I129 HydrophobicContact CB-CG1 4.43Å; L115-I129 HydrophobicContact CD1-CG1 4.27Å; L115-I129 HydrophobicContact CG-CG1 4.32Å; L115-V155 HydrophobicContact CD1-CG2 4.25Å; L115-V166 HydrophobicContact CD1-CG2 3.63Å
116	L	96.9	Very high	92.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.4	176.1	-72.9	-173.8	0	0	0	110.9	L70 I88 L93 I98 V101 V114 V127 F128 F130	L70-L116 HydrophobicContact CB-CD1 4.47Å; L70-L116 HydrophobicContact CD2-CD1 4.2Å; L70-L116 HydrophobicContact CD2-CD2 3.81Å; L70-L116 HydrophobicContact CD2-CG 4.4Å; I88-L116 HydrophobicContact CD1-CD1 3.78Å; I88-L116 HydrophobicContact CG2-CD1 4.1Å; L93-L116 HydrophobicContact CD1-CD1 4.11Å; L93-L116 HydrophobicContact CD2-CD1 4.2Å; I98-L116 HydrophobicContact CG2-CD2 4.3Å; V101-L116 HydrophobicContact CB-CD2 3.99Å; V101-L116 HydrophobicContact CG1-CD2 3.86Å; V101-L116 HydrophobicContact CG2-CD2 3.57Å; V114-L116 HydrophobicContact CG1-CD2 4.04Å; V114-L116 HydrophobicContact CG1-CG 4.08Å; L116-V127 WeakPolarHBondContact O-CA 3.31Å; L116-F128 PolarHBondContact N-O 3.39Å; L116-F128 PolarHBondContact O-N 2.72Å; L116-F130 HydrophobicContact CB-CE2 4.39Å; L116-F130 HydrophobicContact CD1-CD2 3.99Å; L116-F130 HydrophobicContact CD1-CE2 3.73Å; L116-F130 HydrophobicContact CG-CD2 4.26Å; L116-F130 HydrophobicContact CG-CE2 4.32Å
117	T	96.1	Very high	92.5	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.3	168.8	67.6	0	0	0	0	109.6	I98 T99 S100 L115 T125 S126 V127 P153	I98-T117 WeakPolarHBondContact CA-O 3.46Å; T99-T117 PolarHBondContact N-O 2.78Å; T99-T117 WeakPolarHBondContact OG1-CB 3.31Å; T99-T117 PolarHBondContact OG1-O 3.46Å; T99-T117 PolarHBondContact OG1-OG1 3.42Å; S100-T117 WeakPolarHBondContact CA-OG1 3.35Å; S100-T117 VanDerWaalsContact CB-OG1 3.27Å; S100-T117 WeakPolarHBondContact CB-OG1 3.35Å; S100-T117 PolarHBondContact N-OG1 2.8Å; S100-T117 PolarHBondContact O-N 3.39Å; S100-T117 PolarHBondContact O-OG1 3.49Å; L115-T117 HydrophobicContact CD2-CG2 3.9Å; T117-T125 HydrophobicContact CG2-CG2 4.24Å; T117-S126 CarbonylContact C-O 3.59Å; T117-S126 VanDerWaalsContact CA-O 3.27Å; T117-S126 WeakPolarHBondContact CA-O 3.25Å; T117-V127 HydrophobicContact CG2-CG2 4.33Å; T117-P153 HydrophobicContact CG2-CG 4.15Å
118	T	95.6	Very high	92.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	148.2	172.5	68.6	0	0	0	0	110.6	L93 E96 K97 I98 T125 S126 F128	L93-T118 HydrophobicContact CB-CG2 4.38Å; L93-T118 HydrophobicContact CD2-CG2 4.16Å; E96-T118 HydrophobicContact CB-CG2 4.43Å; E96-T118 PolarHBondContact OE2-OG1 2.94Å; K97-T118 CarbonylContact O-C 3.51Å; K97-T118 WeakPolarHBondContact O-CA 3.38Å; I98-T118 HydrophobicContact CG1-CG2 4.46Å; T118-T125 CarbonylContact O-C 3.57Å; T118-T125 VanDerWaalsContact O-CA 3.28Å; T118-T125 WeakPolarHBondContact O-CA 3.24Å; T118-S126 PolarHBondContact N-O 2.91Å; T118-S126 PolarHBondContact O-N 3.42Å; T118-F128 HydrophobicContact CG2-CD2 4.22Å; T118-F128 HydrophobicContact CG2-CE2 3.95Å; T118-F128 WeakPolarHBondContact OG1-CE2 3.47Å
119	Q	92.6	Very high	92.6	Very high	50 Å²	50	39.7 Å²	39.7	23%	0.234	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.7	176	-169.7	176.6	59	0	0	110.5	K97 T99 L123 K124	K97-Q119 PolarHBondContact N-O 3.12Å; K97-Q119 PolarHBondContact O-N 2.86Å; T99-Q119 HydrophobicContact CG2-CB 3.58Å; Q119-L123 HydrophobicContact CG-CD2 4.5Å; Q119-L123 PolarHBondContact NE2-O 2.8Å; Q119-L123 VanDerWaalsContact NE2-O 3.15Å; Q119-K124 WeakPolarHBondContact CA-O 3.37Å
120	N	83.8	Confident	92.7	Very high	42 Å²	42	36.9 Å²	36.9	23%	0.225	20%	0.203	C	C	.	.			trans	-87.5	176.8	175.1	69.9	21.2	0	0	0	112	S122 L123 K124	N120-S122 PolarHBondContact O-N 2.93Å; N120-S122 VanDerWaalsContact O-N 3.11Å; N120-S122 VanDerWaalsContact OD1-CA 3.31Å; N120-S122 WeakPolarHBondContact OD1-CA 3.31Å; N120-S122 WeakPolarHBondContact OD1-CB 3.28Å; N120-S122 PolarHBondContact OD1-N 3.22Å; N120-L123 PolarHBondContact O-N 3.38Å; N120-L123 PolarHBondContact OD1-N 3.42Å; N120-K124 PolarHBondContact N-O 3.36Å; N120-K124 PolarHBondContact OD1-N 2.79Å; N120-K124 VanDerWaalsContact OD1-N 3.15Å
121	I	81	Confident	92.9	Very high	175 Å²	175	32.4 Å²	32.4	90%	0.897	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.2	179	-60.6	170.2	0	0	0	112.3	L123	I121-L123 PolarHBondContact O-N 3.01Å
122	S	82.2	Confident	93	Very high	87 Å²	87	30.4 Å²	30.4	61%	0.608	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	12	176.1	-54.7	0	0	0	0	113.7	N120 K124	N120-S122 PolarHBondContact O-N 2.93Å; N120-S122 VanDerWaalsContact O-N 3.11Å; N120-S122 VanDerWaalsContact OD1-CA 3.31Å; N120-S122 WeakPolarHBondContact OD1-CA 3.31Å; N120-S122 WeakPolarHBondContact OD1-CB 3.28Å; N120-S122 PolarHBondContact OD1-N 3.22Å; S122-K124 PolarHBondContact O-N 3.05Å; S122-K124 VanDerWaalsContact O-N 3.14Å
123	L	84.2	Confident	92.7	Very high	117 Å²	117	32.9 Å²	32.9	61%	0.613	18%	0.177	S	C	*	.			trans	59.2	18.6	-177.9	-57.1	175.9	0	0	0	114.5	Q119 N120 I121	Q119-L123 HydrophobicContact CG-CD2 4.5Å; Q119-L123 PolarHBondContact NE2-O 2.8Å; Q119-L123 VanDerWaalsContact NE2-O 3.15Å; N120-L123 PolarHBondContact O-N 3.38Å; N120-L123 PolarHBondContact OD1-N 3.42Å; I121-L123 PolarHBondContact O-N 3.01Å
124	K	88.6	Confident	92.2	Very high	81 Å²	81	35.7 Å²	35.7	35%	0.352	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-89.2	140.4	176.8	-61.6	-177.8	179.9	-177.7	0	110.3	Q119 N120 S122 T148	Q119-K124 WeakPolarHBondContact CA-O 3.37Å; N120-K124 PolarHBondContact N-O 3.36Å; N120-K124 PolarHBondContact OD1-N 2.79Å; N120-K124 VanDerWaalsContact OD1-N 3.15Å; S122-K124 PolarHBondContact O-N 3.05Å; S122-K124 VanDerWaalsContact O-N 3.14Å; K124-T148 HydrophobicContact CB-CG2 4.31Å
125	T	93.7	Very high	91.7	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.5	-177.8	-57.4	0	0	0	0	110.6	T117 T118 T148 F149	T117-T125 HydrophobicContact CG2-CG2 4.24Å; T118-T125 CarbonylContact O-C 3.57Å; T118-T125 VanDerWaalsContact O-CA 3.28Å; T118-T125 WeakPolarHBondContact O-CA 3.24Å; T125-T148 CarbonylContact O-C 3.5Å; T125-T148 VanDerWaalsContact O-CA 3.28Å; T125-T148 WeakPolarHBondContact O-CA 3.33Å; T125-T148 WeakPolarHBondContact O-CB 3.29Å; T125-F149 PolarHBondContact N-O 2.92Å; T125-F149 PolarHBondContact O-N 2.9Å
126	S	95.1	Very high	91.4	Very high	21 Å²	21	44.4 Å²	44.4	15%	0.147	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	146	170	-55.8	0	0	0	0	109.6	T117 T118	T117-S126 CarbonylContact C-O 3.59Å; T117-S126 VanDerWaalsContact CA-O 3.27Å; T117-S126 WeakPolarHBondContact CA-O 3.25Å; T118-S126 PolarHBondContact N-O 2.91Å; T118-S126 PolarHBondContact O-N 3.42Å
127	V	95.8	Very high	91.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.9	179.8	-179	0	0	0	0	109.9	L115 L116 T117 M145 F149 P153	L115-V127 HydrophobicContact CD1-CG1 3.87Å; L115-V127 HydrophobicContact CD2-CG1 4.05Å; L115-V127 HydrophobicContact CG-CG1 3.85Å; L116-V127 WeakPolarHBondContact O-CA 3.31Å; T117-V127 HydrophobicContact CG2-CG2 4.33Å; V127-M145 HydrophobicContact CB-CB 4.33Å; V127-M145 HydrophobicContact CB-CG 3.94Å; V127-M145 HydrophobicContact CB-SD 3.92Å; V127-M145 HydrophobicContact CG1-CE 4.05Å; V127-M145 HydrophobicContact CG1-CG 4.19Å; V127-M145 HydrophobicContact CG1-SD 4.06Å; V127-M145 HydrophobicContact CG2-SD 4.34Å; V127-M145 PolarHBondContact O-N 2.99Å; V127-M145 VanDerWaalsContact O-N 3.12Å; V127-F149 HydrophobicContact CB-CE2 4.3Å; V127-F149 HydrophobicContact CG2-CD2 3.54Å; V127-F149 HydrophobicContact CG2-CE2 3.47Å; V127-F149 VanDerWaalsContact CG2-CE2 3.47Å; V127-P153 HydrophobicContact CG2-CG 3.95Å
128	F	95.8	Very high	91	Very high	5 Å²	5	47.8 Å²	47.8	2%	0.022	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.6	176.2	-55.1	-84.6	0	0	0	109.5	L93 L115 L116 T118 F130 H143 T144	L93-F128 HydrophobicContact CD2-CD2 4.4Å; L115-F128 CarbonylContact C-O 3.28Å; L115-F128 WeakPolarHBondContact CA-O 3.26Å; L116-F128 PolarHBondContact N-O 3.39Å; L116-F128 PolarHBondContact O-N 2.72Å; T118-F128 HydrophobicContact CG2-CD2 4.22Å; T118-F128 HydrophobicContact CG2-CE2 3.95Å; T118-F128 WeakPolarHBondContact OG1-CE2 3.47Å; F128-F130 HydrophobicContact CB-CD2 4.21Å; F128-F130 HydrophobicContact CB-CE2 3.72Å; F128-F130 HydrophobicContact CG-CE2 4.48Å; F128-H143 WeakPolarHBondContact CA-O 3.37Å; F128-T144 HydrophobicContact CD1-CG2 3.85Å; F128-T144 WeakPolarHBondContact CD1-OG1 3.14Å; F128-T144 HydrophobicContact CE1-CG2 3.58Å
129	I	96.9	Very high	90.5	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.9	170	-49.7	174.5	0	0	0	107.9	Y106 D113 L115 W131 R142 H143 L180	Y106-I129 HydrophobicContact CD1-CD1 3.99Å; Y106-I129 HydrophobicContact CD2-CG2 4.05Å; Y106-I129 HydrophobicContact CG-CD1 4.22Å; Y106-I129 HydrophobicContact CG-CG2 3.92Å; D113-I129 HydrophobicContact CB-CG2 4.41Å; L115-I129 HydrophobicContact CB-CG1 4.43Å; L115-I129 HydrophobicContact CD1-CG1 4.27Å; L115-I129 HydrophobicContact CG-CG1 4.32Å; I129-W131 HydrophobicContact CB-CH2 4.29Å; I129-W131 HydrophobicContact CB-CZ3 4.36Å; I129-W131 HydrophobicContact CG2-CE3 3.96Å; I129-W131 HydrophobicContact CG2-CH2 3.97Å; I129-W131 HydrophobicContact CG2-CZ3 3.56Å; I129-R142 CarbonylContact O-C 3.57Å; I129-R142 WeakPolarHBondContact O-CA 3.36Å; I129-R142 WeakPolarHBondContact O-CB 3Å; I129-H143 HydrophobicContact CB-CB 4.01Å; I129-H143 HydrophobicContact CG1-CB 4.49Å; I129-H143 PolarHBondContact N-O 2.97Å; I129-H143 PolarHBondContact O-N 2.96Å; I129-L180 HydrophobicContact CD1-CD1 3.83Å; I129-L180 HydrophobicContact CD1-CD2 3.84Å
130	F	96.7	Very high	90.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.3	179.7	-75.3	-89.7	0	0	0	109.2	I88 M92 L93 D113 V114 L116 F128 I137 R142	I88-F130 HydrophobicContact CD1-CB 4.01Å; I88-F130 HydrophobicContact CD1-CD1 3.87Å; I88-F130 HydrophobicContact CD1-CD2 3.71Å; I88-F130 HydrophobicContact CD1-CE1 4.2Å; I88-F130 HydrophobicContact CD1-CE2 4.06Å; I88-F130 HydrophobicContact CD1-CG 3.59Å; I88-F130 HydrophobicContact CD1-CZ 4.26Å; I88-F130 HydrophobicContact CG1-CD1 4.3Å; I88-F130 HydrophobicContact CG1-CE1 4.37Å; I88-F130 HydrophobicContact CG1-CG 4.49Å; I88-F130 HydrophobicContact CG2-CE1 4.13Å; I88-F130 HydrophobicContact CG2-CE2 4.24Å; I88-F130 HydrophobicContact CG2-CZ 3.77Å; M92-F130 HydrophobicContact CE-CD1 4.37Å; M92-F130 HydrophobicContact CE-CE1 3.49Å; M92-F130 VanDerWaalsContact CE-CE1 3.49Å; M92-F130 HydrophobicContact CE-CZ 4.17Å; L93-F130 HydrophobicContact CD2-CE2 4.03Å; L93-F130 HydrophobicContact CD2-CZ 3.94Å; D113-F130 WeakPolarHBondContact CA-O 3.16Å; D113-F130 WeakPolarHBondContact CB-O 2.98Å; V114-F130 HydrophobicContact CB-CB 4.43Å; V114-F130 PolarHBondContact N-O 2.9Å; V114-F130 PolarHBondContact O-N 2.93Å; L116-F130 HydrophobicContact CB-CE2 4.39Å; L116-F130 HydrophobicContact CD1-CD2 3.99Å; L116-F130 HydrophobicContact CD1-CE2 3.73Å; L116-F130 HydrophobicContact CG-CD2 4.26Å; L116-F130 HydrophobicContact CG-CE2 4.32Å; F128-F130 HydrophobicContact CB-CD2 4.21Å; F128-F130 HydrophobicContact CB-CE2 3.72Å; F128-F130 HydrophobicContact CG-CE2 4.48Å; F130-I137 HydrophobicContact CB-CG2 3.68Å; F130-I137 HydrophobicContact CD1-CG2 3.92Å; F130-I137 HydrophobicContact CG-CG2 4.21Å; F130-R142 HydrophobicContact CD1-CB 3.93Å; F130-R142 HydrophobicContact CE1-CB 3.98Å; F130-R142 HydrophobicContact CE1-CG 4.45Å; F130-R142 HydrophobicContact CG-CB 4.37Å; F130-R142 HydrophobicContact CZ-CB 4.46Å
131	W	95.9	Very high	90.3	Very high	7 Å²	7	57.9 Å²	57.9	3%	0.027	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	127.8	-174.7	-44.8	115.9	0	0	0	111.3	D107 D113 I129 I137 E138 K141 H143 L180 R183	D107-W131 HydrophobicContact CB-CE3 4.2Å; D107-W131 HydrophobicContact CB-CZ3 3.89Å; D113-W131 HydrophobicContact CB-CE3 4.47Å; D113-W131 WeakPolarHBondContact OD1-CA 3.49Å; I129-W131 HydrophobicContact CB-CH2 4.29Å; I129-W131 HydrophobicContact CB-CZ3 4.36Å; I129-W131 HydrophobicContact CG2-CE3 3.96Å; I129-W131 HydrophobicContact CG2-CH2 3.97Å; I129-W131 HydrophobicContact CG2-CZ3 3.56Å; W131-I137 CarbonylContact O-C 3.6Å; W131-I137 WeakPolarHBondContact O-CA 3.29Å; W131-E138 HydrophobicContact CB-CB 4.33Å; W131-E138 PolarHBondContact O-N 3.33Å; W131-K141 VanDerWaalsContact CD1-O 3.27Å; W131-K141 PolarHBondContact NE1-O 2.87Å; W131-H143 HydrophobicContact CH2-CB 4.14Å; W131-H143 HydrophobicContact CZ2-CB 3.62Å; W131-L180 HydrophobicContact CH2-CD2 3.87Å; W131-R183 VanDerWaalsContact CD1-NH1 3.32Å; W131-R183 HydrophobicContact CD2-CG 4.48Å; W131-R183 HydrophobicContact CE3-CG 4.45Å; W131-R183 HydrophobicContact CH2-CB 3.95Å; W131-R183 HydrophobicContact CH2-CG 3.73Å; W131-R183 HydrophobicContact CZ2-CB 3.78Å; W131-R183 HydrophobicContact CZ2-CG 3.69Å; W131-R183 HydrophobicContact CZ3-CG 4.12Å
132	G	94.3	Very high	90.8	Very high	4 Å²	4	52.5 Å²	52.5	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	153.9	172.2	0	0	0	0	0	111.9	M112 D113	M112-G132 VanDerWaalsContact O-CA 3.3Å; M112-G132 WeakPolarHBondContact O-CA 3.11Å; D113-G132 PolarHBondContact OD1-N 3.44Å
133	N	90.8	Very high	91.4	Very high	96 Å²	96	50 Å²	50	51%	0.513	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	70.7	165.2	-174	2.3	0	0	0	107.3	Q111 H135 T136	Q111-N133 VanDerWaalsContact OE1-CA 3.3Å; Q111-N133 PolarHBondContact OE1-OD1 2.88Å; N133-H135 PolarHBondContact O-N 3.23Å; N133-T136 PolarHBondContact N-O 3.2Å; N133-T136 PolarHBondContact O-N 2.99Å; N133-T136 VanDerWaalsContact O-N 3.13Å; N133-T136 PolarHBondContact O-OG1 3.26Å
134	N	84.8	Confident	91.9	Very high	59 Å²	59	47.5 Å²	47.5	32%	0.316	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	-86.5	-179.3	-171.9	-20.4	0	0	0	113.4	F53 N54	F53-N134 VanDerWaalsContact CD1-O 3.29Å; F53-N134 WeakPolarHBondContact CD1-O 3.46Å; F53-N134 WeakPolarHBondContact CE1-O 3.5Å; N54-N134 WeakPolarHBondContact CA-OD1 3.4Å; N54-N134 PolarHBondContact O-OD1 2.96Å
135	H	87.3	Confident	92.1	Very high	105 Å²	105	44.1 Å²	44.1	49%	0.486	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	1.8	-179.1	-68.3	73	0	0	0	113.8	V86 N133	V86-H135 WeakPolarHBondContact CG2-O 3.33Å; N133-H135 PolarHBondContact O-N 3.23Å
136	T	92.1	Very high	92	Very high	79 Å²	79	50.7 Å²	50.7	49%	0.485	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	160.9	-172.9	63	0	0	0	0	112.2	N133	N133-T136 PolarHBondContact N-O 3.2Å; N133-T136 PolarHBondContact O-N 2.99Å; N133-T136 VanDerWaalsContact O-N 3.13Å; N133-T136 PolarHBondContact O-OG1 3.26Å
137	I	93.1	Very high	91.8	Very high	19 Å²	19	52 Å²	52	10%	0.097	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.8	172.7	-74.8	-178	0	0	0	109.8	F53 I72 V86 I88 V114 F130 W131 T139	F53-I137 HydrophobicContact CE2-CD1 3.97Å; F53-I137 HydrophobicContact CE2-CG1 3.79Å; F53-I137 HydrophobicContact CZ-CD1 4.03Å; F53-I137 HydrophobicContact CZ-CG1 3.47Å; F53-I137 VanDerWaalsContact CZ-CG1 3.47Å; I72-I137 HydrophobicContact CD1-CD1 3.75Å; V86-I137 HydrophobicContact CG1-CB 4.2Å; V86-I137 HydrophobicContact CG1-CD1 3.92Å; V86-I137 HydrophobicContact CG1-CG1 3.86Å; I88-I137 HydrophobicContact CD1-CD1 3.87Å; I88-I137 HydrophobicContact CD1-CG2 4.31Å; I88-I137 HydrophobicContact CG1-CD1 4.28Å; I88-I137 HydrophobicContact CG1-CG2 4.38Å; V114-I137 HydrophobicContact CB-CD1 4.48Å; V114-I137 HydrophobicContact CG2-CD1 3.73Å; F130-I137 HydrophobicContact CB-CG2 3.68Å; F130-I137 HydrophobicContact CD1-CG2 3.92Å; F130-I137 HydrophobicContact CG-CG2 4.21Å; W131-I137 CarbonylContact O-C 3.6Å; W131-I137 WeakPolarHBondContact O-CA 3.29Å; I137-T139 HydrophobicContact CG2-CG2 4.13Å; I137-T139 PolarHBondContact O-N 3.29Å; I137-T139 VanDerWaalsContact O-N 3.15Å
138	E	90.7	Very high	91.8	Very high	55 Å²	55	53.4 Å²	53.4	26%	0.257	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	96.4	172.4	-169.3	175.8	-165	0	0	110.7	W131 K141 R183	W131-E138 HydrophobicContact CB-CB 4.33Å; W131-E138 PolarHBondContact O-N 3.33Å; E138-K141 HydrophobicContact CG-CB 4.32Å; E138-K141 WeakPolarHBondContact OE1-CG 3.04Å; E138-K141 IonicContact OE1-NZ 2.7Å; E138-K141 PolarHBondContact OE1-NZ 2.85Å; E138-R183 IonicContact OE2-NH1 2.72Å
139	T	84.8	Confident	91.6	Very high	67 Å²	67	53.1 Å²	53.1	41%	0.411	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-22.5	-175.2	56.6	0	0	0	0	114.3	M92 I137	M92-T139 HydrophobicContact CE-CG2 3.32Å; M92-T139 HydrophobicContact SD-CG2 3.98Å; I137-T139 HydrophobicContact CG2-CG2 4.13Å; I137-T139 PolarHBondContact O-N 3.29Å; I137-T139 VanDerWaalsContact O-N 3.15Å
140	S	84	Confident	91.3	Very high	100 Å²	100	55.8 Å²	55.8	70%	0.699	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	-25.4	-173	60.7	0	0	0	0	114
141	K	88.2	Confident	91	Very high	136 Å²	136	56.8 Å²	56.8	59%	0.591	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	31.3	-177.5	-57.5	-154.9	-156.1	91.9	0	113.7	W131 E138	W131-K141 VanDerWaalsContact CD1-O 3.27Å; W131-K141 PolarHBondContact NE1-O 2.87Å; E138-K141 HydrophobicContact CG-CB 4.32Å; E138-K141 WeakPolarHBondContact OE1-CG 3.04Å; E138-K141 IonicContact OE1-NZ 2.7Å; E138-K141 PolarHBondContact OE1-NZ 2.85Å
142	R	92.6	Very high	90.8	Very high	62 Å²	62	60 Å²	60	23%	0.234	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	147.3	176	73.7	174.1	-179.2	-162.3	-12.1	111.6	M92 I129 F130	M92-R142 VanDerWaalsContact O-CZ 3.31Å; M92-R142 PolarHBondContact O-NH1 2.97Å; M92-R142 PolarHBondContact O-NH2 2.84Å; I129-R142 CarbonylContact O-C 3.57Å; I129-R142 WeakPolarHBondContact O-CA 3.36Å; I129-R142 WeakPolarHBondContact O-CB 3Å; F130-R142 HydrophobicContact CD1-CB 3.93Å; F130-R142 HydrophobicContact CE1-CB 3.98Å; F130-R142 HydrophobicContact CE1-CG 4.45Å; F130-R142 HydrophobicContact CG-CB 4.37Å; F130-R142 HydrophobicContact CZ-CB 4.46Å
143	H	94.7	Very high	90.8	Very high	35 Å²	35	60.5 Å²	60.5	16%	0.162	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	145.6	165.7	-170.3	50.6	0	0	0	110.3	F128 I129 W131 Q185	F128-H143 WeakPolarHBondContact CA-O 3.37Å; I129-H143 HydrophobicContact CB-CB 4.01Å; I129-H143 HydrophobicContact CG1-CB 4.49Å; I129-H143 PolarHBondContact N-O 2.97Å; I129-H143 PolarHBondContact O-N 2.96Å; W131-H143 HydrophobicContact CH2-CB 4.14Å; W131-H143 HydrophobicContact CZ2-CB 3.62Å; H143-Q185 PolarHBondContact CE1-OE1 3.29Å; H143-Q185 PolarHBondContact NE2-OE1 2.94Å
144	T	94.4	Very high	91.1	Very high	65 Å²	65	57.2 Å²	57.2	40%	0.399	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	122.3	174.7	-57.9	0	0	0	0	107.7	F128 N146	F128-T144 HydrophobicContact CD1-CG2 3.85Å; F128-T144 WeakPolarHBondContact CD1-OG1 3.14Å; F128-T144 HydrophobicContact CE1-CG2 3.58Å; T144-N146 PolarHBondContact O-N 2.82Å
145	M	92.9	Very high	91.6	Very high	10 Å²	10	56.3 Å²	56.3	5%	0.049	30%	0.299	C	S	.	.			trans	-63.8	137	174.4	-64.5	-160.1	173.8	0	0	109.8	V127 F147 F149 V166 C178	V127-M145 HydrophobicContact CB-CB 4.33Å; V127-M145 HydrophobicContact CB-CG 3.94Å; V127-M145 HydrophobicContact CB-SD 3.92Å; V127-M145 HydrophobicContact CG1-CE 4.05Å; V127-M145 HydrophobicContact CG1-CG 4.19Å; V127-M145 HydrophobicContact CG1-SD 4.06Å; V127-M145 HydrophobicContact CG2-SD 4.34Å; V127-M145 PolarHBondContact O-N 2.99Å; V127-M145 VanDerWaalsContact O-N 3.12Å; M145-F147 PolarHBondContact O-N 2.98Å; M145-F147 HydrophobicContact SD-CE2 4.32Å; M145-F147 HydrophobicContact SD-CZ 4.29Å; M145-F149 HydrophobicContact SD-CE2 3.57Å; M145-F149 VanDerWaalsContact SD-CE2 3.57Å; M145-F149 HydrophobicContact SD-CZ 3.81Å; M145-V166 HydrophobicContact CE-CB 3.72Å; M145-V166 HydrophobicContact CE-CG1 3.89Å; M145-V166 HydrophobicContact CE-CG2 3.62Å; M145-V166 HydrophobicContact SD-CG1 4.42Å; M145-C178 HydrophobicContact CE-CB 4.36Å
146	N	90.4	Very high	91.8	Very high	139 Å²	139	51.7 Å²	51.7	74%	0.743	28%	0.278	S	S	*	.	S	Bend	trans	-80.4	8.2	-174.4	63.1	-19.8	0	0	0	114.1	T144	T144-N146 PolarHBondContact O-N 2.82Å
147	F	92.4	Very high	91.7	Very high	49 Å²	49	50.3 Å²	50.3	22%	0.215	27%	0.268	C	S	.	.	S	Bend	trans	-143.6	169.8	175.8	52.2	-98.8	0	0	0	109.9	M145 F149 T170 V176 C178	M145-F147 PolarHBondContact O-N 2.98Å; M145-F147 HydrophobicContact SD-CE2 4.32Å; M145-F147 HydrophobicContact SD-CZ 4.29Å; F147-F149 HydrophobicContact CD2-CE2 4.23Å; F147-F149 HydrophobicContact CD2-CZ 4.46Å; F147-F149 HydrophobicContact CE2-CD2 4.47Å; F147-F149 HydrophobicContact CE2-CE1 4.28Å; F147-F149 AromaticContact CE2-CE2 3.7Å; F147-F149 HydrophobicContact CE2-CE2 3.7Å; F147-F149 AromaticContact CE2-CZ 3.6Å; F147-F149 HydrophobicContact CE2-CZ 3.6Å; F147-F149 HydrophobicContact CZ-CZ 4.45Å; F147-T170 HydrophobicContact CD2-CG2 3.43Å; F147-T170 VanDerWaalsContact CD2-CG2 3.43Å; F147-T170 HydrophobicContact CE2-CG2 3.48Å; F147-T170 VanDerWaalsContact CE2-CG2 3.48Å; F147-T170 HydrophobicContact CG-CG2 4.32Å; F147-T170 HydrophobicContact CZ-CG2 4.4Å; F147-V176 HydrophobicContact CE2-CG2 4.31Å; F147-V176 HydrophobicContact CZ-CG2 4.44Å; F147-C178 VanDerWaalsContact CZ-SG 3.6Å
148	T	94.1	Very high	91.4	Very high	29 Å²	29	50 Å²	50	18%	0.178	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	149.5	179.1	57.6	0	0	0	0	111.3	K124 T125 T170 T171	K124-T148 HydrophobicContact CB-CG2 4.31Å; T125-T148 CarbonylContact O-C 3.5Å; T125-T148 VanDerWaalsContact O-CA 3.28Å; T125-T148 WeakPolarHBondContact O-CA 3.33Å; T125-T148 WeakPolarHBondContact O-CB 3.29Å; T148-T170 CarbonylContact O-C 3.52Å; T148-T170 VanDerWaalsContact O-CA 3.3Å; T148-T170 WeakPolarHBondContact O-CA 3.2Å; T148-T171 PolarHBondContact O-N 3.36Å
149	F	93.4	Very high	91.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	156.4	171.1	-63.5	-98.6	0	0	0	111.3	T125 V127 M145 F147 D151 P153 V166 V169 T170 V176	T125-F149 PolarHBondContact N-O 2.92Å; T125-F149 PolarHBondContact O-N 2.9Å; V127-F149 HydrophobicContact CB-CE2 4.3Å; V127-F149 HydrophobicContact CG2-CD2 3.54Å; V127-F149 HydrophobicContact CG2-CE2 3.47Å; V127-F149 VanDerWaalsContact CG2-CE2 3.47Å; M145-F149 HydrophobicContact SD-CE2 3.57Å; M145-F149 VanDerWaalsContact SD-CE2 3.57Å; M145-F149 HydrophobicContact SD-CZ 3.81Å; F147-F149 HydrophobicContact CD2-CE2 4.23Å; F147-F149 HydrophobicContact CD2-CZ 4.46Å; F147-F149 HydrophobicContact CE2-CD2 4.47Å; F147-F149 HydrophobicContact CE2-CE1 4.28Å; F147-F149 AromaticContact CE2-CE2 3.7Å; F147-F149 HydrophobicContact CE2-CE2 3.7Å; F147-F149 AromaticContact CE2-CZ 3.6Å; F147-F149 HydrophobicContact CE2-CZ 3.6Å; F147-F149 HydrophobicContact CZ-CZ 4.45Å; F149-D151 WeakPolarHBondContact CB-O 3.44Å; F149-P153 HydrophobicContact CD1-CB 4.24Å; F149-P153 HydrophobicContact CE1-CB 4.16Å; F149-P153 HydrophobicContact CZ-CB 4.42Å; F149-V166 HydrophobicContact CE1-CG1 4.48Å; F149-V166 HydrophobicContact CZ-CG1 3.91Å; F149-V169 CarbonylContact C-O 3.49Å; F149-V169 VanDerWaalsContact CA-O 3.31Å; F149-V169 WeakPolarHBondContact CA-O 3.29Å; F149-T170 HydrophobicContact CD1-CG2 4.34Å; F149-T170 HydrophobicContact CE1-CG2 4.24Å; F149-V176 HydrophobicContact CE1-CG2 4.14Å
150	T	90.8	Very high	91.4	Very high	56 Å²	56	50.1 Å²	50.1	34%	0.344	28%	0.279	S	S	.	.	S	Bend	trans	-79	-22.5	174.9	51	0	0	0	0	112.6	V169	T150-V169 HydrophobicContact CG2-CG1 4.3Å; T150-V169 PolarHBondContact N-O 3.15Å; T150-V169 WeakPolarHBondContact OG1-CB 3.27Å; T150-V169 PolarHBondContact OG1-O 2.8Å
151	D	89.8	Confident	91.6	Very high	20 Å²	20	48.3 Å²	48.3	11%	0.107	26%	0.261	C	S	.	.	S	Bend	trans	-151.7	-176.3	177.1	-161.9	5.6	0	0	0	109.9	F149 T199 P200 H201	F149-D151 WeakPolarHBondContact CB-O 3.44Å; D151-T199 HydrophobicContact CB-CG2 4.26Å; D151-T199 WeakPolarHBondContact OD2-CA 3.4Å; D151-T199 WeakPolarHBondContact OD2-CB 3.36Å; D151-T199 VanDerWaalsContact OD2-CG2 3.31Å; D151-T199 WeakPolarHBondContact OD2-CG2 3.37Å; D151-T199 PolarHBondContact OD2-OG1 3.09Å; D151-T199 VanDerWaalsContact OD2-OG1 3.13Å; D151-P200 WeakPolarHBondContact OD2-CA 3.38Å; D151-H201 IonicContact OD2-CD2 2.79Å; D151-H201 PolarHBondContact OD2-N 3.18Å
152	Q	92.1	Very high	91.8	Very high	74 Å²	74	49.9 Å²	49.9	35%	0.346	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-61	127.8	173	-58.7	-174.8	5.8	0	0	110.8	T99 H201	T99-Q152 PolarHBondContact O-NE2 3.08Å; Q152-H201 PolarHBondContact O-CE1 2.81Å; Q152-H201 VanDerWaalsContact O-CE1 3.25Å; Q152-H201 PolarHBondContact O-NE2 3.33Å
153	P	94.3	Very high	91.8	Very high	16 Å²	16	48 Å²	48	10%	0.104	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-73.5	157.5	176.1	32.3	-36.6	0	0	0	112.4	T117 V127 F149 V166 F167	T117-P153 HydrophobicContact CG2-CG 4.15Å; V127-P153 HydrophobicContact CG2-CG 3.95Å; F149-P153 HydrophobicContact CD1-CB 4.24Å; F149-P153 HydrophobicContact CE1-CB 4.16Å; F149-P153 HydrophobicContact CZ-CB 4.42Å; P153-V166 HydrophobicContact CB-CG1 3.52Å; P153-V166 HydrophobicContact CG-CG1 3.85Å; P153-F167 CarbonylContact C-O 3.54Å; P153-F167 VanDerWaalsContact CA-O 3.26Å; P153-F167 WeakPolarHBondContact CA-O 3.32Å; P153-F167 WeakPolarHBondContact CB-O 3.42Å
154	L	95.2	Very high	91.9	Very high	27 Å²	27	47.6 Å²	47.6	14%	0.141	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	137	167.7	177.4	65.2	0	0	0	109.5	M156 F167 N203 F205 L217	L154-M156 HydrophobicContact CD2-SD 4.02Å; L154-F167 HydrophobicContact CB-CB 4.36Å; L154-F167 HydrophobicContact CB-CD1 4.05Å; L154-F167 HydrophobicContact CD2-CD1 4.25Å; L154-F167 PolarHBondContact N-O 2.87Å; L154-F167 PolarHBondContact O-N 2.82Å; L154-N203 HydrophobicContact CD2-CB 4.13Å; L154-F205 HydrophobicContact CD2-CB 4.49Å; L154-L217 HydrophobicContact CD2-CD1 3.74Å
155	V	95.4	Very high	91.9	Very high	39 Å²	39	44.5 Å²	44.5	24%	0.236	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.2	170.6	176.4	0	0	0	0	108.8	V102 Y106 L115 P164 D165	V102-V155 HydrophobicContact CB-CG2 4.23Å; V102-V155 HydrophobicContact CG1-CB 4.18Å; V102-V155 HydrophobicContact CG1-CG1 4.29Å; V102-V155 HydrophobicContact CG1-CG2 3.93Å; V102-V155 HydrophobicContact CG2-CG2 4.16Å; Y106-V155 HydrophobicContact CE1-CG1 4.28Å; Y106-V155 WeakPolarHBondContact OH-CG1 3.44Å; Y106-V155 WeakPolarHBondContact OH-CG2 3.38Å; L115-V155 HydrophobicContact CD1-CG2 4.25Å; V155-P164 HydrophobicContact CG1-CB 3.5Å; V155-D165 CarbonylContact C-O 3.49Å; V155-D165 VanDerWaalsContact CA-O 3.26Å; V155-D165 WeakPolarHBondContact CA-O 3.35Å
156	M	92.6	Very high	92	Very high	9 Å²	9	44 Å²	44	4%	0.044	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	156.1	-175.6	65	-167	-164.6	0	0	111.2	L154 F158 D165 F167 V177 F205 L217 F236	L154-M156 HydrophobicContact CD2-SD 4.02Å; M156-F158 HydrophobicContact CE-CB 3.97Å; M156-F158 HydrophobicContact CE-CD2 4.28Å; M156-F158 HydrophobicContact CE-CG 4.43Å; M156-F158 HydrophobicContact CG-CB 4.47Å; M156-F158 PolarHBondContact O-N 3.32Å; M156-D165 PolarHBondContact N-O 2.84Å; M156-D165 CarbonylContact O-C 3.59Å; M156-D165 VanDerWaalsContact O-CA 3.22Å; M156-D165 WeakPolarHBondContact O-CA 3.49Å; M156-D165 WeakPolarHBondContact O-CB 3.2Å; M156-D165 PolarHBondContact O-N 3.24Å; M156-F167 HydrophobicContact CE-CB 3.43Å; M156-F167 VanDerWaalsContact CE-CB 3.43Å; M156-F167 HydrophobicContact CE-CD2 4.11Å; M156-F167 HydrophobicContact CE-CG 3.92Å; M156-F167 HydrophobicContact SD-CB 3.78Å; M156-F167 HydrophobicContact SD-CG 4.32Å; M156-V177 HydrophobicContact CE-CG1 3.99Å; M156-V177 HydrophobicContact CE-CG2 3.84Å; M156-F205 HydrophobicContact CB-CB 3.86Å; M156-F205 HydrophobicContact CB-CD1 3.71Å; M156-F205 HydrophobicContact CB-CD2 4.41Å; M156-F205 HydrophobicContact CB-CE1 4.28Å; M156-F205 HydrophobicContact CB-CG 3.75Å; M156-F205 HydrophobicContact SD-CB 4.49Å; M156-F205 HydrophobicContact SD-CD2 4.15Å; M156-F205 HydrophobicContact SD-CG 4.34Å; M156-L217 HydrophobicContact SD-CD1 4.22Å; M156-F236 HydrophobicContact CE-CE2 4.45Å
157	D	90.3	Very high	92.2	Very high	49 Å²	49	37.4 Å²	37.4	26%	0.262	21%	0.211	S	C	.	.			trans	-91.5	93.2	170.4	177.4	4.7	0	0	0	108.9	N159 G160 D161 M162 F205	D157-N159 PolarHBondContact OD1-OD1 2.82Å; D157-G160 WeakPolarHBondContact OD1-CA 3.48Å; D157-G160 PolarHBondContact OD1-N 2.81Å; D157-G160 WeakPolarHBondContact OD2-CA 3.38Å; D157-D161 PolarHBondContact OD1-N 2.84Å; D157-D161 VanDerWaalsContact OD1-N 3.17Å; D157-M162 WeakPolarHBondContact OD2-CA 3.37Å; D157-M162 PolarHBondContact OD2-N 2.93Å; D157-F205 WeakPolarHBondContact O-CE1 3.3Å; D157-F205 VanDerWaalsContact O-CZ 3.29Å; D157-F205 WeakPolarHBondContact O-CZ 3.35Å
158	F	87.2	Confident	92.2	Very high	14 Å²	14	35.2 Å²	35.2	6%	0.061	20%	0.202	C	C	.	.	S	Bend	trans	-79.3	-37	-172	161.7	-106.1	0	0	0	112.4	M156 D165 V177 D190 G234 F236	M156-F158 HydrophobicContact CE-CB 3.97Å; M156-F158 HydrophobicContact CE-CD2 4.28Å; M156-F158 HydrophobicContact CE-CG 4.43Å; M156-F158 HydrophobicContact CG-CB 4.47Å; M156-F158 PolarHBondContact O-N 3.32Å; F158-D165 HydrophobicContact CB-CB 4.28Å; F158-D165 WeakPolarHBondContact CB-OD2 2.95Å; F158-D165 PolarHBondContact N-OD2 3.45Å; F158-V177 HydrophobicContact CB-CG1 3.8Å; F158-V177 HydrophobicContact CD1-CB 4.49Å; F158-V177 HydrophobicContact CD1-CG1 3.68Å; F158-V177 HydrophobicContact CD2-CG1 4.32Å; F158-V177 HydrophobicContact CE1-CG1 4.29Å; F158-V177 HydrophobicContact CG-CG1 3.67Å; F158-D190 WeakPolarHBondContact CZ-OD2 3.39Å; F158-G234 WeakPolarHBondContact CE2-O 3.12Å; F158-G234 WeakPolarHBondContact CZ-O 3.43Å; F158-F236 HydrophobicContact CD2-CD2 4.34Å; F158-F236 AromaticContact CD2-CE2 3.43Å; F158-F236 HydrophobicContact CD2-CE2 3.43Å; F158-F236 VanDerWaalsContact CD2-CE2 3.43Å; F158-F236 HydrophobicContact CD2-CZ 4.01Å; F158-F236 AromaticContact CE2-CD2 3.83Å; F158-F236 HydrophobicContact CE2-CD2 3.83Å; F158-F236 AromaticContact CE2-CE2 3.37Å; F158-F236 HydrophobicContact CE2-CE2 3.37Å; F158-F236 HydrophobicContact CE2-CZ 4.25Å
159	N	86.3	Confident	92.1	Very high	67 Å²	67	34.3 Å²	34.3	36%	0.358	20%	0.197	S	C	.	.	S	Bend	trans	-97.8	-4.2	-173.4	71	7.5	0	0	0	113.4	D157 D161	D157-N159 PolarHBondContact OD1-OD1 2.82Å; N159-D161 PolarHBondContact ND2-OD2 2.83Å; N159-D161 VanDerWaalsContact OD1-CB 3.28Å; N159-D161 WeakPolarHBondContact OD1-CB 3.43Å; N159-D161 PolarHBondContact OD1-N 3.25Å; N159-D161 PolarHBondContact OD1-OD1 3.13Å; N159-D161 VanDerWaalsContact OD1-OD1 3.04Å; N159-D161 PolarHBondContact OD1-OD2 3.23Å
160	G	87.3	Confident	92	Very high	56 Å²	56	34.7 Å²	34.7	58%	0.577	20%	0.199	S	C	*	.	S	Bend	trans	75.8	23.3	178.5	0	0	0	0	0	113.9	D157	D157-G160 WeakPolarHBondContact OD1-CA 3.48Å; D157-G160 PolarHBondContact OD1-N 2.81Å; D157-G160 WeakPolarHBondContact OD2-CA 3.38Å
161	D	90.3	Very high	91.8	Very high	62 Å²	62	34.4 Å²	34.4	33%	0.332	20%	0.197	S	C	.	.	S	Bend	trans	-93.2	3.4	-179.8	75.2	8.1	0	0	0	114	D157 N159 I163	D157-D161 PolarHBondContact OD1-N 2.84Å; D157-D161 VanDerWaalsContact OD1-N 3.17Å; N159-D161 PolarHBondContact ND2-OD2 2.83Å; N159-D161 VanDerWaalsContact OD1-CB 3.28Å; N159-D161 WeakPolarHBondContact OD1-CB 3.43Å; N159-D161 PolarHBondContact OD1-N 3.25Å; N159-D161 PolarHBondContact OD1-OD1 3.13Å; N159-D161 VanDerWaalsContact OD1-OD1 3.04Å; N159-D161 PolarHBondContact OD1-OD2 3.23Å; D161-I163 PolarHBondContact O-N 2.93Å; D161-I163 WeakPolarHBondContact OD1-CA 3.28Å; D161-I163 WeakPolarHBondContact OD1-CB 3.33Å; D161-I163 PolarHBondContact OD1-N 3.01Å
162	M	90.6	Very high	91.6	Very high	170 Å²	170	38.7 Å²	38.7	84%	0.837	23%	0.226	S	C	*	.	S	Bend	trans	67	9.4	-177	-52.5	179.9	179.5	0	0	114.8	D157	D157-M162 WeakPolarHBondContact OD2-CA 3.37Å; D157-M162 PolarHBondContact OD2-N 2.93Å
163	I	94.3	Very high	91.4	Very high	23 Å²	23	39.3 Å²	39.3	12%	0.118	24%	0.235	C	C	.	.	S	Bend	trans	-97.9	133.1	171.7	-56.8	177.1	0	0	0	108	D161 D165	D161-I163 PolarHBondContact O-N 2.93Å; D161-I163 WeakPolarHBondContact OD1-CA 3.28Å; D161-I163 WeakPolarHBondContact OD1-CB 3.33Å; D161-I163 PolarHBondContact OD1-N 3.01Å; I163-D165 PolarHBondContact O-N 2.68Å
164	P	95.5	Very high	91.2	Very high	25 Å²	25	42.4 Å²	42.4	16%	0.162	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-68.1	126.1	179.1	-17.3	30.6	0	0	0	112.5	D105 Y106 V155	D105-P164 WeakPolarHBondContact O-CD 3.31Å; Y106-P164 HydrophobicContact CD1-CB 3.97Å; Y106-P164 HydrophobicContact CD1-CG 4.46Å; Y106-P164 VanDerWaalsContact CD1-O 3.29Å; Y106-P164 WeakPolarHBondContact CD1-O 3.4Å; Y106-P164 HydrophobicContact CE1-CB 3.63Å; Y106-P164 HydrophobicContact CE1-CG 4.38Å; V155-P164 HydrophobicContact CG1-CB 3.5Å
165	D	94.4	Very high	91	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	166.3	174.1	-54.4	-40	0	0	0	111.5	V155 M156 F158 I163 V177 Y179	V155-D165 CarbonylContact C-O 3.49Å; V155-D165 VanDerWaalsContact CA-O 3.26Å; V155-D165 WeakPolarHBondContact CA-O 3.35Å; M156-D165 PolarHBondContact N-O 2.84Å; M156-D165 CarbonylContact O-C 3.59Å; M156-D165 VanDerWaalsContact O-CA 3.22Å; M156-D165 WeakPolarHBondContact O-CA 3.49Å; M156-D165 WeakPolarHBondContact O-CB 3.2Å; M156-D165 PolarHBondContact O-N 3.24Å; F158-D165 HydrophobicContact CB-CB 4.28Å; F158-D165 WeakPolarHBondContact CB-OD2 2.95Å; F158-D165 PolarHBondContact N-OD2 3.45Å; I163-D165 PolarHBondContact O-N 2.68Å; D165-V177 HydrophobicContact CB-CG1 4.49Å; D165-Y179 WeakPolarHBondContact OD1-CA 3.29Å; D165-Y179 WeakPolarHBondContact OD1-CB 3.25Å
166	V	95.6	Very high	90.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.2	-174.4	-176.6	0	0	0	0	110.6	L115 M145 F149 P153 V177 C178	L115-V166 HydrophobicContact CD1-CG2 3.63Å; M145-V166 HydrophobicContact CE-CB 3.72Å; M145-V166 HydrophobicContact CE-CG1 3.89Å; M145-V166 HydrophobicContact CE-CG2 3.62Å; M145-V166 HydrophobicContact SD-CG1 4.42Å; F149-V166 HydrophobicContact CE1-CG1 4.48Å; F149-V166 HydrophobicContact CZ-CG1 3.91Å; P153-V166 HydrophobicContact CB-CG1 3.52Å; P153-V166 HydrophobicContact CG-CG1 3.85Å; V166-V177 CarbonylContact O-C 3.55Å; V166-V177 WeakPolarHBondContact O-CA 3.34Å; V166-C178 PolarHBondContact N-O 2.72Å; V166-C178 PolarHBondContact O-N 2.9Å
167	F	94.1	Very high	90.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.3	176.1	169.9	-100.1	0	0	0	112	P153 L154 M156 T175 V176 V177 F191 M197 L217 L219	P153-F167 CarbonylContact C-O 3.54Å; P153-F167 VanDerWaalsContact CA-O 3.26Å; P153-F167 WeakPolarHBondContact CA-O 3.32Å; P153-F167 WeakPolarHBondContact CB-O 3.42Å; L154-F167 HydrophobicContact CB-CB 4.36Å; L154-F167 HydrophobicContact CB-CD1 4.05Å; L154-F167 HydrophobicContact CD2-CD1 4.25Å; L154-F167 PolarHBondContact N-O 2.87Å; L154-F167 PolarHBondContact O-N 2.82Å; M156-F167 HydrophobicContact CE-CB 3.43Å; M156-F167 VanDerWaalsContact CE-CB 3.43Å; M156-F167 HydrophobicContact CE-CD2 4.11Å; M156-F167 HydrophobicContact CE-CG 3.92Å; M156-F167 HydrophobicContact SD-CB 3.78Å; M156-F167 HydrophobicContact SD-CG 4.32Å; F167-T175 HydrophobicContact CD2-CG2 4.36Å; F167-T175 HydrophobicContact CE2-CG2 3.35Å; F167-T175 HydrophobicContact CZ-CG2 3.71Å; F167-V176 WeakPolarHBondContact CA-O 3.35Å; F167-V176 WeakPolarHBondContact CD2-O 3.29Å; F167-V177 HydrophobicContact CD2-CG2 3.72Å; F167-F191 HydrophobicContact CD2-CE2 4.18Å; F167-F191 HydrophobicContact CD2-CZ 4.46Å; F167-F191 HydrophobicContact CE2-CD2 4.29Å; F167-F191 AromaticContact CE2-CE2 3.48Å; F167-F191 HydrophobicContact CE2-CE2 3.48Å; F167-F191 VanDerWaalsContact CE2-CE2 3.48Å; F167-F191 AromaticContact CE2-CZ 3.61Å; F167-F191 HydrophobicContact CE2-CZ 3.61Å; F167-F191 HydrophobicContact CZ-CE2 4.44Å; F167-F191 HydrophobicContact CZ-CZ 4.23Å; F167-M197 HydrophobicContact CE1-CE 3.68Å; F167-M197 HydrophobicContact CZ-CE 3.49Å; F167-M197 VanDerWaalsContact CZ-CE 3.49Å; F167-L217 HydrophobicContact CD1-CD1 4.4Å; F167-L217 HydrophobicContact CE1-CD1 4.31Å; F167-L217 HydrophobicContact CE1-CD2 4.13Å; F167-L217 HydrophobicContact CE2-CD2 4Å; F167-L217 HydrophobicContact CZ-CD2 3.74Å; F167-L219 HydrophobicContact CE1-CD2 3.57Å; F167-L219 HydrophobicContact CZ-CD1 4.39Å; F167-L219 HydrophobicContact CZ-CD2 3.86Å
168	G	93.2	Very high	91	Very high	3 Å²	3	37 Å²	37	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.8	-171.3	171.4	0	0	0	0	0	114.1	T175 V176	G168-T175 WeakPolarHBondContact O-CA 3.07Å; G168-V176 PolarHBondContact N-O 3.39Å; G168-V176 VanDerWaalsContact N-O 3.07Å; G168-V176 PolarHBondContact O-N 2.98Å
169	V	92.1	Very high	91.2	Very high	11 Å²	11	37 Å²	37	7%	0.067	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.4	179.4	-180	0	0	0	0	110.3	F149 T150 T173 Q174 M197	F149-V169 CarbonylContact C-O 3.49Å; F149-V169 VanDerWaalsContact CA-O 3.31Å; F149-V169 WeakPolarHBondContact CA-O 3.29Å; T150-V169 HydrophobicContact CG2-CG1 4.3Å; T150-V169 PolarHBondContact N-O 3.15Å; T150-V169 WeakPolarHBondContact OG1-CB 3.27Å; T150-V169 PolarHBondContact OG1-O 2.8Å; V169-T173 HydrophobicContact CG1-CG2 3.84Å; V169-Q174 CarbonylContact C-O 3.58Å; V169-Q174 WeakPolarHBondContact CA-O 3.47Å; V169-M197 HydrophobicContact CG2-CE 4.17Å; V169-M197 HydrophobicContact CG2-CG 3.62Å
170	T	91.8	Very high	91.5	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.043	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	173.5	-175.1	67.5	0	0	0	0	113.2	F147 T148 F149 P172 T173 Q174 V176	F147-T170 HydrophobicContact CD2-CG2 3.43Å; F147-T170 VanDerWaalsContact CD2-CG2 3.43Å; F147-T170 HydrophobicContact CE2-CG2 3.48Å; F147-T170 VanDerWaalsContact CE2-CG2 3.48Å; F147-T170 HydrophobicContact CG-CG2 4.32Å; F147-T170 HydrophobicContact CZ-CG2 4.4Å; T148-T170 CarbonylContact O-C 3.52Å; T148-T170 VanDerWaalsContact O-CA 3.3Å; T148-T170 WeakPolarHBondContact O-CA 3.2Å; F149-T170 HydrophobicContact CD1-CG2 4.34Å; F149-T170 HydrophobicContact CE1-CG2 4.24Å; T170-P172 CarbonylContact C-O 3.55Å; T170-P172 CarbonylContact O-C 3.32Å; T170-P172 VanDerWaalsContact O-C 3.28Å; T170-P172 VanDerWaalsContact O-O 3.11Å; T170-P172 PolarHBondContact OG1-O 2.93Å; T170-P172 VanDerWaalsContact OG1-O 3.07Å; T170-T173 VanDerWaalsContact O-CA 3.26Å; T170-T173 WeakPolarHBondContact O-CA 3.21Å; T170-T173 PolarHBondContact O-N 3.19Å; T170-Q174 PolarHBondContact N-O 3.07Å; T170-Q174 PolarHBondContact OG1-O 3.23Å; T170-V176 HydrophobicContact CG2-CB 4.37Å; T170-V176 HydrophobicContact CG2-CG1 3.98Å; T170-V176 HydrophobicContact CG2-CG2 3.43Å; T170-V176 VanDerWaalsContact CG2-CG2 3.43Å
171	T	85.4	Confident	91.6	Very high	50 Å²	50	34.1 Å²	34.1	31%	0.307	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	115.3	168.1	-56.1	0	0	0	0	109.5	T148	T148-T171 PolarHBondContact O-N 3.36Å
172	P	86	Confident	91.5	Very high	110 Å²	110	39.5 Å²	39.5	71%	0.714	21%	0.212	S	C	*	.	S	Bend	cis	-67.6	155.4	4.2	30	-36.3	0	0	0	113.6	T170 Q174	T170-P172 CarbonylContact C-O 3.55Å; T170-P172 CarbonylContact O-C 3.32Å; T170-P172 VanDerWaalsContact O-C 3.28Å; T170-P172 VanDerWaalsContact O-O 3.11Å; T170-P172 PolarHBondContact OG1-O 2.93Å; T170-P172 VanDerWaalsContact OG1-O 3.07Å; P172-Q174 PolarHBondContact O-N 3.28Å
173	T	87.7	Confident	91.6	Very high	87 Å²	87	35.5 Å²	35.5	53%	0.534	19%	0.188	S	C	.	.	S	Bend	trans	-57.8	98.7	-167.9	-49.9	0	0	0	0	113.9	V169 T170 S194	V169-T173 HydrophobicContact CG1-CG2 3.84Å; T170-T173 VanDerWaalsContact O-CA 3.26Å; T170-T173 WeakPolarHBondContact O-CA 3.21Å; T170-T173 PolarHBondContact O-N 3.19Å; T173-S194 PolarHBondContact O-OG 2.96Å; T173-S194 VanDerWaalsContact O-OG 3.07Å
174	Q	89.7	Confident	91.4	Very high	82 Å²	82	39.8 Å²	39.8	38%	0.383	21%	0.21	S	C	.	.			trans	-139.7	133.6	174.1	-172	173.4	15.6	0	0	109.3	V169 T170 P172 V176 N189	V169-Q174 CarbonylContact C-O 3.58Å; V169-Q174 WeakPolarHBondContact CA-O 3.47Å; T170-Q174 PolarHBondContact N-O 3.07Å; T170-Q174 PolarHBondContact OG1-O 3.23Å; P172-Q174 PolarHBondContact O-N 3.28Å; Q174-V176 HydrophobicContact CB-CG1 4.33Å; Q174-V176 HydrophobicContact CG-CG1 3.91Å; Q174-N189 HydrophobicContact CG-CB 4.32Å; Q174-N189 VanDerWaalsContact NE2-CB 3.28Å; Q174-N189 PolarHBondContact NE2-ND2 2.68Å
175	T	90.7	Very high	91.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	125.1	169.9	-53.4	0	0	0	0	108	F167 G168 N189 F191 I195	F167-T175 HydrophobicContact CD2-CG2 4.36Å; F167-T175 HydrophobicContact CE2-CG2 3.35Å; F167-T175 HydrophobicContact CZ-CG2 3.71Å; G168-T175 WeakPolarHBondContact O-CA 3.07Å; T175-N189 PolarHBondContact O-OD1 2.92Å; T175-F191 HydrophobicContact CG2-CB 4.32Å; T175-F191 HydrophobicContact CG2-CD1 4.48Å; T175-F191 HydrophobicContact CG2-CD2 3.44Å; T175-F191 VanDerWaalsContact CG2-CD2 3.44Å; T175-F191 HydrophobicContact CG2-CE2 3.86Å; T175-F191 HydrophobicContact CG2-CG 3.82Å; T175-I195 PolarHBondContact OG1-N 3.29Å
176	V	91.9	Very high	91.3	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.055	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.4	-177.6	-57.1	0	0	0	0	110.8	F147 F149 F167 G168 T170 Q174 R188	F147-V176 HydrophobicContact CE2-CG2 4.31Å; F147-V176 HydrophobicContact CZ-CG2 4.44Å; F149-V176 HydrophobicContact CE1-CG2 4.14Å; F167-V176 WeakPolarHBondContact CA-O 3.35Å; F167-V176 WeakPolarHBondContact CD2-O 3.29Å; G168-V176 PolarHBondContact N-O 3.39Å; G168-V176 VanDerWaalsContact N-O 3.07Å; G168-V176 PolarHBondContact O-N 2.98Å; T170-V176 HydrophobicContact CG2-CB 4.37Å; T170-V176 HydrophobicContact CG2-CG1 3.98Å; T170-V176 HydrophobicContact CG2-CG2 3.43Å; T170-V176 VanDerWaalsContact CG2-CG2 3.43Å; Q174-V176 HydrophobicContact CB-CG1 4.33Å; Q174-V176 HydrophobicContact CG-CG1 3.91Å; V176-R188 WeakPolarHBondContact CA-O 3.47Å
177	V	92.1	Very high	91.1	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.8	161.7	-176	0	0	0	0	107	M156 F158 D165 V166 F167 C187 R188 F191	M156-V177 HydrophobicContact CE-CG1 3.99Å; M156-V177 HydrophobicContact CE-CG2 3.84Å; F158-V177 HydrophobicContact CB-CG1 3.8Å; F158-V177 HydrophobicContact CD1-CB 4.49Å; F158-V177 HydrophobicContact CD1-CG1 3.68Å; F158-V177 HydrophobicContact CD2-CG1 4.32Å; F158-V177 HydrophobicContact CE1-CG1 4.29Å; F158-V177 HydrophobicContact CG-CG1 3.67Å; D165-V177 HydrophobicContact CB-CG1 4.49Å; V166-V177 CarbonylContact O-C 3.55Å; V166-V177 WeakPolarHBondContact O-CA 3.34Å; F167-V177 HydrophobicContact CD2-CG2 3.72Å; V177-C187 CarbonylContact O-C 3.5Å; V177-C187 VanDerWaalsContact O-CA 3.27Å; V177-C187 WeakPolarHBondContact O-CA 3.37Å; V177-R188 PolarHBondContact N-O 2.89Å; V177-R188 PolarHBondContact O-N 2.73Å; V177-F191 HydrophobicContact CG2-CE2 4.21Å
178	C	93.9	Very high	90.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	120.4	178.6	-62.9	0	0	0	0	110	M145 F147 V166 Q185 E186 C187	M145-C178 HydrophobicContact CE-CB 4.36Å; F147-C178 VanDerWaalsContact CZ-SG 3.6Å; V166-C178 PolarHBondContact N-O 2.72Å; V166-C178 PolarHBondContact O-N 2.9Å; C178-Q185 HydrophobicContact CB-CG 4.41Å; C178-E186 CarbonylContact C-O 3.56Å; C178-E186 VanDerWaalsContact CA-O 3.27Å; C178-E186 WeakPolarHBondContact CA-O 3.34Å; C178-C187 HydrophobicContact CB-CB 4.14Å; C178-C187 WeakPolarHBondContact CB-SG 3.33Å; C178-C187 WeakPolarHBondContact SG-CB 3.14Å; C178-C187 CovalentContact SG-SG 2.04Å; C178-C187 PolarHBondContact SG-SG 2.72Å
179	Y	93.1	Very high	90.5	Very high	14 Å²	14	56.6 Å²	56.6	6%	0.055	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	157.7	177.3	55.7	-90.7	0	0	0	110.9	D165 E186 R188	D165-Y179 WeakPolarHBondContact OD1-CA 3.29Å; D165-Y179 WeakPolarHBondContact OD1-CB 3.25Å; Y179-E186 HydrophobicContact CD2-CB 4.15Å; Y179-E186 HydrophobicContact CE1-CB 4.16Å; Y179-E186 HydrophobicContact CE2-CB 3.51Å; Y179-E186 HydrophobicContact CE2-CG 4.16Å; Y179-E186 VanDerWaalsContact CE2-OE2 3.29Å; Y179-E186 WeakPolarHBondContact CE2-OE2 3.48Å; Y179-E186 VanDerWaalsContact CZ-CB 3.49Å; Y179-E186 VanDerWaalsContact CZ-OE2 3.28Å; Y179-E186 PolarHBondContact N-O 2.95Å; Y179-E186 PolarHBondContact O-N 3.25Å; Y179-E186 WeakPolarHBondContact OH-CB 3.46Å; Y179-E186 PolarHBondContact OH-OE2 2.76Å; Y179-R188 HydrophobicContact CE1-CG 4.17Å; Y179-R188 VanDerWaalsContact OH-CZ 3.26Å; Y179-R188 PolarHBondContact OH-NE 3.14Å; Y179-R188 PolarHBondContact OH-NH2 3.15Å
180	L	92.4	Very high	89.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.9	-179.9	-73.4	97.1	0	0	0	111	I129 W131 I184	I129-L180 HydrophobicContact CD1-CD1 3.83Å; I129-L180 HydrophobicContact CD1-CD2 3.84Å; W131-L180 HydrophobicContact CH2-CD2 3.87Å; L180-I184 WeakPolarHBondContact CA-O 3.31Å
181	T	89.5	Confident	88.8	Confident	63 Å²	63	58.7 Å²	58.7	39%	0.387	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.9	167.7	-52.9	0	0	0	0	109.2	R183 I184	T181-R183 VanDerWaalsContact C-N 3.33Å; T181-R183 PolarHBondContact O-N 3.15Å; T181-I184 PolarHBondContact N-O 3.46Å; T181-I184 VanDerWaalsContact O-CB 3.29Å; T181-I184 WeakPolarHBondContact O-CB 3.1Å; T181-I184 PolarHBondContact O-N 2.68Å
182	K	87.5	Confident	87.9	Confident	174 Å²	174	64.6 Å²	64.6	76%	0.757	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	49	179.8	-58.7	180	178.9	179.2	0	112.7	I184	K182-I184 PolarHBondContact O-N 3.35Å
183	R	91.9	Very high	87.3	Confident	87 Å²	87	67.6 Å²	67.6	33%	0.328	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	9.7	-175.1	-49.6	-177.9	-177.2	-166.6	-0.5	115.4	D107 W131 E138 T181	D107-R183 HydrophobicContact CB-CG 3.54Å; D107-R183 IonicContact OD2-CZ 3.08Å; D107-R183 IonicContact OD2-NE 2.72Å; D107-R183 PolarHBondContact OD2-NE 3.17Å; D107-R183 IonicContact OD2-NH2 3.71Å; D107-R183 PolarHBondContact OD2-NH2 2.79Å; W131-R183 VanDerWaalsContact CD1-NH1 3.32Å; W131-R183 HydrophobicContact CD2-CG 4.48Å; W131-R183 HydrophobicContact CE3-CG 4.45Å; W131-R183 HydrophobicContact CH2-CB 3.95Å; W131-R183 HydrophobicContact CH2-CG 3.73Å; W131-R183 HydrophobicContact CZ2-CB 3.78Å; W131-R183 HydrophobicContact CZ2-CG 3.69Å; W131-R183 HydrophobicContact CZ3-CG 4.12Å; E138-R183 IonicContact OE2-NH1 2.72Å; T181-R183 VanDerWaalsContact C-N 3.33Å; T181-R183 PolarHBondContact O-N 3.15Å
184	I	91.5	Very high	86.6	Confident	112 Å²	112	66 Å²	66	57%	0.574	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.8	174.7	-56.7	175.2	0	0	0	108.5	L180 T181 K182	L180-I184 WeakPolarHBondContact CA-O 3.31Å; T181-I184 PolarHBondContact N-O 3.46Å; T181-I184 VanDerWaalsContact O-CB 3.29Å; T181-I184 WeakPolarHBondContact O-CB 3.1Å; T181-I184 PolarHBondContact O-N 2.68Å; K182-I184 PolarHBondContact O-N 3.35Å
185	Q	93.4	Very high	86.4	Confident	43 Å²	43	62.6 Å²	62.6	20%	0.201	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130.4	178.2	179.9	-169.1	-51	0	0	111.4	H143 C178 C187	H143-Q185 PolarHBondContact CE1-OE1 3.29Å; H143-Q185 PolarHBondContact NE2-OE1 2.94Å; C178-Q185 HydrophobicContact CB-CG 4.41Å; Q185-C187 PolarHBondContact NE2-SG 3.4Å
186	E	93.4	Very high	86.2	Confident	88 Å²	88	67.5 Å²	67.5	41%	0.411	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.3	166.2	-67.8	-175.9	-170.9	0	0	109.1	C178 Y179	C178-E186 CarbonylContact C-O 3.56Å; C178-E186 VanDerWaalsContact CA-O 3.27Å; C178-E186 WeakPolarHBondContact CA-O 3.34Å; Y179-E186 HydrophobicContact CD2-CB 4.15Å; Y179-E186 HydrophobicContact CE1-CB 4.16Å; Y179-E186 HydrophobicContact CE2-CB 3.51Å; Y179-E186 HydrophobicContact CE2-CG 4.16Å; Y179-E186 VanDerWaalsContact CE2-OE2 3.29Å; Y179-E186 WeakPolarHBondContact CE2-OE2 3.48Å; Y179-E186 VanDerWaalsContact CZ-CB 3.49Å; Y179-E186 VanDerWaalsContact CZ-OE2 3.28Å; Y179-E186 PolarHBondContact N-O 2.95Å; Y179-E186 PolarHBondContact O-N 3.25Å; Y179-E186 WeakPolarHBondContact OH-CB 3.46Å; Y179-E186 PolarHBondContact OH-OE2 2.76Å
187	C	92.7	Very high	86.2	Confident	51 Å²	51	68 Å²	68	35%	0.345	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141	179.2	-61.2	0	0	0	0	111	V177 C178 Q185	V177-C187 CarbonylContact O-C 3.5Å; V177-C187 VanDerWaalsContact O-CA 3.27Å; V177-C187 WeakPolarHBondContact O-CA 3.37Å; C178-C187 HydrophobicContact CB-CB 4.14Å; C178-C187 WeakPolarHBondContact CB-SG 3.33Å; C178-C187 WeakPolarHBondContact SG-CB 3.14Å; C178-C187 CovalentContact SG-SG 2.04Å; C178-C187 PolarHBondContact SG-SG 2.72Å; Q185-C187 PolarHBondContact NE2-SG 3.4Å
188	R	89.3	Confident	86.2	Confident	129 Å²	129	70.3 Å²	70.3	49%	0.487	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	157.9	175.9	-58.9	-176.2	-173.1	-175.6	4.3	110.6	V176 V177 Y179	V176-R188 WeakPolarHBondContact CA-O 3.47Å; V177-R188 PolarHBondContact N-O 2.89Å; V177-R188 PolarHBondContact O-N 2.73Å; Y179-R188 HydrophobicContact CE1-CG 4.17Å; Y179-R188 VanDerWaalsContact OH-CZ 3.26Å; Y179-R188 PolarHBondContact OH-NE 3.14Å; Y179-R188 PolarHBondContact OH-NH2 3.15Å
189	N	84.8	Confident	85.9	Confident	70 Å²	70	74.5 Å²	74.5	37%	0.374	37%	0.367	S	S	.	.			trans	-119.5	91.1	171.4	175.4	20	0	0	0	108	Q174 T175 F191	Q174-N189 HydrophobicContact CG-CB 4.32Å; Q174-N189 VanDerWaalsContact NE2-CB 3.28Å; Q174-N189 PolarHBondContact NE2-ND2 2.68Å; T175-N189 PolarHBondContact O-OD1 2.92Å; N189-F191 VanDerWaalsContact C-N 3.29Å; N189-F191 PolarHBondContact OD1-N 3.06Å; N189-F191 PolarHBondContact OD1-O 2.82Å
190	D	73.1	Confident	85.8	Confident	59 Å²	59	75.1 Å²	75.1	32%	0.316	37%	0.373	S	S	.	.			trans	-91.7	4	-176.5	-61.8	-26.1	0	0	0	112	F158	F158-D190 WeakPolarHBondContact CZ-OD2 3.39Å
191	F	74.3	Confident	85.8	Confident	4 Å²	4	76.4 Å²	76.4	2%	0.018	38%	0.379	C	S	.	.			trans	-100.4	117.7	-179.9	-62.4	-92.1	0	0	0	110.7	F167 T175 V177 N189 K193 I195 L217 W229 F236	F167-F191 HydrophobicContact CD2-CE2 4.18Å; F167-F191 HydrophobicContact CD2-CZ 4.46Å; F167-F191 HydrophobicContact CE2-CD2 4.29Å; F167-F191 AromaticContact CE2-CE2 3.48Å; F167-F191 HydrophobicContact CE2-CE2 3.48Å; F167-F191 VanDerWaalsContact CE2-CE2 3.48Å; F167-F191 AromaticContact CE2-CZ 3.61Å; F167-F191 HydrophobicContact CE2-CZ 3.61Å; F167-F191 HydrophobicContact CZ-CE2 4.44Å; F167-F191 HydrophobicContact CZ-CZ 4.23Å; T175-F191 HydrophobicContact CG2-CB 4.32Å; T175-F191 HydrophobicContact CG2-CD1 4.48Å; T175-F191 HydrophobicContact CG2-CD2 3.44Å; T175-F191 VanDerWaalsContact CG2-CD2 3.44Å; T175-F191 HydrophobicContact CG2-CE2 3.86Å; T175-F191 HydrophobicContact CG2-CG 3.82Å; V177-F191 HydrophobicContact CG2-CE2 4.21Å; N189-F191 VanDerWaalsContact C-N 3.29Å; N189-F191 PolarHBondContact OD1-N 3.06Å; N189-F191 PolarHBondContact OD1-O 2.82Å; F191-K193 PolarHBondContact O-N 2.87Å; F191-I195 HydrophobicContact CD1-CD1 3.71Å; F191-I195 HydrophobicContact CE1-CD1 4.16Å; F191-I195 HydrophobicContact CG-CD1 4.41Å; F191-L217 HydrophobicContact CE1-CD2 3.98Å; F191-L217 HydrophobicContact CZ-CD2 3.61Å; F191-W229 HydrophobicContact CD1-CD2 4.2Å; F191-W229 AromaticContact CD1-CE3 3.76Å; F191-W229 HydrophobicContact CD1-CE3 3.76Å; F191-W229 AromaticContact CD1-CH2 3.81Å; F191-W229 HydrophobicContact CD1-CH2 3.81Å; F191-W229 HydrophobicContact CD1-CZ2 4.26Å; F191-W229 AromaticContact CD1-CZ3 3.55Å; F191-W229 HydrophobicContact CD1-CZ3 3.55Å; F191-W229 AromaticContact CE1-CD2 3.91Å; F191-W229 HydrophobicContact CE1-CD2 3.91Å; F191-W229 AromaticContact CE1-CE3 3.7Å; F191-W229 HydrophobicContact CE1-CE3 3.7Å; F191-W229 HydrophobicContact CE1-CG 4.43Å; F191-W229 HydrophobicContact CE1-CH2 4.48Å; F191-W229 HydrophobicContact CE1-CZ3 4.01Å; F191-F236 HydrophobicContact CE1-CB 4.21Å; F191-F236 HydrophobicContact CE1-CD2 4.45Å; F191-F236 HydrophobicContact CE2-CD2 4.42Å; F191-F236 HydrophobicContact CZ-CB 4.36Å; F191-F236 AromaticContact CZ-CD2 3.79Å; F191-F236 HydrophobicContact CZ-CD2 3.79Å; F191-F236 HydrophobicContact CZ-CE2 4.4Å; F191-F236 HydrophobicContact CZ-CG 4.29Å
192	N	66.6	Low	86	Confident	174 Å²	174	73.9 Å²	73.9	93%	0.93	36%	0.364	S	S	*	.	S	Bend	trans	-59.7	-15.7	-178.1	-77.6	-27.8	0	0	0	114.8
193	K	72.9	Confident	86.3	Confident	173 Å²	173	66.3 Å²	66.3	75%	0.752	33%	0.331	S	S	*	.	S	Bend	trans	-147.6	140.9	176.9	-172	179.8	178.8	-174.7	0	109.3	F191 I195	F191-K193 PolarHBondContact O-N 2.87Å; K193-I195 PolarHBondContact O-N 3.25Å
194	S	74.6	Confident	86.4	Confident	53 Å²	53	63 Å²	63	37%	0.371	32%	0.323	S	S	.	.			trans	-59.3	123.6	172.2	-56.2	0	0	0	0	110.2	T173	T173-S194 PolarHBondContact O-OG 2.96Å; T173-S194 VanDerWaalsContact O-OG 3.07Å
195	I	83.9	Confident	86.4	Confident	11 Å²	11	60.2 Å²	60.2	6%	0.056	31%	0.307	C	S	.	.			trans	-90.3	132	176.9	-55	173.6	0	0	0	107.8	T175 F191 K193 M197 L219 T221 W229	T175-I195 PolarHBondContact OG1-N 3.29Å; F191-I195 HydrophobicContact CD1-CD1 3.71Å; F191-I195 HydrophobicContact CE1-CD1 4.16Å; F191-I195 HydrophobicContact CG-CD1 4.41Å; K193-I195 PolarHBondContact O-N 3.25Å; I195-M197 HydrophobicContact CB-CE 4.07Å; I195-M197 HydrophobicContact CB-SD 4.5Å; I195-M197 HydrophobicContact CD1-CE 4.49Å; I195-M197 HydrophobicContact CG2-CE 3.95Å; I195-M197 HydrophobicContact CG2-SD 3.81Å; I195-L219 HydrophobicContact CD1-CD1 3.45Å; I195-L219 VanDerWaalsContact CD1-CD1 3.45Å; I195-L219 HydrophobicContact CG2-CD1 4.36Å; I195-T221 HydrophobicContact CG2-CG2 3.57Å; I195-W229 HydrophobicContact CD1-CH2 4Å; I195-W229 HydrophobicContact CD1-CZ2 3.34Å; I195-W229 HydrophobicContact CG1-CZ2 4.08Å
196	I	88	Confident	86.2	Confident	103 Å²	103	59.5 Å²	59.5	53%	0.528	30%	0.304	S	S	.	.			trans	-91.2	105.9	173.7	-52.9	176.9	0	0	0	107.5	T221 E222	I196-T221 WeakPolarHBondContact O-CA 3.28Å; I196-T221 WeakPolarHBondContact O-CB 2.88Å; I196-E222 HydrophobicContact CB-CB 4.48Å; I196-E222 HydrophobicContact CG2-CB 3.97Å; I196-E222 WeakPolarHBondContact CG2-OE2 3.36Å; I196-E222 PolarHBondContact O-N 2.86Å; I196-E222 VanDerWaalsContact O-N 3.07Å
197	M	91.1	Very high	85.9	Confident	19 Å²	19	56.9 Å²	56.9	9%	0.094	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-77.5	152.2	179.5	-58	-62	-175.3	0	0	110.5	F167 V169 I195 L219	F167-M197 HydrophobicContact CE1-CE 3.68Å; F167-M197 HydrophobicContact CZ-CE 3.49Å; F167-M197 VanDerWaalsContact CZ-CE 3.49Å; V169-M197 HydrophobicContact CG2-CE 4.17Å; V169-M197 HydrophobicContact CG2-CG 3.62Å; I195-M197 HydrophobicContact CB-CE 4.07Å; I195-M197 HydrophobicContact CB-SD 4.5Å; I195-M197 HydrophobicContact CD1-CE 4.49Å; I195-M197 HydrophobicContact CG2-CE 3.95Å; I195-M197 HydrophobicContact CG2-SD 3.81Å; M197-L219 HydrophobicContact CE-CD1 3.71Å; M197-L219 HydrophobicContact CE-CD2 3.71Å; M197-L219 HydrophobicContact CE-CG 4.23Å; M197-L219 HydrophobicContact SD-CB 4.27Å; M197-L219 HydrophobicContact SD-CD1 4.29Å; M197-L219 HydrophobicContact SD-CD2 4.11Å; M197-L219 HydrophobicContact SD-CG 4.47Å
198	R	91.6	Very high	85.4	Confident	50 Å²	50	56.5 Å²	56.5	19%	0.189	29%	0.287	C	S	.	.			trans	-66.3	152.9	164.1	-177.3	-178.3	168.5	-147.6	-2.5	109.7	H201 T220 I249 G250	R198-H201 WeakPolarHBondContact O-CA 3.06Å; R198-H201 VanDerWaalsContact O-CB 3.24Å; R198-H201 WeakPolarHBondContact O-CB 3.18Å; R198-H201 PolarHBondContact O-N 3.11Å; R198-T220 PolarHBondContact N-O 3Å; R198-I249 PolarHBondContact NH2-O 2.91Å; R198-G250 PolarHBondContact NH1-O 2.99Å
199	T	89.1	Confident	85	Confident	88 Å²	88	52.5 Å²	52.5	54%	0.54	28%	0.275	S	S	.	.	S	Bend	trans	-131.9	123.4	172.2	-66.3	0	0	0	0	110.9	D151	D151-T199 HydrophobicContact CB-CG2 4.26Å; D151-T199 WeakPolarHBondContact OD2-CA 3.4Å; D151-T199 WeakPolarHBondContact OD2-CB 3.36Å; D151-T199 VanDerWaalsContact OD2-CG2 3.31Å; D151-T199 WeakPolarHBondContact OD2-CG2 3.37Å; D151-T199 PolarHBondContact OD2-OG1 3.09Å; D151-T199 VanDerWaalsContact OD2-OG1 3.13Å
200	P	89.6	Confident	84.6	Confident	27 Å²	27	53.8 Å²	53.8	18%	0.175	28%	0.278	C	S	.	.	S	Bend	cis	-65.3	139.4	-11.5	29	-34.1	0	0	0	111.1	D151 P314	D151-P200 WeakPolarHBondContact OD2-CA 3.38Å; P200-P314 HydrophobicContact CG-CB 3.99Å; P200-P314 HydrophobicContact CG-CG 4.27Å
201	H	92.3	Very high	84.8	Confident	27 Å²	27	53.8 Å²	53.8	13%	0.125	28%	0.278	C	S	.	.			trans	-82.3	161.3	172.2	62.3	61.6	0	0	0	112.4	D151 Q152 R198 N203 T220 Q251	D151-H201 IonicContact OD2-CD2 2.79Å; D151-H201 PolarHBondContact OD2-N 3.18Å; Q152-H201 PolarHBondContact O-CE1 2.81Å; Q152-H201 VanDerWaalsContact O-CE1 3.25Å; Q152-H201 PolarHBondContact O-NE2 3.33Å; R198-H201 WeakPolarHBondContact O-CA 3.06Å; R198-H201 VanDerWaalsContact O-CB 3.24Å; R198-H201 WeakPolarHBondContact O-CB 3.18Å; R198-H201 PolarHBondContact O-N 3.11Å; H201-N203 PolarHBondContact CD2-ND2 3.34Å; H201-N203 VanDerWaalsContact CD2-ND2 3.26Å; H201-N203 VanDerWaalsContact CG-ND2 3.3Å; H201-N203 PolarHBondContact ND1-ND2 2.79Å; H201-N203 PolarHBondContact NE2-ND2 2.85Å; H201-T220 WeakPolarHBondContact CA-OG1 3.49Å; H201-T220 VanDerWaalsContact CB-OG1 3.25Å; H201-T220 WeakPolarHBondContact CB-OG1 3.45Å; H201-Q251 PolarHBondContact O-OE1 3.3Å
202	S	93.8	Very high	84.8	Confident	10 Å²	10	61.9 Å²	61.9	7%	0.07	31%	0.313	C	S	.	.			trans	-123.6	47.9	169.7	76.3	0	0	0	0	110.4	T220 Q251 S252	S202-T220 PolarHBondContact N-OG1 2.83Å; S202-T220 WeakPolarHBondContact OG-CG2 3.4Å; S202-Q251 VanDerWaalsContact CA-OE1 3.25Å; S202-Q251 VanDerWaalsContact CB-CD 3.48Å; S202-S252 WeakPolarHBondContact OG-CB 3.26Å; S202-S252 PolarHBondContact OG-N 2.9Å; S202-S252 PolarHBondContact OG-OG 3.33Å
203	N	94.8	Very high	85	Confident	14 Å²	14	59 Å²	59	8%	0.075	30%	0.302	C	S	.	.			trans	-64.8	147.5	179.4	-60.3	-21.8	0	0	0	110.1	L154 H201 F218 L219 T220	L154-N203 HydrophobicContact CD2-CB 4.13Å; H201-N203 PolarHBondContact CD2-ND2 3.34Å; H201-N203 VanDerWaalsContact CD2-ND2 3.26Å; H201-N203 VanDerWaalsContact CG-ND2 3.3Å; H201-N203 PolarHBondContact ND1-ND2 2.79Å; H201-N203 PolarHBondContact NE2-ND2 2.85Å; N203-F218 CarbonylContact C-O 3.5Å; N203-F218 WeakPolarHBondContact CA-O 3.18Å; N203-F218 WeakPolarHBondContact CB-O 3.39Å; N203-L219 HydrophobicContact CB-CD2 4.06Å; N203-L219 WeakPolarHBondContact OD1-CA 3.24Å; N203-T220 PolarHBondContact OD1-N 2.74Å; N203-T220 PolarHBondContact OD1-OG1 2.89Å
204	A	93.5	Very high	85.2	Confident	19 Å²	19	52.1 Å²	52.1	16%	0.157	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	153.4	-179.9	0	0	0	0	0	111.4	I206 F218 F254	A204-I206 HydrophobicContact CB-CG2 4.41Å; A204-F218 HydrophobicContact CB-CB 4.11Å; A204-F218 PolarHBondContact N-O 2.73Å; A204-F218 PolarHBondContact O-N 3.13Å; A204-F254 HydrophobicContact CB-CD2 4.14Å; A204-F254 HydrophobicContact CB-CE2 3.84Å
205	F	92.3	Very high	85.7	Confident	53 Å²	53	50.8 Å²	50.8	23%	0.232	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	100.5	173.7	-173.7	-120.3	0	0	0	108.3	L154 M156 D157 A215 D216 F236	L154-F205 HydrophobicContact CD2-CB 4.49Å; M156-F205 HydrophobicContact CB-CB 3.86Å; M156-F205 HydrophobicContact CB-CD1 3.71Å; M156-F205 HydrophobicContact CB-CD2 4.41Å; M156-F205 HydrophobicContact CB-CE1 4.28Å; M156-F205 HydrophobicContact CB-CG 3.75Å; M156-F205 HydrophobicContact SD-CB 4.49Å; M156-F205 HydrophobicContact SD-CD2 4.15Å; M156-F205 HydrophobicContact SD-CG 4.34Å; D157-F205 WeakPolarHBondContact O-CE1 3.3Å; D157-F205 VanDerWaalsContact O-CZ 3.29Å; D157-F205 WeakPolarHBondContact O-CZ 3.35Å; F205-A215 HydrophobicContact CD1-CB 3.59Å; F205-A215 HydrophobicContact CD2-CB 3.91Å; F205-A215 HydrophobicContact CE1-CB 3.5Å; F205-A215 HydrophobicContact CE2-CB 3.79Å; F205-A215 WeakPolarHBondContact CE2-O 3.2Å; F205-A215 HydrophobicContact CG-CB 3.81Å; F205-A215 HydrophobicContact CZ-CB 3.61Å; F205-D216 CarbonylContact C-O 3.55Å; F205-D216 VanDerWaalsContact CA-O 3.31Å; F205-D216 WeakPolarHBondContact CA-O 3.48Å; F205-D216 WeakPolarHBondContact CD2-O 3.35Å; F205-F236 HydrophobicContact CE2-CE1 4.33Å; F205-F236 AromaticContact CE2-CZ 3.93Å; F205-F236 HydrophobicContact CE2-CZ 3.93Å
206	I	89.3	Confident	85.9	Confident	27 Å²	27	50.3 Å²	50.3	14%	0.138	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	145.2	-165.2	-162	169.5	0	0	0	110.7	A204 L208 D216 F254	A204-I206 HydrophobicContact CB-CG2 4.41Å; I206-L208 HydrophobicContact CG2-CD1 4.36Å; I206-L208 HydrophobicContact CG2-CD2 3.69Å; I206-L208 HydrophobicContact CG2-CG 3.79Å; I206-L208 PolarHBondContact O-N 2.97Å; I206-L208 VanDerWaalsContact O-N 3.08Å; I206-D216 PolarHBondContact N-O 2.66Å; I206-D216 CarbonylContact O-C 3.59Å; I206-D216 WeakPolarHBondContact O-CA 3.27Å; I206-D216 WeakPolarHBondContact O-CB 3.33Å; I206-D216 PolarHBondContact O-N 2.89Å; I206-D216 VanDerWaalsContact O-O 3.07Å; I206-F254 HydrophobicContact CD1-CB 3.45Å; I206-F254 VanDerWaalsContact CD1-CB 3.45Å; I206-F254 HydrophobicContact CD1-CD2 4.21Å; I206-F254 HydrophobicContact CD1-CG 3.84Å
207	D	85.6	Confident	86.1	Confident	33 Å²	33	45.4 Å²	45.4	18%	0.176	24%	0.242	C	C	.	.			trans	-70.2	103.3	178	175.9	5.1	0	0	0	110.8	N209 K210 F212	D207-N209 PolarHBondContact OD1-N 3.36Å; D207-N209 PolarHBondContact OD1-OD1 2.83Å; D207-K210 WeakPolarHBondContact OD1-CA 3.4Å; D207-K210 PolarHBondContact OD1-N 3.41Å; D207-F212 WeakPolarHBondContact OD2-CA 3.34Å; D207-F212 PolarHBondContact OD2-N 3.16Å; D207-F212 VanDerWaalsContact OD2-N 3.08Å
208	L	83.3	Confident	86.3	Confident	43 Å²	43	44.8 Å²	44.8	23%	0.225	24%	0.239	C	C	.	.			trans	-97.2	-28	-179.8	-65.8	173	0	0	0	111.6	I206 D216 F218 T228 F254	I206-L208 HydrophobicContact CG2-CD1 4.36Å; I206-L208 HydrophobicContact CG2-CD2 3.69Å; I206-L208 HydrophobicContact CG2-CG 3.79Å; I206-L208 PolarHBondContact O-N 2.97Å; I206-L208 VanDerWaalsContact O-N 3.08Å; L208-D216 WeakPolarHBondContact CA-OD2 3.45Å; L208-D216 HydrophobicContact CB-CB 4.14Å; L208-D216 HydrophobicContact CD1-CB 4.32Å; L208-D216 HydrophobicContact CG-CB 4.32Å; L208-D216 PolarHBondContact N-OD2 2.76Å; L208-F218 HydrophobicContact CD1-CB 4Å; L208-F218 HydrophobicContact CD1-CD2 4.15Å; L208-T228 HydrophobicContact CB-CG2 4.04Å; L208-T228 HydrophobicContact CD1-CG2 3.6Å; L208-T228 HydrophobicContact CG-CG2 4.49Å; L208-F254 HydrophobicContact CD2-CE1 4.24Å
209	N	80.7	Confident	86.4	Confident	45 Å²	45	42.4 Å²	42.4	24%	0.241	23%	0.23	C	C	.	.	S	Bend	trans	-93.5	-2.6	-171.4	77	20	0	0	0	114.9	D207 D211 D216 L230	D207-N209 PolarHBondContact OD1-N 3.36Å; D207-N209 PolarHBondContact OD1-OD1 2.83Å; N209-D211 VanDerWaalsContact C-N 3.3Å; N209-D211 PolarHBondContact ND2-OD2 3.04Å; N209-D211 PolarHBondContact O-N 3.37Å; N209-D211 WeakPolarHBondContact OD1-CB 3.24Å; N209-D211 PolarHBondContact OD1-N 2.92Å; N209-D211 PolarHBondContact OD1-OD1 3.28Å; N209-D211 PolarHBondContact OD1-OD2 3.16Å; N209-D211 VanDerWaalsContact OD1-OD2 3.04Å; N209-D216 VanDerWaalsContact CB-OD2 3.25Å; N209-D216 WeakPolarHBondContact CB-OD2 3.34Å; N209-D216 PolarHBondContact N-OD2 3.38Å; N209-D216 PolarHBondContact ND2-OD1 2.96Å; N209-D216 PolarHBondContact ND2-OD2 2.03Å; N209-L230 HydrophobicContact CB-CD2 3.54Å
210	K	75.6	Confident	86.7	Confident	97 Å²	97	38.3 Å²	38.3	42%	0.422	21%	0.205	S	C	.	.	S	Bend	trans	71.3	19.1	173.9	-20.3	-162.1	168.6	-162.6	0	114.3	D207 F212 R285	D207-K210 WeakPolarHBondContact OD1-CA 3.4Å; D207-K210 PolarHBondContact OD1-N 3.41Å; K210-F212 VanDerWaalsContact C-N 3.34Å; K210-F212 WeakPolarHBondContact O-CD2 3.19Å; K210-R285 VanDerWaalsContact NZ-CD 3.29Å
211	D	77.8	Confident	86.8	Confident	60 Å²	60	37.4 Å²	37.4	32%	0.321	20%	0.199	S	C	.	.			trans	-84.1	-11.6	-177.9	73.6	28.6	0	0	0	113.5	N209 T213 A214	N209-D211 VanDerWaalsContact C-N 3.3Å; N209-D211 PolarHBondContact ND2-OD2 3.04Å; N209-D211 PolarHBondContact O-N 3.37Å; N209-D211 WeakPolarHBondContact OD1-CB 3.24Å; N209-D211 PolarHBondContact OD1-N 2.92Å; N209-D211 PolarHBondContact OD1-OD1 3.28Å; N209-D211 PolarHBondContact OD1-OD2 3.16Å; N209-D211 VanDerWaalsContact OD1-OD2 3.04Å; D211-T213 WeakPolarHBondContact O-CG2 3.31Å; D211-T213 PolarHBondContact O-N 3.2Å; D211-T213 WeakPolarHBondContact OD1-CA 3.27Å; D211-T213 WeakPolarHBondContact OD1-CB 3.48Å; D211-T213 PolarHBondContact OD1-N 2.79Å; D211-T213 PolarHBondContact OD1-OG1 2.88Å; D211-T213 PolarHBondContact OD2-OG1 2.8Å; D211-A214 PolarHBondContact OD1-N 3.4Å
212	F	74.8	Confident	86.5	Confident	174 Å²	174	42.4 Å²	42.4	76%	0.763	22%	0.222	S	C	*	.	S	Bend	trans	54.4	15.2	-178.2	-57.8	-80.7	0	0	0	114	D207 K210	D207-F212 WeakPolarHBondContact OD2-CA 3.34Å; D207-F212 PolarHBondContact OD2-N 3.16Å; D207-F212 VanDerWaalsContact OD2-N 3.08Å; K210-F212 VanDerWaalsContact C-N 3.34Å; K210-F212 WeakPolarHBondContact O-CD2 3.19Å
213	T	71.3	Confident	86.1	Confident	113 Å²	113	45.2 Å²	45.2	69%	0.693	25%	0.253	S	S	*	.	S	Bend	trans	-100.1	-48.6	-176.2	64.2	0	0	0	0	112	D211	D211-T213 WeakPolarHBondContact O-CG2 3.31Å; D211-T213 PolarHBondContact O-N 3.2Å; D211-T213 WeakPolarHBondContact OD1-CA 3.27Å; D211-T213 WeakPolarHBondContact OD1-CB 3.48Å; D211-T213 PolarHBondContact OD1-N 2.79Å; D211-T213 PolarHBondContact OD1-OG1 2.88Å; D211-T213 PolarHBondContact OD2-OG1 2.8Å
214	A	75.8	Confident	85.6	Confident	29 Å²	29	45.1 Å²	45.1	24%	0.24	26%	0.255	C	S	.	.	S	Bend	trans	-144	149.5	179.3	0	0	0	0	0	109.7	D211 N231	D211-A214 PolarHBondContact OD1-N 3.4Å; A214-N231 HydrophobicContact CB-CB 4.1Å
215	A	84.9	Confident	85.6	Confident	25 Å²	25	46.3 Å²	46.3	21%	0.207	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-67.9	141.3	170.4	0	0	0	0	0	110.3	F205 N231	F205-A215 HydrophobicContact CD1-CB 3.59Å; F205-A215 HydrophobicContact CD2-CB 3.91Å; F205-A215 HydrophobicContact CE1-CB 3.5Å; F205-A215 HydrophobicContact CE2-CB 3.79Å; F205-A215 WeakPolarHBondContact CE2-O 3.2Å; F205-A215 HydrophobicContact CG-CB 3.81Å; F205-A215 HydrophobicContact CZ-CB 3.61Å; A215-N231 WeakPolarHBondContact O-CB 3.49Å; A215-N231 PolarHBondContact O-ND2 2.93Å
216	D	89.8	Confident	85.6	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	165.9	173.3	-60.7	-54.5	0	0	0	110	F205 I206 L208 N209 W229 L230 N231	F205-D216 CarbonylContact C-O 3.55Å; F205-D216 VanDerWaalsContact CA-O 3.31Å; F205-D216 WeakPolarHBondContact CA-O 3.48Å; F205-D216 WeakPolarHBondContact CD2-O 3.35Å; I206-D216 PolarHBondContact N-O 2.66Å; I206-D216 CarbonylContact O-C 3.59Å; I206-D216 WeakPolarHBondContact O-CA 3.27Å; I206-D216 WeakPolarHBondContact O-CB 3.33Å; I206-D216 PolarHBondContact O-N 2.89Å; I206-D216 VanDerWaalsContact O-O 3.07Å; L208-D216 WeakPolarHBondContact CA-OD2 3.45Å; L208-D216 HydrophobicContact CB-CB 4.14Å; L208-D216 HydrophobicContact CD1-CB 4.32Å; L208-D216 HydrophobicContact CG-CB 4.32Å; L208-D216 PolarHBondContact N-OD2 2.76Å; N209-D216 VanDerWaalsContact CB-OD2 3.25Å; N209-D216 WeakPolarHBondContact CB-OD2 3.34Å; N209-D216 PolarHBondContact N-OD2 3.38Å; N209-D216 PolarHBondContact ND2-OD1 2.96Å; N209-D216 PolarHBondContact ND2-OD2 2.03Å; D216-W229 WeakPolarHBondContact CB-O 3.23Å; D216-L230 VanDerWaalsContact OD1-CA 3.22Å; D216-L230 WeakPolarHBondContact OD1-CA 3.37Å; D216-N231 PolarHBondContact OD1-N 2.85Å
217	L	92.1	Very high	85.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.2	178.8	-179.6	70.6	0	0	0	110.6	L154 M156 F167 F191 L219 W229 F236	L154-L217 HydrophobicContact CD2-CD1 3.74Å; M156-L217 HydrophobicContact SD-CD1 4.22Å; F167-L217 HydrophobicContact CD1-CD1 4.4Å; F167-L217 HydrophobicContact CE1-CD1 4.31Å; F167-L217 HydrophobicContact CE1-CD2 4.13Å; F167-L217 HydrophobicContact CE2-CD2 4Å; F167-L217 HydrophobicContact CZ-CD2 3.74Å; F191-L217 HydrophobicContact CE1-CD2 3.98Å; F191-L217 HydrophobicContact CZ-CD2 3.61Å; L217-L219 HydrophobicContact CD1-CD2 3.84Å; L217-L219 HydrophobicContact CD2-CD1 4.07Å; L217-L219 HydrophobicContact CD2-CD2 3.78Å; L217-L219 HydrophobicContact CD2-CG 4.03Å; L217-L219 HydrophobicContact CG-CD1 4.44Å; L217-L219 HydrophobicContact CG-CD2 3.61Å; L217-L219 HydrophobicContact CG-CG 3.87Å; L217-W229 HydrophobicContact CB-CB 4.03Å; L217-W229 PolarHBondContact N-O 3.12Å; L217-W229 PolarHBondContact O-N 2.87Å; L217-F236 HydrophobicContact CB-CD1 4.08Å; L217-F236 HydrophobicContact CB-CE1 3.6Å; L217-F236 HydrophobicContact CB-CZ 3.96Å
218	F	94.2	Very high	86.1	Confident	7 Å²	7	43.4 Å²	43.4	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.3	170	-176.2	-97.2	0	0	0	109.8	N203 A204 L208 T220 F226 F254 H265	N203-F218 CarbonylContact C-O 3.5Å; N203-F218 WeakPolarHBondContact CA-O 3.18Å; N203-F218 WeakPolarHBondContact CB-O 3.39Å; A204-F218 HydrophobicContact CB-CB 4.11Å; A204-F218 PolarHBondContact N-O 2.73Å; A204-F218 PolarHBondContact O-N 3.13Å; L208-F218 HydrophobicContact CD1-CB 4Å; L208-F218 HydrophobicContact CD1-CD2 4.15Å; F218-T220 HydrophobicContact CD1-CG2 4.5Å; F218-T220 HydrophobicContact CE1-CG2 3.79Å; F218-F226 AromaticContact CE1-CD1 3.93Å; F218-F226 HydrophobicContact CE1-CD1 3.93Å; F218-F226 HydrophobicContact CE2-CB 3.71Å; F218-F226 HydrophobicContact CE2-CD1 4.35Å; F218-F226 HydrophobicContact CE2-CG 4.17Å; F218-F226 HydrophobicContact CZ-CB 3.61Å; F218-F226 AromaticContact CZ-CD1 3.39Å; F218-F226 HydrophobicContact CZ-CD1 3.39Å; F218-F226 HydrophobicContact CZ-CE1 4.18Å; F218-F226 AromaticContact CZ-CG 3.61Å; F218-F226 HydrophobicContact CZ-CG 3.61Å; F218-F254 HydrophobicContact CB-CE2 4.48Å; F218-F254 HydrophobicContact CB-CZ 4.3Å; F218-F254 AromaticContact CD1-CE2 3.93Å; F218-F254 HydrophobicContact CD1-CE2 3.93Å; F218-F254 AromaticContact CD1-CZ 3.76Å; F218-F254 HydrophobicContact CD1-CZ 3.76Å; F218-F254 HydrophobicContact CD2-CE1 4.41Å; F218-F254 AromaticContact CD2-CZ 3.65Å; F218-F254 HydrophobicContact CD2-CZ 3.65Å; F218-F254 HydrophobicContact CE1-CE2 4.27Å; F218-F254 AromaticContact CE1-CZ 3.91Å; F218-F254 HydrophobicContact CE1-CZ 3.91Å; F218-F254 HydrophobicContact CE2-CE1 4.45Å; F218-F254 AromaticContact CE2-CZ 3.78Å; F218-F254 HydrophobicContact CE2-CZ 3.78Å; F218-F254 HydrophobicContact CG-CE2 4.06Å; F218-F254 AromaticContact CG-CZ 3.62Å; F218-F254 HydrophobicContact CG-CZ 3.62Å; F218-F254 AromaticContact CZ-CZ 3.9Å; F218-F254 HydrophobicContact CZ-CZ 3.9Å; F218-H265 AromaticContact CZ-CE1 3.5Å; F218-H265 VanDerWaalsContact CZ-CE1 3.5Å; F218-H265 WeakPolarHBondContact CZ-CE1 3.3Å
219	L	94.3	Very high	86.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.5	-179.3	-61.3	-178.8	0	0	0	112.1	F167 I195 M197 N203 L217 T221 F226 E227 W229	F167-L219 HydrophobicContact CE1-CD2 3.57Å; F167-L219 HydrophobicContact CZ-CD1 4.39Å; F167-L219 HydrophobicContact CZ-CD2 3.86Å; I195-L219 HydrophobicContact CD1-CD1 3.45Å; I195-L219 VanDerWaalsContact CD1-CD1 3.45Å; I195-L219 HydrophobicContact CG2-CD1 4.36Å; M197-L219 HydrophobicContact CE-CD1 3.71Å; M197-L219 HydrophobicContact CE-CD2 3.71Å; M197-L219 HydrophobicContact CE-CG 4.23Å; M197-L219 HydrophobicContact SD-CB 4.27Å; M197-L219 HydrophobicContact SD-CD1 4.29Å; M197-L219 HydrophobicContact SD-CD2 4.11Å; M197-L219 HydrophobicContact SD-CG 4.47Å; N203-L219 HydrophobicContact CB-CD2 4.06Å; N203-L219 WeakPolarHBondContact OD1-CA 3.24Å; L217-L219 HydrophobicContact CD1-CD2 3.84Å; L217-L219 HydrophobicContact CD2-CD1 4.07Å; L217-L219 HydrophobicContact CD2-CD2 3.78Å; L217-L219 HydrophobicContact CD2-CG 4.03Å; L217-L219 HydrophobicContact CG-CD1 4.44Å; L217-L219 HydrophobicContact CG-CD2 3.61Å; L217-L219 HydrophobicContact CG-CG 3.87Å; L219-T221 HydrophobicContact CB-CG2 4.4Å; L219-F226 CarbonylContact O-C 3.59Å; L219-F226 WeakPolarHBondContact O-CA 3.12Å; L219-E227 HydrophobicContact CB-CB 4.34Å; L219-E227 PolarHBondContact N-O 2.72Å; L219-E227 PolarHBondContact O-N 3.26Å; L219-W229 HydrophobicContact CD1-CG 4.38Å
220	T	94.1	Very high	86.9	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	117.3	165.9	60.5	0	0	0	0	110.1	R198 H201 S202 N203 F218 F226	R198-T220 PolarHBondContact N-O 3Å; H201-T220 WeakPolarHBondContact CA-OG1 3.49Å; H201-T220 VanDerWaalsContact CB-OG1 3.25Å; H201-T220 WeakPolarHBondContact CB-OG1 3.45Å; S202-T220 PolarHBondContact N-OG1 2.83Å; S202-T220 WeakPolarHBondContact OG-CG2 3.4Å; N203-T220 PolarHBondContact OD1-N 2.74Å; N203-T220 PolarHBondContact OD1-OG1 2.89Å; F218-T220 HydrophobicContact CD1-CG2 4.5Å; F218-T220 HydrophobicContact CE1-CG2 3.79Å; T220-F226 HydrophobicContact CG2-CD1 3.91Å; T220-F226 HydrophobicContact CG2-CE1 3.94Å
221	T	92.4	Very high	87.4	Confident	8 Å²	8	38.8 Å²	38.8	5%	0.049	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	162.9	-175.8	60.9	0	0	0	0	112	I195 I196 L219 G224 N225 E227	I195-T221 HydrophobicContact CG2-CG2 3.57Å; I196-T221 WeakPolarHBondContact O-CA 3.28Å; I196-T221 WeakPolarHBondContact O-CB 2.88Å; L219-T221 HydrophobicContact CB-CG2 4.4Å; T221-G224 PolarHBondContact O-N 2.92Å; T221-N225 PolarHBondContact N-O 3.13Å; T221-N225 WeakPolarHBondContact OG1-CB 3.42Å; T221-N225 PolarHBondContact OG1-O 2.78Å; T221-E227 HydrophobicContact CG2-CG 3.83Å
222	E	87.2	Confident	87.7	Confident	132 Å²	132	43.2 Å²	43.2	62%	0.617	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	143.1	175.8	-167.8	178.7	-156.3	0	0	111.1	I196	I196-E222 HydrophobicContact CB-CB 4.48Å; I196-E222 HydrophobicContact CG2-CB 3.97Å; I196-E222 WeakPolarHBondContact CG2-OE2 3.36Å; I196-E222 PolarHBondContact O-N 2.86Å; I196-E222 VanDerWaalsContact O-N 3.07Å
223	G	83.7	Confident	87.7	Confident	69 Å²	69	42.5 Å²	42.5	71%	0.711	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.9	9.7	-173.7	0	0	0	0	0	114.6
224	G	86.1	Confident	87.9	Confident	13 Å²	13	38.1 Å²	38.1	13%	0.134	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	29.6	173	0	0	0	0	0	113.3	T221 S244	T221-G224 PolarHBondContact O-N 2.92Å; G224-S244 WeakPolarHBondContact O-CB 3.24Å; G224-S244 PolarHBondContact O-N 3.5Å; G224-S244 PolarHBondContact O-OG 3.32Å
225	N	92.1	Very high	88.2	Confident	43 Å²	43	39.4 Å²	39.4	23%	0.23	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	153.5	175.6	-61.1	-55.5	0	0	0	111	T221 V241 V242 S243	T221-N225 PolarHBondContact N-O 3.13Å; T221-N225 WeakPolarHBondContact OG1-CB 3.42Å; T221-N225 PolarHBondContact OG1-O 2.78Å; N225-V241 HydrophobicContact CB-CG1 4.21Å; N225-V242 CarbonylContact C-O 3.57Å; N225-V242 WeakPolarHBondContact CA-O 3.48Å; N225-S243 WeakPolarHBondContact OD1-CB 3.37Å; N225-S243 PolarHBondContact OD1-OG 2.74Å
226	F	93.3	Very high	88.2	Confident	5 Å²	5	38.9 Å²	38.9	2%	0.022	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.9	176.1	-54.5	-55.5	0	0	0	108.3	F218 L219 T220 V241 V242 I249 L267 W290	F218-F226 AromaticContact CE1-CD1 3.93Å; F218-F226 HydrophobicContact CE1-CD1 3.93Å; F218-F226 HydrophobicContact CE2-CB 3.71Å; F218-F226 HydrophobicContact CE2-CD1 4.35Å; F218-F226 HydrophobicContact CE2-CG 4.17Å; F218-F226 HydrophobicContact CZ-CB 3.61Å; F218-F226 AromaticContact CZ-CD1 3.39Å; F218-F226 HydrophobicContact CZ-CD1 3.39Å; F218-F226 HydrophobicContact CZ-CE1 4.18Å; F218-F226 AromaticContact CZ-CG 3.61Å; F218-F226 HydrophobicContact CZ-CG 3.61Å; L219-F226 CarbonylContact O-C 3.59Å; L219-F226 WeakPolarHBondContact O-CA 3.12Å; T220-F226 HydrophobicContact CG2-CD1 3.91Å; T220-F226 HydrophobicContact CG2-CE1 3.94Å; F226-V241 CarbonylContact O-C 3.29Å; F226-V241 VanDerWaalsContact O-CA 3.26Å; F226-V241 WeakPolarHBondContact O-CA 3.45Å; F226-V242 HydrophobicContact CB-CB 4.48Å; F226-V242 HydrophobicContact CD2-CB 4.48Å; F226-V242 PolarHBondContact N-O 3.07Å; F226-V242 PolarHBondContact O-N 3.42Å; F226-I249 HydrophobicContact CE1-CD1 3.87Å; F226-I249 HydrophobicContact CZ-CD1 3.73Å; F226-L267 HydrophobicContact CE2-CD2 3.94Å; F226-L267 HydrophobicContact CZ-CD1 3.97Å; F226-L267 HydrophobicContact CZ-CD2 3.75Å; F226-W290 AromaticContact CD2-CZ2 3.95Å; F226-W290 HydrophobicContact CD2-CZ2 3.95Å; F226-W290 HydrophobicContact CE2-CH2 4.04Å; F226-W290 AromaticContact CE2-CZ2 3.57Å; F226-W290 HydrophobicContact CE2-CZ2 3.57Å
227	E	92.7	Very high	88.2	Confident	22 Å²	22	43.3 Å²	43.3	10%	0.103	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130	176.6	-51.7	-166.5	166.7	0	0	110.1	L219 T221 W229 K238 E240 V241	L219-E227 HydrophobicContact CB-CB 4.34Å; L219-E227 PolarHBondContact N-O 2.72Å; L219-E227 PolarHBondContact O-N 3.26Å; T221-E227 HydrophobicContact CG2-CG 3.83Å; E227-W229 PolarHBondContact OE2-NE1 3.03Å; E227-W229 VanDerWaalsContact OE2-NE1 3.09Å; E227-K238 IonicContact OE1-NZ 2.74Å; E227-K238 PolarHBondContact OE1-NZ 2.8Å; E227-K238 WeakPolarHBondContact OE2-CE 3.18Å; E227-K238 IonicContact OE2-NZ 3.24Å; E227-K238 PolarHBondContact OE2-NZ 3.44Å; E227-E240 WeakPolarHBondContact CA-O 3.35Å; E227-V241 HydrophobicContact CG-CG1 4.41Å; E227-V241 HydrophobicContact CG-CG2 4.17Å
228	T	91.7	Very high	88.1	Confident	26 Å²	26	48 Å²	48	16%	0.16	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.5	171.3	-61.7	0	0	0	0	109.3	L208 L230 G239 E240	L208-T228 HydrophobicContact CB-CG2 4.04Å; L208-T228 HydrophobicContact CD1-CG2 3.6Å; L208-T228 HydrophobicContact CG-CG2 4.49Å; T228-L230 HydrophobicContact CG2-CD2 3.77Å; T228-G239 VanDerWaalsContact O-CA 3.31Å; T228-G239 WeakPolarHBondContact O-CA 3.38Å; T228-G239 PolarHBondContact O-N 2.84Å; T228-E240 PolarHBondContact N-O 2.79Å
229	W	91.1	Very high	87.8	Confident	21 Å²	21	49.3 Å²	49.3	8%	0.08	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	112.3	179.3	-73.1	76	0	0	0	109.2	F191 I195 D216 L217 L219 E227 F236 T237 K238	F191-W229 HydrophobicContact CD1-CD2 4.2Å; F191-W229 AromaticContact CD1-CE3 3.76Å; F191-W229 HydrophobicContact CD1-CE3 3.76Å; F191-W229 AromaticContact CD1-CH2 3.81Å; F191-W229 HydrophobicContact CD1-CH2 3.81Å; F191-W229 HydrophobicContact CD1-CZ2 4.26Å; F191-W229 AromaticContact CD1-CZ3 3.55Å; F191-W229 HydrophobicContact CD1-CZ3 3.55Å; F191-W229 AromaticContact CE1-CD2 3.91Å; F191-W229 HydrophobicContact CE1-CD2 3.91Å; F191-W229 AromaticContact CE1-CE3 3.7Å; F191-W229 HydrophobicContact CE1-CE3 3.7Å; F191-W229 HydrophobicContact CE1-CG 4.43Å; F191-W229 HydrophobicContact CE1-CH2 4.48Å; F191-W229 HydrophobicContact CE1-CZ3 4.01Å; I195-W229 HydrophobicContact CD1-CH2 4Å; I195-W229 HydrophobicContact CD1-CZ2 3.34Å; I195-W229 HydrophobicContact CG1-CZ2 4.08Å; D216-W229 WeakPolarHBondContact CB-O 3.23Å; L217-W229 HydrophobicContact CB-CB 4.03Å; L217-W229 PolarHBondContact N-O 3.12Å; L217-W229 PolarHBondContact O-N 2.87Å; L219-W229 HydrophobicContact CD1-CG 4.38Å; E227-W229 PolarHBondContact OE2-NE1 3.03Å; E227-W229 VanDerWaalsContact OE2-NE1 3.09Å; W229-F236 HydrophobicContact CB-CB 4.34Å; W229-F236 HydrophobicContact CB-CD1 4.16Å; W229-F236 HydrophobicContact CE3-CB 4.09Å; W229-F236 WeakPolarHBondContact O-CD1 3.25Å; W229-T237 CarbonylContact C-O 3.58Å; W229-T237 WeakPolarHBondContact CA-O 3.43Å; W229-K238 HydrophobicContact CD2-CB 4.05Å; W229-K238 HydrophobicContact CD2-CG 4.45Å; W229-K238 HydrophobicContact CE3-CB 3.96Å; W229-K238 HydrophobicContact CH2-CB 3.85Å; W229-K238 HydrophobicContact CH2-CD 4.29Å; W229-K238 HydrophobicContact CH2-CG 4.43Å; W229-K238 HydrophobicContact CZ2-CB 3.9Å; W229-K238 HydrophobicContact CZ2-CD 3.81Å; W229-K238 HydrophobicContact CZ2-CG 4.01Å; W229-K238 HydrophobicContact CZ3-CB 3.86Å
230	L	89.8	Confident	87.5	Confident	60 Å²	60	53 Å²	53	31%	0.314	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.7	-172.1	-58.3	-172.6	0	0	0	111	N209 D216 T228 F236 T237	N209-L230 HydrophobicContact CB-CD2 3.54Å; D216-L230 VanDerWaalsContact OD1-CA 3.22Å; D216-L230 WeakPolarHBondContact OD1-CA 3.37Å; T228-L230 HydrophobicContact CG2-CD2 3.77Å; L230-F236 CarbonylContact O-C 3.55Å; L230-F236 VanDerWaalsContact O-CA 3.29Å; L230-F236 WeakPolarHBondContact O-CA 3.43Å; L230-T237 PolarHBondContact N-O 2.84Å; L230-T237 PolarHBondContact O-N 2.8Å
231	N	86.8	Confident	87.3	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.037	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	127.5	177.5	-168	-6.7	0	0	0	110.3	A214 A215 D216 G234 F236	A214-N231 HydrophobicContact CB-CB 4.1Å; A215-N231 WeakPolarHBondContact O-CB 3.49Å; A215-N231 PolarHBondContact O-ND2 2.93Å; D216-N231 PolarHBondContact OD1-N 2.85Å; N231-G234 VanDerWaalsContact OD1-CA 3.29Å; N231-G234 WeakPolarHBondContact OD1-CA 3.3Å; N231-G234 PolarHBondContact OD1-N 2.79Å; N231-F236 HydrophobicContact CB-CD1 3.97Å; N231-F236 HydrophobicContact CB-CE1 3.61Å; N231-F236 HydrophobicContact CB-CZ 4.42Å
232	K	82.9	Confident	87.3	Confident	152 Å²	152	57.7 Å²	57.7	66%	0.661	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.8	104.2	169	-173.3	173.8	-178	173.6	0	109.4	G234 A235	K232-G234 PolarHBondContact O-N 3.46Å; K232-A235 PolarHBondContact N-O 3.22Å; K232-A235 WeakPolarHBondContact O-CB 3.36Å; K232-A235 PolarHBondContact O-N 3.11Å
233	D	75.9	Confident	87.5	Confident	160 Å²	160	54.9 Å²	54.9	86%	0.856	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	40.3	-179.4	-53.6	-52.9	0	0	0	113	A235	D233-A235 VanDerWaalsContact C-N 3.34Å
234	G	74.5	Confident	87.8	Confident	20 Å²	20	52.9 Å²	52.9	21%	0.206	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	3.6	-177.9	0	0	0	0	0	114.5	F158 N231 K232	F158-G234 WeakPolarHBondContact CE2-O 3.12Å; F158-G234 WeakPolarHBondContact CZ-O 3.43Å; N231-G234 VanDerWaalsContact OD1-CA 3.29Å; N231-G234 WeakPolarHBondContact OD1-CA 3.3Å; N231-G234 PolarHBondContact OD1-N 2.79Å; K232-G234 PolarHBondContact O-N 3.46Å
235	A	82.1	Confident	88.1	Confident	56 Å²	56	54.6 Å²	54.6	46%	0.463	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.9	173.5	0	0	0	0	0	110.9	K232 D233	K232-A235 PolarHBondContact N-O 3.22Å; K232-A235 WeakPolarHBondContact O-CB 3.36Å; K232-A235 PolarHBondContact O-N 3.11Å; D233-A235 VanDerWaalsContact C-N 3.34Å
236	F	86.3	Confident	88	Confident	15 Å²	15	53.3 Å²	53.3	7%	0.066	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.8	177.9	-71.4	-69.1	0	0	0	112.8	M156 F158 F191 F205 L217 W229 L230 N231	M156-F236 HydrophobicContact CE-CE2 4.45Å; F158-F236 HydrophobicContact CD2-CD2 4.34Å; F158-F236 AromaticContact CD2-CE2 3.43Å; F158-F236 HydrophobicContact CD2-CE2 3.43Å; F158-F236 VanDerWaalsContact CD2-CE2 3.43Å; F158-F236 HydrophobicContact CD2-CZ 4.01Å; F158-F236 AromaticContact CE2-CD2 3.83Å; F158-F236 HydrophobicContact CE2-CD2 3.83Å; F158-F236 AromaticContact CE2-CE2 3.37Å; F158-F236 HydrophobicContact CE2-CE2 3.37Å; F158-F236 HydrophobicContact CE2-CZ 4.25Å; F191-F236 HydrophobicContact CE1-CB 4.21Å; F191-F236 HydrophobicContact CE1-CD2 4.45Å; F191-F236 HydrophobicContact CE2-CD2 4.42Å; F191-F236 HydrophobicContact CZ-CB 4.36Å; F191-F236 AromaticContact CZ-CD2 3.79Å; F191-F236 HydrophobicContact CZ-CD2 3.79Å; F191-F236 HydrophobicContact CZ-CE2 4.4Å; F191-F236 HydrophobicContact CZ-CG 4.29Å; F205-F236 HydrophobicContact CE2-CE1 4.33Å; F205-F236 AromaticContact CE2-CZ 3.93Å; F205-F236 HydrophobicContact CE2-CZ 3.93Å; L217-F236 HydrophobicContact CB-CD1 4.08Å; L217-F236 HydrophobicContact CB-CE1 3.6Å; L217-F236 HydrophobicContact CB-CZ 3.96Å; W229-F236 HydrophobicContact CB-CB 4.34Å; W229-F236 HydrophobicContact CB-CD1 4.16Å; W229-F236 HydrophobicContact CE3-CB 4.09Å; W229-F236 WeakPolarHBondContact O-CD1 3.25Å; L230-F236 CarbonylContact O-C 3.55Å; L230-F236 VanDerWaalsContact O-CA 3.29Å; L230-F236 WeakPolarHBondContact O-CA 3.43Å; N231-F236 HydrophobicContact CB-CD1 3.97Å; N231-F236 HydrophobicContact CB-CE1 3.61Å; N231-F236 HydrophobicContact CB-CZ 4.42Å
237	T	88.9	Confident	87.5	Confident	92 Å²	92	59.5 Å²	59.5	56%	0.564	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.3	171.8	-54.2	0	0	0	0	110.2	W229 L230 G239	W229-T237 CarbonylContact C-O 3.58Å; W229-T237 WeakPolarHBondContact CA-O 3.43Å; L230-T237 PolarHBondContact N-O 2.84Å; L230-T237 PolarHBondContact O-N 2.8Å; T237-G239 PolarHBondContact O-N 3.21Å; T237-G239 VanDerWaalsContact O-N 3.16Å
238	K	90	Very high	87.4	Confident	99 Å²	99	60.4 Å²	60.4	43%	0.43	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	120.7	176.8	-174.1	169.2	-178.7	150.7	0	110.6	E227 W229 V241	E227-K238 IonicContact OE1-NZ 2.74Å; E227-K238 PolarHBondContact OE1-NZ 2.8Å; E227-K238 WeakPolarHBondContact OE2-CE 3.18Å; E227-K238 IonicContact OE2-NZ 3.24Å; E227-K238 PolarHBondContact OE2-NZ 3.44Å; W229-K238 HydrophobicContact CD2-CB 4.05Å; W229-K238 HydrophobicContact CD2-CG 4.45Å; W229-K238 HydrophobicContact CE3-CB 3.96Å; W229-K238 HydrophobicContact CH2-CB 3.85Å; W229-K238 HydrophobicContact CH2-CD 4.29Å; W229-K238 HydrophobicContact CH2-CG 4.43Å; W229-K238 HydrophobicContact CZ2-CB 3.9Å; W229-K238 HydrophobicContact CZ2-CD 3.81Å; W229-K238 HydrophobicContact CZ2-CG 4.01Å; W229-K238 HydrophobicContact CZ3-CB 3.86Å; K238-V241 VanDerWaalsContact CE-CG2 3.46Å
239	G	87.4	Confident	87.4	Confident	35 Å²	35	59.8 Å²	59.8	36%	0.361	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-125.6	174.8	0	0	0	0	0	111.4	T228 T237	T228-G239 VanDerWaalsContact O-CA 3.31Å; T228-G239 WeakPolarHBondContact O-CA 3.38Å; T228-G239 PolarHBondContact O-N 2.84Å; T237-G239 PolarHBondContact O-N 3.21Å; T237-G239 VanDerWaalsContact O-N 3.16Å
240	E	87.9	Confident	87.6	Confident	76 Å²	76	58.9 Å²	58.9	36%	0.355	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	148.9	-173.5	-176.6	164.4	176.4	0	0	113.4	E227 T228 V242 K288	E227-E240 WeakPolarHBondContact CA-O 3.35Å; T228-E240 PolarHBondContact N-O 2.79Å; E240-V242 HydrophobicContact CG-CG2 3.84Å; E240-V242 WeakPolarHBondContact OE1-CG2 3.42Å; E240-K288 VanDerWaalsContact OE1-CD 3.23Å; E240-K288 WeakPolarHBondContact OE1-CD 3.39Å; E240-K288 WeakPolarHBondContact OE1-CE 3.27Å; E240-K288 IonicContact OE1-NZ 3.13Å; E240-K288 PolarHBondContact OE1-NZ 3.38Å; E240-K288 IonicContact OE2-NZ 3.56Å; E240-K288 PolarHBondContact OE2-NZ 3.05Å; E240-K288 VanDerWaalsContact OE2-NZ 3.13Å
241	V	91.2	Very high	87.8	Confident	70 Å²	70	57.3 Å²	57.3	42%	0.424	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.8	168	-175.4	0	0	0	0	109.1	N225 F226 E227 K238	N225-V241 HydrophobicContact CB-CG1 4.21Å; F226-V241 CarbonylContact O-C 3.29Å; F226-V241 VanDerWaalsContact O-CA 3.26Å; F226-V241 WeakPolarHBondContact O-CA 3.45Å; E227-V241 HydrophobicContact CG-CG1 4.41Å; E227-V241 HydrophobicContact CG-CG2 4.17Å; K238-V241 VanDerWaalsContact CE-CG2 3.46Å
242	V	91.3	Very high	88.3	Confident	38 Å²	38	57.7 Å²	57.7	23%	0.23	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.8	178.1	-176.6	0	0	0	0	109.2	N225 F226 E240	N225-V242 CarbonylContact C-O 3.57Å; N225-V242 WeakPolarHBondContact CA-O 3.48Å; F226-V242 HydrophobicContact CB-CB 4.48Å; F226-V242 HydrophobicContact CD2-CB 4.48Å; F226-V242 PolarHBondContact N-O 3.07Å; F226-V242 PolarHBondContact O-N 3.42Å; E240-V242 HydrophobicContact CG-CG2 3.84Å; E240-V242 WeakPolarHBondContact OE1-CG2 3.42Å
243	S	92	Very high	88.9	Confident	74 Å²	74	51.2 Å²	51.2	52%	0.517	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	144.1	172.8	-59.4	0	0	0	0	110.7	N225 W290	N225-S243 WeakPolarHBondContact OD1-CB 3.37Å; N225-S243 PolarHBondContact OD1-OG 2.74Å; S243-W290 PolarHBondContact O-NE1 3.15Å
244	S	90.3	Very high	89.8	Confident	27 Å²	27	45.8 Å²	45.8	19%	0.189	27%	0.274	C	S	.	.			trans	-63.1	150.9	173.5	55.2	0	0	0	0	112.4	G224 A246	G224-S244 WeakPolarHBondContact O-CB 3.24Å; G224-S244 PolarHBondContact O-N 3.5Å; G224-S244 PolarHBondContact O-OG 3.32Å; S244-A246 VanDerWaalsContact C-N 3.29Å; S244-A246 PolarHBondContact O-N 2.76Å; S244-A246 PolarHBondContact OG-O 2.75Å
245	P	91.6	Very high	90.7	Very high	49 Å²	49	46.2 Å²	46.2	32%	0.318	27%	0.273	S	S	.	.	S	Bend	trans	-84	-2	-178.9	35.3	-36.5	0	0	0	113.5	L267 Y281 W290	P245-L267 HydrophobicContact CG-CD2 4.4Å; P245-Y281 HydrophobicContact CB-CD2 4.46Å; P245-Y281 HydrophobicContact CB-CE2 4.16Å; P245-Y281 HydrophobicContact CG-CD1 4.42Å; P245-Y281 HydrophobicContact CG-CD2 3.52Å; P245-Y281 HydrophobicContact CG-CE2 3.62Å; P245-Y281 HydrophobicContact CG-CG 3.94Å; P245-W290 HydrophobicContact CB-CB 3.88Å; P245-W290 HydrophobicContact CB-CG 3.78Å; P245-W290 HydrophobicContact CG-CB 3.9Å; P245-W290 HydrophobicContact CG-CD2 3.84Å; P245-W290 HydrophobicContact CG-CE3 4.45Å; P245-W290 HydrophobicContact CG-CG 3.58Å
246	A	90.1	Very high	91.3	Very high	16 Å²	16	45.7 Å²	45.7	13%	0.132	26%	0.263	C	S	.	.	S	Bend	trans	-139.4	158	-167.8	0	0	0	0	0	111.9	S244 I249 A269 Y281	S244-A246 VanDerWaalsContact C-N 3.29Å; S244-A246 PolarHBondContact O-N 2.76Å; S244-A246 PolarHBondContact OG-O 2.75Å; A246-I249 HydrophobicContact CB-CG2 4.32Å; A246-A269 HydrophobicContact CB-CB 3.63Å; A246-Y281 HydrophobicContact CB-CE2 4.4Å
247	E	82.3	Confident	91.8	Very high	134 Å²	134	45 Å²	45	63%	0.626	26%	0.26	S	S	*	.	S	Bend	trans	-70.4	-43.5	-177.2	-175.6	174.4	-160.4	0	0	112.3	V273	E247-V273 HydrophobicContact CG-CG2 4.3Å; E247-V273 VanDerWaalsContact OE1-CG2 3.24Å; E247-V273 WeakPolarHBondContact OE1-CG2 3.3Å; E247-V273 WeakPolarHBondContact OE2-CG2 3.42Å
248	T	90.6	Very high	92.1	Very high	42 Å²	42	42.6 Å²	42.6	26%	0.258	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.9	174.9	-60.6	0	0	0	0	109	A269 C270	T248-A269 CarbonylContact O-C 3.54Å; T248-A269 WeakPolarHBondContact O-CA 3.4Å; T248-A269 WeakPolarHBondContact O-CB 3.35Å; T248-C270 PolarHBondContact N-O 2.8Å; T248-C270 PolarHBondContact O-N 2.67Å
249	I	93.6	Very high	92.2	Very high	13 Å²	13	40 Å²	40	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	150.6	179.9	55.1	165.9	0	0	0	110.6	R198 F226 A246 L267 A269	R198-I249 PolarHBondContact NH2-O 2.91Å; F226-I249 HydrophobicContact CE1-CD1 3.87Å; F226-I249 HydrophobicContact CZ-CD1 3.73Å; A246-I249 HydrophobicContact CB-CG2 4.32Å; I249-L267 HydrophobicContact CB-CD1 4.13Å; I249-L267 HydrophobicContact CB-CG 4.5Å; I249-L267 HydrophobicContact CG2-CD1 4.46Å; I249-L267 HydrophobicContact CG2-CD2 3.96Å; I249-L267 HydrophobicContact CG2-CG 4.36Å; I249-A269 HydrophobicContact CG2-CB 4.2Å
250	G	94.3	Very high	92.4	Very high	1 Å²	1	42 Å²	42	1%	0.01	25%	0.247	C	C	.	.			trans	-84.1	-153.9	167.7	0	0	0	0	0	111.8	R198 P268 V315	R198-G250 PolarHBondContact NH1-O 2.99Å; G250-P268 WeakPolarHBondContact CA-O 3.38Å; G250-P268 PolarHBondContact N-O 3.44Å; G250-V315 CarbonylContact C-O 3.56Å; G250-V315 WeakPolarHBondContact CA-O 3.39Å
251	Q	94.9	Very high	92.5	Very high	28 Å²	28	41.3 Å²	41.3	13%	0.131	26%	0.26	C	S	.	.			trans	-83.7	136.4	175.4	-63	-74	-52.5	0	0	109.6	H201 S202 P268 P314 V315 V316	H201-Q251 PolarHBondContact O-OE1 3.3Å; S202-Q251 VanDerWaalsContact CA-OE1 3.25Å; S202-Q251 VanDerWaalsContact CB-CD 3.48Å; Q251-P268 VanDerWaalsContact O-CD 3.27Å; Q251-P268 WeakPolarHBondContact O-CD 3.26Å; Q251-P314 HydrophobicContact CG-CB 3.95Å; Q251-P314 HydrophobicContact CG-CG 3.88Å; Q251-V315 PolarHBondContact N-O 2.82Å; Q251-V316 HydrophobicContact CB-CB 4.14Å; Q251-V316 HydrophobicContact CB-CG2 4.09Å; Q251-V316 HydrophobicContact CG-CB 4.15Å; Q251-V316 HydrophobicContact CG-CG2 4.42Å
252	S	95.5	Very high	92.3	Very high	15 Å²	15	43.4 Å²	43.4	11%	0.105	26%	0.261	C	S	.	.			trans	-67.1	140.8	170.9	-65.1	0	0	0	0	111.2	S202 H265	S202-S252 WeakPolarHBondContact OG-CB 3.26Å; S202-S252 PolarHBondContact OG-N 2.9Å; S202-S252 PolarHBondContact OG-OG 3.33Å; S252-H265 WeakPolarHBondContact CB-NE2 3.38Å; S252-H265 PolarHBondContact OG-CE1 3.46Å; S252-H265 PolarHBondContact OG-NE2 2.77Å
253	S	95.6	Very high	92.2	Very high	16 Å²	16	46.1 Å²	46.1	11%	0.112	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.8	171.3	-54.8	0	0	0	0	109.9	H265 L266	S253-H265 WeakPolarHBondContact O-CA 3.43Å; S253-L266 PolarHBondContact N-O 2.81Å; S253-L266 PolarHBondContact O-N 3.46Å
254	F	94.5	Very high	92.3	Very high	45 Å²	45	42.7 Å²	42.7	20%	0.197	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	117.2	179.6	-62.8	-83.4	0	0	0	109.8	A204 I206 L208 F218 D264 H265	A204-F254 HydrophobicContact CB-CD2 4.14Å; A204-F254 HydrophobicContact CB-CE2 3.84Å; I206-F254 HydrophobicContact CD1-CB 3.45Å; I206-F254 VanDerWaalsContact CD1-CB 3.45Å; I206-F254 HydrophobicContact CD1-CD2 4.21Å; I206-F254 HydrophobicContact CD1-CG 3.84Å; L208-F254 HydrophobicContact CD2-CE1 4.24Å; F218-F254 HydrophobicContact CB-CE2 4.48Å; F218-F254 HydrophobicContact CB-CZ 4.3Å; F218-F254 AromaticContact CD1-CE2 3.93Å; F218-F254 HydrophobicContact CD1-CE2 3.93Å; F218-F254 AromaticContact CD1-CZ 3.76Å; F218-F254 HydrophobicContact CD1-CZ 3.76Å; F218-F254 HydrophobicContact CD2-CE1 4.41Å; F218-F254 AromaticContact CD2-CZ 3.65Å; F218-F254 HydrophobicContact CD2-CZ 3.65Å; F218-F254 HydrophobicContact CE1-CE2 4.27Å; F218-F254 AromaticContact CE1-CZ 3.91Å; F218-F254 HydrophobicContact CE1-CZ 3.91Å; F218-F254 HydrophobicContact CE2-CE1 4.45Å; F218-F254 AromaticContact CE2-CZ 3.78Å; F218-F254 HydrophobicContact CE2-CZ 3.78Å; F218-F254 HydrophobicContact CG-CE2 4.06Å; F218-F254 AromaticContact CG-CZ 3.62Å; F218-F254 HydrophobicContact CG-CZ 3.62Å; F218-F254 AromaticContact CZ-CZ 3.9Å; F218-F254 HydrophobicContact CZ-CZ 3.9Å; F254-D264 VanDerWaalsContact CA-O 3.27Å; F254-D264 WeakPolarHBondContact CA-O 3.26Å; F254-H265 HydrophobicContact CD1-CB 4.08Å; F254-H265 HydrophobicContact CE1-CB 3.8Å; F254-H265 AromaticContact CE1-CG 3.74Å
255	V	94.6	Very high	92.5	Very high	29 Å²	29	42.3 Å²	42.3	18%	0.176	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	150	-175.5	77	0	0	0	0	111	F257 D264 L266 L319 P328	V255-F257 HydrophobicContact CG1-CB 4.25Å; V255-F257 PolarHBondContact O-N 2.85Å; V255-D264 PolarHBondContact N-O 3.49Å; V255-D264 WeakPolarHBondContact O-CA 3.46Å; V255-D264 WeakPolarHBondContact O-CB 3.44Å; V255-D264 PolarHBondContact O-N 2.84Å; V255-L266 HydrophobicContact CG1-CD1 3.61Å; V255-L266 HydrophobicContact CG1-CG 4.34Å; V255-L319 HydrophobicContact CB-CD1 3.82Å; V255-L319 HydrophobicContact CG1-CD1 3.78Å; V255-L319 HydrophobicContact CG2-CD1 4.31Å; V255-P328 HydrophobicContact CB-CG 4.42Å; V255-P328 HydrophobicContact CG1-CB 4.48Å; V255-P328 HydrophobicContact CG1-CG 3.94Å; V255-P328 HydrophobicContact CG2-CB 3.67Å; V255-P328 HydrophobicContact CG2-CG 3.6Å
256	D	94.4	Very high	92.8	Very high	46 Å²	46	40 Å²	40	25%	0.246	23%	0.227	C	C	.	.			trans	-73.8	92.8	168.5	-178.6	3.5	0	0	0	109.8	G259 D260 G261 Y262 P328	D256-G259 WeakPolarHBondContact OD1-CA 3.34Å; D256-G259 PolarHBondContact OD1-N 2.99Å; D256-G259 WeakPolarHBondContact OD2-CA 3.36Å; D256-D260 PolarHBondContact OD1-N 2.79Å; D256-D260 PolarHBondContact OD2-N 2.93Å; D256-G261 WeakPolarHBondContact OD2-CA 3.25Å; D256-G261 PolarHBondContact OD2-N 3.25Å; D256-Y262 VanDerWaalsContact CA-O 3.26Å; D256-Y262 WeakPolarHBondContact CA-O 3.29Å; D256-Y262 WeakPolarHBondContact CB-O 3.24Å; D256-P328 WeakPolarHBondContact O-CD 3.48Å; D256-P328 VanDerWaalsContact O-CG 3.29Å; D256-P328 WeakPolarHBondContact O-CG 3.41Å
257	F	96.3	Very high	93.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-79.2	-26.9	-168.3	-177	-108	0	0	0	113.1	V255 D264 L266 I282 V293 N349 R362 F364	V255-F257 HydrophobicContact CG1-CB 4.25Å; V255-F257 PolarHBondContact O-N 2.85Å; F257-D264 HydrophobicContact CB-CB 4.36Å; F257-D264 PolarHBondContact N-OD2 3.05Å; F257-L266 HydrophobicContact CD2-CD1 3.97Å; F257-L266 HydrophobicContact CD2-CD2 4.24Å; F257-L266 HydrophobicContact CE2-CD1 4.49Å; F257-L266 HydrophobicContact CG-CD2 4.42Å; F257-I282 HydrophobicContact CB-CD1 3.75Å; F257-I282 HydrophobicContact CD1-CD1 3.5Å; F257-I282 HydrophobicContact CE1-CD1 4.36Å; F257-I282 HydrophobicContact CG-CD1 3.82Å; F257-V293 HydrophobicContact CE1-CB 4.35Å; F257-V293 HydrophobicContact CE1-CG1 3.99Å; F257-V293 HydrophobicContact CZ-CB 4.37Å; F257-V293 HydrophobicContact CZ-CG1 4.49Å; F257-N349 VanDerWaalsContact CD2-ND2 3.25Å; F257-N349 WeakPolarHBondContact CD2-ND2 3.5Å; F257-N349 HydrophobicContact CE2-CB 4.24Å; F257-N349 WeakPolarHBondContact CE2-ND2 3.31Å; F257-N349 VanDerWaalsContact CZ-OD1 3.26Å; F257-N349 WeakPolarHBondContact CZ-OD1 3.14Å; F257-N349 PolarHBondContact O-ND2 3.16Å; F257-R362 HydrophobicContact CD1-CB 4.16Å; F257-R362 HydrophobicContact CE1-CB 3.68Å; F257-R362 HydrophobicContact CZ-CB 4.34Å; F257-F364 HydrophobicContact CD2-CE2 4.42Å; F257-F364 HydrophobicContact CD2-CZ 4.11Å; F257-F364 HydrophobicContact CE2-CD1 4.17Å; F257-F364 HydrophobicContact CE2-CD2 4.07Å; F257-F364 AromaticContact CE2-CE1 3.69Å; F257-F364 HydrophobicContact CE2-CE1 3.69Å; F257-F364 AromaticContact CE2-CE2 3.58Å; F257-F364 HydrophobicContact CE2-CE2 3.58Å; F257-F364 HydrophobicContact CE2-CG 4.35Å; F257-F364 AromaticContact CE2-CZ 3.39Å; F257-F364 HydrophobicContact CE2-CZ 3.39Å; F257-F364 HydrophobicContact CZ-CD2 4.21Å; F257-F364 HydrophobicContact CZ-CE1 4.47Å; F257-F364 HydrophobicContact CZ-CE2 4.15Å; F257-F364 HydrophobicContact CZ-CG 4.41Å; F257-F364 HydrophobicContact CZ-CZ 4.3Å
258	D	94.8	Very high	93.8	Very high	42 Å²	42	32.8 Å²	32.8	23%	0.225	19%	0.191	C	C	.	.	S	Bend	trans	-118.4	11.3	-179	69.7	-16.6	0	0	0	114.5	D260 K284 F327 R362	D258-D260 VanDerWaalsContact C-N 3.3Å; D258-D260 PolarHBondContact O-N 3.41Å; D258-D260 WeakPolarHBondContact OD1-CB 3.43Å; D258-D260 VanDerWaalsContact OD1-CG 3.27Å; D258-K284 IonicContact OD1-NZ 2.66Å; D258-K284 PolarHBondContact OD1-NZ 2.81Å; D258-K284 WeakPolarHBondContact OD2-CE 3.47Å; D258-K284 IonicContact OD2-NZ 3.8Å; D258-K284 PolarHBondContact OD2-NZ 2.74Å; D258-F327 WeakPolarHBondContact O-CE1 3.42Å; D258-R362 HydrophobicContact CB-CG 3.95Å
259	G	93.5	Very high	94.1	Very high	45 Å²	45	30.9 Å²	30.9	46%	0.464	18%	0.179	S	C	.	.	S	Bend	trans	71.1	24.3	174.2	0	0	0	0	0	113.3	D256 G261	D256-G259 WeakPolarHBondContact OD1-CA 3.34Å; D256-G259 PolarHBondContact OD1-N 2.99Å; D256-G259 WeakPolarHBondContact OD2-CA 3.36Å; G259-G261 VanDerWaalsContact C-N 3.28Å
260	D	92	Very high	94.2	Very high	77 Å²	77	30.3 Å²	30.3	41%	0.412	18%	0.177	S	C	.	.	S	Bend	trans	-84.6	-2.4	-178.9	81.1	1.2	0	0	0	113.4	D256 D258 Y262 K284	D256-D260 PolarHBondContact OD1-N 2.79Å; D256-D260 PolarHBondContact OD2-N 2.93Å; D258-D260 VanDerWaalsContact C-N 3.3Å; D258-D260 PolarHBondContact O-N 3.41Å; D258-D260 WeakPolarHBondContact OD1-CB 3.43Å; D258-D260 VanDerWaalsContact OD1-CG 3.27Å; D260-Y262 WeakPolarHBondContact OD1-CA 3.22Å; D260-Y262 VanDerWaalsContact OD1-CB 3.24Å; D260-Y262 WeakPolarHBondContact OD1-CB 3.26Å; D260-Y262 WeakPolarHBondContact OD1-CD2 3.31Å; D260-Y262 PolarHBondContact OD1-N 3.45Å; D260-K284 IonicContact OD2-NZ 3.99Å
261	G	88.9	Confident	94.2	Very high	61 Å²	61	33.7 Å²	33.7	63%	0.629	19%	0.194	S	C	*	.	S	Bend	trans	85.4	5	-178.4	0	0	0	0	0	114	D256 G259	D256-G261 WeakPolarHBondContact OD2-CA 3.25Å; D256-G261 PolarHBondContact OD2-N 3.25Å; G259-G261 VanDerWaalsContact C-N 3.28Å
262	Y	88	Confident	94	Very high	114 Å²	114	34.1 Å²	34.1	45%	0.447	20%	0.197	S	C	.	.	S	Bend	trans	-117.3	142.8	178.8	-58.1	-57.2	0	0	0	112.1	D256 D260 D264	D256-Y262 VanDerWaalsContact CA-O 3.26Å; D256-Y262 WeakPolarHBondContact CA-O 3.29Å; D256-Y262 WeakPolarHBondContact CB-O 3.24Å; D260-Y262 WeakPolarHBondContact OD1-CA 3.22Å; D260-Y262 VanDerWaalsContact OD1-CB 3.24Å; D260-Y262 WeakPolarHBondContact OD1-CB 3.26Å; D260-Y262 WeakPolarHBondContact OD1-CD2 3.31Å; D260-Y262 PolarHBondContact OD1-N 3.45Å; Y262-D264 PolarHBondContact O-N 2.89Å
263	Q	89.4	Confident	93.6	Very high	95 Å²	95	37.9 Å²	37.9	44%	0.444	22%	0.22	S	C	.	.			trans	-75.1	128.4	175.8	-65.7	163.4	-4.1	0	0	110.6
264	D	93.3	Very high	93.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	149.9	172.8	-61.2	-48.7	0	0	0	111.2	F254 V255 F257 Y262 I282 K284	F254-D264 VanDerWaalsContact CA-O 3.27Å; F254-D264 WeakPolarHBondContact CA-O 3.26Å; V255-D264 PolarHBondContact N-O 3.49Å; V255-D264 WeakPolarHBondContact O-CA 3.46Å; V255-D264 WeakPolarHBondContact O-CB 3.44Å; V255-D264 PolarHBondContact O-N 2.84Å; F257-D264 HydrophobicContact CB-CB 4.36Å; F257-D264 PolarHBondContact N-OD2 3.05Å; Y262-D264 PolarHBondContact O-N 2.89Å; D264-I282 HydrophobicContact CB-CD1 3.71Å; D264-I282 HydrophobicContact CB-CG1 3.84Å; D264-K284 HydrophobicContact CB-CD 4.48Å; D264-K284 VanDerWaalsContact CG-CD 3.47Å; D264-K284 VanDerWaalsContact CG-NZ 3.31Å; D264-K284 WeakPolarHBondContact OD1-CD 3.39Å; D264-K284 IonicContact OD1-NZ 2.68Å; D264-K284 PolarHBondContact OD1-NZ 3.11Å; D264-K284 IonicContact OD2-NZ 2.74Å; D264-K284 PolarHBondContact OD2-NZ 3.11Å
265	H	94.9	Very high	93.1	Very high	19 Å²	19	37.5 Å²	37.5	9%	0.088	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	107.2	178	-177.5	-174.2	0	0	0	110.2	F218 S252 S253 F254 I282 A283 W290	F218-H265 AromaticContact CZ-CE1 3.5Å; F218-H265 VanDerWaalsContact CZ-CE1 3.5Å; F218-H265 WeakPolarHBondContact CZ-CE1 3.3Å; S252-H265 WeakPolarHBondContact CB-NE2 3.38Å; S252-H265 PolarHBondContact OG-CE1 3.46Å; S252-H265 PolarHBondContact OG-NE2 2.77Å; S253-H265 WeakPolarHBondContact O-CA 3.43Å; F254-H265 HydrophobicContact CD1-CB 4.08Å; F254-H265 HydrophobicContact CE1-CB 3.8Å; F254-H265 AromaticContact CE1-CG 3.74Å; H265-I282 CarbonylContact O-C 3.55Å; H265-I282 VanDerWaalsContact O-CA 3.32Å; H265-I282 WeakPolarHBondContact O-CA 3.39Å; H265-A283 HydrophobicContact CB-CB 4.33Å; H265-A283 PolarHBondContact N-O 3.42Å; H265-A283 PolarHBondContact O-N 3.15Å; H265-W290 AromaticContact CE1-CH2 3.51Å; H265-W290 AromaticContact CG-CH2 3.96Å; H265-W290 AromaticContact ND1-CH2 3.45Å; H265-W290 WeakPolarHBondContact ND1-CH2 3.38Å; H265-W290 AromaticContact NE2-CH2 4Å
266	L	97.2	Very high	92.9	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	137	169.7	-68.6	173.1	0	0	0	111.1	S253 V255 F257 I280 Y281 I282 V293 L317 L319 F364	S253-L266 PolarHBondContact N-O 2.81Å; S253-L266 PolarHBondContact O-N 3.46Å; V255-L266 HydrophobicContact CG1-CD1 3.61Å; V255-L266 HydrophobicContact CG1-CG 4.34Å; F257-L266 HydrophobicContact CD2-CD1 3.97Å; F257-L266 HydrophobicContact CD2-CD2 4.24Å; F257-L266 HydrophobicContact CE2-CD1 4.49Å; F257-L266 HydrophobicContact CG-CD2 4.42Å; L266-I280 HydrophobicContact CD2-CG2 4.4Å; L266-Y281 CarbonylContact C-O 3.52Å; L266-Y281 WeakPolarHBondContact CA-O 3.29Å; L266-I282 HydrophobicContact CD2-CB 3.87Å; L266-I282 HydrophobicContact CD2-CD1 4.16Å; L266-I282 HydrophobicContact CD2-CG1 3.91Å; L266-V293 HydrophobicContact CD2-CG2 4.13Å; L266-L317 HydrophobicContact CB-CD1 4.07Å; L266-L317 HydrophobicContact CD1-CD1 4.36Å; L266-L319 HydrophobicContact CD1-CD1 4.13Å; L266-L319 HydrophobicContact CD1-CD2 4.01Å; L266-F364 HydrophobicContact CD1-CE2 4.06Å; L266-F364 HydrophobicContact CD1-CZ 4.08Å; L266-F364 HydrophobicContact CD2-CE2 4.31Å
267	L	97.2	Very high	92.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	100.5	-178.3	-173.6	66.4	0	0	0	110.6	F226 P245 I249 Y281 W290	F226-L267 HydrophobicContact CE2-CD2 3.94Å; F226-L267 HydrophobicContact CZ-CD1 3.97Å; F226-L267 HydrophobicContact CZ-CD2 3.75Å; P245-L267 HydrophobicContact CG-CD2 4.4Å; I249-L267 HydrophobicContact CB-CD1 4.13Å; I249-L267 HydrophobicContact CB-CG 4.5Å; I249-L267 HydrophobicContact CG2-CD1 4.46Å; I249-L267 HydrophobicContact CG2-CD2 3.96Å; I249-L267 HydrophobicContact CG2-CG 4.36Å; L267-Y281 PolarHBondContact N-O 2.79Å; L267-Y281 PolarHBondContact O-N 2.81Å; L267-W290 HydrophobicContact CB-CE3 4.44Å; L267-W290 HydrophobicContact CB-CH2 3.9Å; L267-W290 HydrophobicContact CB-CZ3 3.58Å; L267-W290 HydrophobicContact CD2-CH2 3.65Å; L267-W290 HydrophobicContact CD2-CZ2 4.05Å; L267-W290 HydrophobicContact CD2-CZ3 3.93Å; L267-W290 HydrophobicContact CG-CH2 4.38Å; L267-W290 HydrophobicContact CG-CZ3 4.42Å
268	P	97.2	Very high	92.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	140.9	166.1	30.8	-34.2	0	0	0	109.5	G250 Q251 I279 I280 F306 V315 L317	G250-P268 WeakPolarHBondContact CA-O 3.38Å; G250-P268 PolarHBondContact N-O 3.44Å; Q251-P268 VanDerWaalsContact O-CD 3.27Å; Q251-P268 WeakPolarHBondContact O-CD 3.26Å; P268-I279 CarbonylContact C-O 3.59Å; P268-I280 HydrophobicContact CB-CG1 4.47Å; P268-F306 HydrophobicContact CB-CD2 4.5Å; P268-F306 HydrophobicContact CB-CE1 4.41Å; P268-F306 HydrophobicContact CB-CE2 3.81Å; P268-F306 HydrophobicContact CB-CZ 3.77Å; P268-V315 HydrophobicContact CB-CG1 3.74Å; P268-V315 HydrophobicContact CG-CG1 3.98Å; P268-L317 HydrophobicContact CB-CD2 4.04Å; P268-L317 HydrophobicContact CB-CG 4.21Å; P268-L317 HydrophobicContact CG-CD1 4.44Å; P268-L317 HydrophobicContact CG-CD2 4.25Å; P268-L317 HydrophobicContact CG-CG 3.93Å
269	A	96	Very high	93.1	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	168.8	-176.2	0	0	0	0	0	112.3	A246 T248 I249 I279 Y281	A246-A269 HydrophobicContact CB-CB 3.63Å; T248-A269 CarbonylContact O-C 3.54Å; T248-A269 WeakPolarHBondContact O-CA 3.4Å; T248-A269 WeakPolarHBondContact O-CB 3.35Å; I249-A269 HydrophobicContact CG2-CB 4.2Å; A269-I279 HydrophobicContact CB-CG2 3.92Å; A269-I279 PolarHBondContact N-O 2.95Å; A269-I279 PolarHBondContact O-N 2.83Å; A269-I279 VanDerWaalsContact O-O 3.11Å; A269-Y281 HydrophobicContact CB-CD2 4.4Å; A269-Y281 HydrophobicContact CB-CE2 4.49Å
270	C	95.1	Very high	93.3	Very high	2 Å²	2	40 Å²	40	1%	0.014	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.3	172.5	-49.3	0	0	0	0	108.6	T248 D272 C275 Q277	T248-C270 PolarHBondContact N-O 2.8Å; T248-C270 PolarHBondContact O-N 2.67Å; C270-D272 WeakPolarHBondContact CB-O 3.5Å; C270-D272 PolarHBondContact O-N 3.17Å; C270-C275 HydrophobicContact CB-CB 3.63Å; C270-C275 WeakPolarHBondContact CB-SG 3.17Å; C270-C275 WeakPolarHBondContact SG-CB 3.43Å; C270-C275 CovalentContact SG-SG 2.03Å; C270-C275 PolarHBondContact SG-SG 3.44Å; C270-Q277 WeakPolarHBondContact CA-O 3.25Å
271	L	94.4	Very high	93.6	Very high	72 Å²	72	37.8 Å²	37.8	38%	0.377	21%	0.207	S	C	.	.	S	Bend	trans	-75.2	-15.3	177.1	-60.3	-179.4	0	0	0	112.6	Q277 I279	L271-Q277 HydrophobicContact CB-CB 3.99Å; L271-Q277 HydrophobicContact CD1-CB 4.3Å; L271-Q277 HydrophobicContact CG-CB 4.41Å; L271-Q277 PolarHBondContact N-O 3.25Å; L271-I279 HydrophobicContact CD1-CD1 4.45Å; L271-I279 HydrophobicContact CD2-CD1 4.46Å; L271-I279 HydrophobicContact CD2-CG2 3.86Å; L271-I279 HydrophobicContact CG-CG2 4.03Å
272	D	91.8	Very high	94	Very high	36 Å²	36	34.9 Å²	34.9	19%	0.193	18%	0.178	C	C	.	.	S	Bend	trans	-133.1	153	175.7	69.2	101	0	0	0	111.3	C270 A274 C275 Q276 Q277	C270-D272 WeakPolarHBondContact CB-O 3.5Å; C270-D272 PolarHBondContact O-N 3.17Å; D272-A274 PolarHBondContact O-N 3.03Å; D272-A274 VanDerWaalsContact OD1-C 3.23Å; D272-A274 WeakPolarHBondContact OD1-CA 3.35Å; D272-A274 WeakPolarHBondContact OD1-CB 3.06Å; D272-A274 PolarHBondContact OD1-N 3.5Å; D272-C275 WeakPolarHBondContact O-CA 3.37Å; D272-C275 PolarHBondContact O-N 2.67Å; D272-C275 PolarHBondContact OD1-N 2.68Å; D272-Q276 PolarHBondContact OD1-N 2.96Å; D272-Q276 PolarHBondContact OD2-N 3.13Å; D272-Q277 PolarHBondContact OD2-N 3.34Å
273	V	87.1	Confident	94.3	Very high	95 Å²	95	30.1 Å²	30.1	58%	0.576	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-36.2	178.3	-177.5	0	0	0	0	113.1	E247 C275	E247-V273 HydrophobicContact CG-CG2 4.3Å; E247-V273 VanDerWaalsContact OE1-CG2 3.24Å; E247-V273 WeakPolarHBondContact OE1-CG2 3.3Å; E247-V273 WeakPolarHBondContact OE2-CG2 3.42Å; V273-C275 PolarHBondContact O-N 3.18Å
274	A	87.3	Confident	94.3	Very high	53 Å²	53	26.8 Å²	26.8	44%	0.438	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	0.6	-179	0	0	0	0	0	112.9	D272 Q276 R335	D272-A274 PolarHBondContact O-N 3.03Å; D272-A274 VanDerWaalsContact OD1-C 3.23Å; D272-A274 WeakPolarHBondContact OD1-CA 3.35Å; D272-A274 WeakPolarHBondContact OD1-CB 3.06Å; D272-A274 PolarHBondContact OD1-N 3.5Å; A274-Q276 HydrophobicContact CB-CG 4.07Å; A274-Q276 PolarHBondContact O-N 2.83Å; A274-R335 PolarHBondContact O-NH2 2.81Å
275	C	90.9	Very high	93.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.			trans	46.8	43.7	-176	-151.4	0	0	0	0	113.8	C270 D272 V273 Q277 S278 S308	C270-C275 HydrophobicContact CB-CB 3.63Å; C270-C275 WeakPolarHBondContact CB-SG 3.17Å; C270-C275 WeakPolarHBondContact SG-CB 3.43Å; C270-C275 CovalentContact SG-SG 2.03Å; C270-C275 PolarHBondContact SG-SG 3.44Å; D272-C275 WeakPolarHBondContact O-CA 3.37Å; D272-C275 PolarHBondContact O-N 2.67Å; D272-C275 PolarHBondContact OD1-N 2.68Å; V273-C275 PolarHBondContact O-N 3.18Å; C275-Q277 VanDerWaalsContact C-N 3.31Å; C275-S278 PolarHBondContact SG-OG 3.26Å; C275-S278 VanDerWaalsContact SG-OG 3.38Å; C275-S308 WeakPolarHBondContact CB-OG 3.26Å
276	Q	91.4	Very high	92.7	Very high	82 Å²	82	34.7 Å²	34.7	38%	0.383	19%	0.193	S	C	.	.	S	Bend	trans	-76.4	-25.9	170.6	-65.4	-68.6	-41.2	0	0	111.2	D272 A274 T337	D272-Q276 PolarHBondContact OD1-N 2.96Å; D272-Q276 PolarHBondContact OD2-N 3.13Å; A274-Q276 HydrophobicContact CB-CG 4.07Å; A274-Q276 PolarHBondContact O-N 2.83Å; Q276-T337 VanDerWaalsContact OE1-CB 3.29Å
277	Q	94.6	Very high	91.9	Very high	118 Å²	118	37.1 Å²	37.1	55%	0.551	21%	0.209	S	C	*	.	S	Bend	trans	-118.7	101.1	176	-63.9	-178.9	18.4	0	0	109.2	C270 L271 D272 C275	C270-Q277 WeakPolarHBondContact CA-O 3.25Å; L271-Q277 HydrophobicContact CB-CB 3.99Å; L271-Q277 HydrophobicContact CD1-CB 4.3Å; L271-Q277 HydrophobicContact CG-CB 4.41Å; L271-Q277 PolarHBondContact N-O 3.25Å; D272-Q277 PolarHBondContact OD2-N 3.34Å; C275-Q277 VanDerWaalsContact C-N 3.31Å
278	S	96.9	Very high	91	Very high	5 Å²	5	43.9 Å²	43.9	4%	0.035	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	150.6	176.2	-63.9	0	0	0	0	111.4	C275 F297 G305 F306	C275-S278 PolarHBondContact SG-OG 3.26Å; C275-S278 VanDerWaalsContact SG-OG 3.38Å; S278-F297 WeakPolarHBondContact O-CD2 3.43Å; S278-F297 WeakPolarHBondContact O-CE2 3.36Å; S278-G305 WeakPolarHBondContact OG-CA 3.2Å; S278-F306 PolarHBondContact OG-N 3.01Å
279	I	97.8	Very high	90.7	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.051	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	147	-178.9	-172	152.3	0	0	0	110.2	P268 A269 L271 Y281 P292 L294	P268-I279 CarbonylContact C-O 3.59Å; A269-I279 HydrophobicContact CB-CG2 3.92Å; A269-I279 PolarHBondContact N-O 2.95Å; A269-I279 PolarHBondContact O-N 2.83Å; A269-I279 VanDerWaalsContact O-O 3.11Å; L271-I279 HydrophobicContact CD1-CD1 4.45Å; L271-I279 HydrophobicContact CD2-CD1 4.46Å; L271-I279 HydrophobicContact CD2-CG2 3.86Å; L271-I279 HydrophobicContact CG-CG2 4.03Å; I279-Y281 HydrophobicContact CB-CE2 4.27Å; I279-Y281 HydrophobicContact CD1-CE1 3.78Å; I279-Y281 HydrophobicContact CD1-CE2 3.91Å; I279-Y281 VanDerWaalsContact CD1-CZ 3.42Å; I279-Y281 WeakPolarHBondContact CD1-OH 3.13Å; I279-Y281 HydrophobicContact CG1-CD2 4.2Å; I279-Y281 HydrophobicContact CG1-CE1 4.21Å; I279-Y281 HydrophobicContact CG1-CE2 3.85Å; I279-Y281 HydrophobicContact CG2-CD2 3.96Å; I279-Y281 HydrophobicContact CG2-CE2 3.4Å; I279-P292 HydrophobicContact CD1-CB 3.94Å; I279-P292 HydrophobicContact CG1-CB 4.25Å; I279-L294 CarbonylContact C-O 3.59Å; I279-L294 VanDerWaalsContact CA-O 3.3Å; I279-L294 WeakPolarHBondContact CA-O 3.15Å; I279-L294 WeakPolarHBondContact CG1-O 3.37Å
280	I	98.3	Very high	90.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.9	166.6	-55.5	177	0	0	0	107.3	L266 P268 V293 L294 F306 L317 L347 F364	L266-I280 HydrophobicContact CD2-CG2 4.4Å; P268-I280 HydrophobicContact CB-CG1 4.47Å; I280-V293 HydrophobicContact CB-CG2 4.03Å; I280-V293 HydrophobicContact CG2-CG2 3.67Å; I280-V293 WeakPolarHBondContact O-CG2 3.17Å; I280-V293 PolarHBondContact O-N 2.92Å; I280-L294 HydrophobicContact CB-CB 4.14Å; I280-L294 HydrophobicContact CD1-CB 4.21Å; I280-L294 HydrophobicContact CD1-CD2 3.84Å; I280-L294 HydrophobicContact CG1-CB 4.25Å; I280-L294 HydrophobicContact CG1-CD2 4.43Å; I280-L294 PolarHBondContact N-O 3.15Å; I280-L294 PolarHBondContact O-N 2.78Å; I280-F306 HydrophobicContact CD1-CZ 4.03Å; I280-F306 HydrophobicContact CG1-CE2 4.15Å; I280-F306 HydrophobicContact CG1-CZ 3.72Å; I280-L317 HydrophobicContact CD1-CD1 4.3Å; I280-L317 HydrophobicContact CD1-CD2 3.86Å; I280-L317 HydrophobicContact CG2-CD1 3.94Å; I280-L347 HydrophobicContact CD1-CD1 3.55Å; I280-F364 HydrophobicContact CD1-CD2 3.92Å; I280-F364 HydrophobicContact CD1-CE2 4.34Å; I280-F364 HydrophobicContact CG2-CD2 4.27Å; I280-F364 HydrophobicContact CG2-CE2 4.25Å
281	Y	97.8	Very high	90.7	Very high	30 Å²	30	51.8 Å²	51.8	12%	0.118	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	154.8	172.4	-67.1	-78.6	0	0	0	111.2	P245 A246 L266 L267 A269 I279 W290 V291 P292	P245-Y281 HydrophobicContact CB-CD2 4.46Å; P245-Y281 HydrophobicContact CB-CE2 4.16Å; P245-Y281 HydrophobicContact CG-CD1 4.42Å; P245-Y281 HydrophobicContact CG-CD2 3.52Å; P245-Y281 HydrophobicContact CG-CE2 3.62Å; P245-Y281 HydrophobicContact CG-CG 3.94Å; A246-Y281 HydrophobicContact CB-CE2 4.4Å; L266-Y281 CarbonylContact C-O 3.52Å; L266-Y281 WeakPolarHBondContact CA-O 3.29Å; L267-Y281 PolarHBondContact N-O 2.79Å; L267-Y281 PolarHBondContact O-N 2.81Å; A269-Y281 HydrophobicContact CB-CD2 4.4Å; A269-Y281 HydrophobicContact CB-CE2 4.49Å; I279-Y281 HydrophobicContact CB-CE2 4.27Å; I279-Y281 HydrophobicContact CD1-CE1 3.78Å; I279-Y281 HydrophobicContact CD1-CE2 3.91Å; I279-Y281 VanDerWaalsContact CD1-CZ 3.42Å; I279-Y281 WeakPolarHBondContact CD1-OH 3.13Å; I279-Y281 HydrophobicContact CG1-CD2 4.2Å; I279-Y281 HydrophobicContact CG1-CE1 4.21Å; I279-Y281 HydrophobicContact CG1-CE2 3.85Å; I279-Y281 HydrophobicContact CG2-CD2 3.96Å; I279-Y281 HydrophobicContact CG2-CE2 3.4Å; Y281-W290 HydrophobicContact CD1-CB 3.92Å; Y281-W290 HydrophobicContact CE1-CB 4.47Å; Y281-W290 HydrophobicContact CG-CB 4.27Å; Y281-W290 HydrophobicContact CG-CE3 4.48Å; Y281-V291 CarbonylContact C-O 3.58Å; Y281-V291 WeakPolarHBondContact CA-O 3.19Å; Y281-P292 HydrophobicContact CD1-CB 4.23Å; Y281-P292 HydrophobicContact CE1-CB 4.17Å
282	I	96.7	Very high	90.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.7	163.7	-166.9	172.8	0	0	0	109	F257 D264 H265 L266 K284 V291 V293 V360	F257-I282 HydrophobicContact CB-CD1 3.75Å; F257-I282 HydrophobicContact CD1-CD1 3.5Å; F257-I282 HydrophobicContact CE1-CD1 4.36Å; F257-I282 HydrophobicContact CG-CD1 3.82Å; D264-I282 HydrophobicContact CB-CD1 3.71Å; D264-I282 HydrophobicContact CB-CG1 3.84Å; H265-I282 CarbonylContact O-C 3.55Å; H265-I282 VanDerWaalsContact O-CA 3.32Å; H265-I282 WeakPolarHBondContact O-CA 3.39Å; L266-I282 HydrophobicContact CD2-CB 3.87Å; L266-I282 HydrophobicContact CD2-CD1 4.16Å; L266-I282 HydrophobicContact CD2-CG1 3.91Å; I282-K284 HydrophobicContact CD1-CD 4.29Å; I282-V291 HydrophobicContact CG2-CB 3.92Å; I282-V291 WeakPolarHBondContact CG2-O 3.49Å; I282-V291 PolarHBondContact N-O 3.44Å; I282-V291 PolarHBondContact O-N 3.26Å; I282-V293 HydrophobicContact CB-CG1 3.9Å; I282-V293 HydrophobicContact CB-CG2 4.46Å; I282-V293 HydrophobicContact CG2-CG1 3.43Å; I282-V293 VanDerWaalsContact CG2-CG1 3.43Å; I282-V360 HydrophobicContact CG2-CB 4.22Å; I282-V360 HydrophobicContact CG2-CG1 3.83Å; I282-V360 HydrophobicContact CG2-CG2 4.03Å
283	A	94.3	Very high	91.2	Very high	14 Å²	14	48.2 Å²	48.2	12%	0.116	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.1	162.8	0	0	0	0	0	108.5	H265 W290	H265-A283 HydrophobicContact CB-CB 4.33Å; H265-A283 PolarHBondContact N-O 3.42Å; H265-A283 PolarHBondContact O-N 3.15Å; A283-W290 HydrophobicContact CB-CD2 4.05Å; A283-W290 HydrophobicContact CB-CE3 3.65Å; A283-W290 HydrophobicContact CB-CH2 4.01Å; A283-W290 HydrophobicContact CB-CZ2 4.32Å; A283-W290 HydrophobicContact CB-CZ3 3.65Å
284	K	90.3	Very high	91.7	Very high	25 Å²	25	44.1 Å²	44.1	11%	0.109	23%	0.232	C	C	.	.			trans	-73.4	146.3	177.5	-75.5	-58.2	-153.1	163.2	0	110.5	D258 D260 D264 I282 S286 S287 V360	D258-K284 IonicContact OD1-NZ 2.66Å; D258-K284 PolarHBondContact OD1-NZ 2.81Å; D258-K284 WeakPolarHBondContact OD2-CE 3.47Å; D258-K284 IonicContact OD2-NZ 3.8Å; D258-K284 PolarHBondContact OD2-NZ 2.74Å; D260-K284 IonicContact OD2-NZ 3.99Å; D264-K284 HydrophobicContact CB-CD 4.48Å; D264-K284 VanDerWaalsContact CG-CD 3.47Å; D264-K284 VanDerWaalsContact CG-NZ 3.31Å; D264-K284 WeakPolarHBondContact OD1-CD 3.39Å; D264-K284 IonicContact OD1-NZ 2.68Å; D264-K284 PolarHBondContact OD1-NZ 3.11Å; D264-K284 IonicContact OD2-NZ 2.74Å; D264-K284 PolarHBondContact OD2-NZ 3.11Å; I282-K284 HydrophobicContact CD1-CD 4.29Å; K284-S286 PolarHBondContact O-N 2.89Å; K284-S287 CarbonylContact O-C 3.57Å; K284-S287 PolarHBondContact O-N 2.86Å; K284-V360 HydrophobicContact CD-CG1 4.39Å; K284-V360 HydrophobicContact CG-CG1 3.72Å
285	R	78.6	Confident	92.1	Very high	70 Å²	70	45.1 Å²	45.1	26%	0.264	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-24.8	177.1	-162.5	-176.8	-172.4	-165.5	18.6	115.4	K210	K210-R285 VanDerWaalsContact NZ-CD 3.29Å
286	S	75.1	Confident	92.3	Very high	116 Å²	116	50.3 Å²	50.3	81%	0.811	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-4.5	-179	56.8	0	0	0	0	113.9	K284	K284-S286 PolarHBondContact O-N 2.89Å
287	S	81.9	Confident	92.6	Very high	50 Å²	50	46.8 Å²	46.8	35%	0.35	25%	0.247	S	C	.	.			trans	-137.4	149.1	-173	-172.6	0	0	0	0	111.9	K284 E289	K284-S287 CarbonylContact O-C 3.57Å; K284-S287 PolarHBondContact O-N 2.86Å; S287-E289 VanDerWaalsContact C-N 3.32Å; S287-E289 VanDerWaalsContact OG-CB 3.31Å; S287-E289 WeakPolarHBondContact OG-CB 3.34Å; S287-E289 PolarHBondContact OG-N 3.37Å; S287-E289 VanDerWaalsContact OG-N 3.09Å
288	K	77.6	Confident	92.6	Very high	142 Å²	142	46.8 Å²	46.8	62%	0.617	25%	0.245	S	C	*	.			trans	-94.1	1.5	170.7	-55.9	-172.6	-177.7	-146.6	0	112.3	E240	E240-K288 VanDerWaalsContact OE1-CD 3.23Å; E240-K288 WeakPolarHBondContact OE1-CD 3.39Å; E240-K288 WeakPolarHBondContact OE1-CE 3.27Å; E240-K288 IonicContact OE1-NZ 3.13Å; E240-K288 PolarHBondContact OE1-NZ 3.38Å; E240-K288 IonicContact OE2-NZ 3.56Å; E240-K288 PolarHBondContact OE2-NZ 3.05Å; E240-K288 VanDerWaalsContact OE2-NZ 3.13Å
289	E	90.7	Very high	92.4	Very high	125 Å²	125	48.5 Å²	48.5	58%	0.584	25%	0.253	S	S	*	.			trans	-82.6	131	-177.6	-170.2	175.8	-174.5	0	0	110.5	S287 V291	S287-E289 VanDerWaalsContact C-N 3.32Å; S287-E289 VanDerWaalsContact OG-CB 3.31Å; S287-E289 WeakPolarHBondContact OG-CB 3.34Å; S287-E289 PolarHBondContact OG-N 3.37Å; S287-E289 VanDerWaalsContact OG-N 3.09Å; E289-V291 HydrophobicContact CG-CG2 4.37Å
290	W	95.2	Very high	92.1	Very high	36 Å²	36	56.9 Å²	56.9	14%	0.136	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	115.4	170.9	-69.4	103.2	0	0	0	109.7	F226 S243 P245 H265 L267 Y281 A283	F226-W290 AromaticContact CD2-CZ2 3.95Å; F226-W290 HydrophobicContact CD2-CZ2 3.95Å; F226-W290 HydrophobicContact CE2-CH2 4.04Å; F226-W290 AromaticContact CE2-CZ2 3.57Å; F226-W290 HydrophobicContact CE2-CZ2 3.57Å; S243-W290 PolarHBondContact O-NE1 3.15Å; P245-W290 HydrophobicContact CB-CB 3.88Å; P245-W290 HydrophobicContact CB-CG 3.78Å; P245-W290 HydrophobicContact CG-CB 3.9Å; P245-W290 HydrophobicContact CG-CD2 3.84Å; P245-W290 HydrophobicContact CG-CE3 4.45Å; P245-W290 HydrophobicContact CG-CG 3.58Å; H265-W290 AromaticContact CE1-CH2 3.51Å; H265-W290 AromaticContact CG-CH2 3.96Å; H265-W290 AromaticContact ND1-CH2 3.45Å; H265-W290 WeakPolarHBondContact ND1-CH2 3.38Å; H265-W290 AromaticContact NE2-CH2 4Å; L267-W290 HydrophobicContact CB-CE3 4.44Å; L267-W290 HydrophobicContact CB-CH2 3.9Å; L267-W290 HydrophobicContact CB-CZ3 3.58Å; L267-W290 HydrophobicContact CD2-CH2 3.65Å; L267-W290 HydrophobicContact CD2-CZ2 4.05Å; L267-W290 HydrophobicContact CD2-CZ3 3.93Å; L267-W290 HydrophobicContact CG-CH2 4.38Å; L267-W290 HydrophobicContact CG-CZ3 4.42Å; Y281-W290 HydrophobicContact CD1-CB 3.92Å; Y281-W290 HydrophobicContact CE1-CB 4.47Å; Y281-W290 HydrophobicContact CG-CB 4.27Å; Y281-W290 HydrophobicContact CG-CE3 4.48Å; A283-W290 HydrophobicContact CB-CD2 4.05Å; A283-W290 HydrophobicContact CB-CE3 3.65Å; A283-W290 HydrophobicContact CB-CH2 4.01Å; A283-W290 HydrophobicContact CB-CZ2 4.32Å; A283-W290 HydrophobicContact CB-CZ3 3.65Å
291	V	96.8	Very high	91.8	Very high	9 Å²	9	64.4 Å²	64.4	6%	0.055	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.8	-179	-178.2	0	0	0	0	109	Y281 I282 E289 V293 N356 V360	Y281-V291 CarbonylContact C-O 3.58Å; Y281-V291 WeakPolarHBondContact CA-O 3.19Å; I282-V291 HydrophobicContact CG2-CB 3.92Å; I282-V291 WeakPolarHBondContact CG2-O 3.49Å; I282-V291 PolarHBondContact N-O 3.44Å; I282-V291 PolarHBondContact O-N 3.26Å; E289-V291 HydrophobicContact CG-CG2 4.37Å; V291-V293 PolarHBondContact O-N 2.96Å; V291-N356 WeakPolarHBondContact CG1-O 3.29Å; V291-V360 HydrophobicContact CB-CG1 4.03Å; V291-V360 HydrophobicContact CG1-CG1 4.07Å; V291-V360 HydrophobicContact CG1-CG2 3.96Å; V291-V360 HydrophobicContact CG2-CG1 4.06Å
292	P	97.4	Very high	91.5	Very high	29 Å²	29	65.2 Å²	65.2	19%	0.188	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	126.1	178.1	30.8	-34.7	0	0	0	110.9	I279 Y281 N356	I279-P292 HydrophobicContact CD1-CB 3.94Å; I279-P292 HydrophobicContact CG1-CB 4.25Å; Y281-P292 HydrophobicContact CD1-CB 4.23Å; Y281-P292 HydrophobicContact CE1-CB 4.17Å; P292-N356 HydrophobicContact CG-CB 3.93Å
293	V	97.8	Very high	91.4	Very high	3 Å²	3	67.8 Å²	67.8	2%	0.018	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-9.3	176	-68	0	0	0	0	112.8	F257 L266 I280 I282 V291 V360 M363 F364	F257-V293 HydrophobicContact CE1-CB 4.35Å; F257-V293 HydrophobicContact CE1-CG1 3.99Å; F257-V293 HydrophobicContact CZ-CB 4.37Å; F257-V293 HydrophobicContact CZ-CG1 4.49Å; L266-V293 HydrophobicContact CD2-CG2 4.13Å; I280-V293 HydrophobicContact CB-CG2 4.03Å; I280-V293 HydrophobicContact CG2-CG2 3.67Å; I280-V293 WeakPolarHBondContact O-CG2 3.17Å; I280-V293 PolarHBondContact O-N 2.92Å; I282-V293 HydrophobicContact CB-CG1 3.9Å; I282-V293 HydrophobicContact CB-CG2 4.46Å; I282-V293 HydrophobicContact CG2-CG1 3.43Å; I282-V293 VanDerWaalsContact CG2-CG1 3.43Å; V291-V293 PolarHBondContact O-N 2.96Å; V293-V360 HydrophobicContact CG1-CG2 3.97Å; V293-M363 WeakPolarHBondContact O-CB 3.28Å; V293-F364 HydrophobicContact CG2-CD2 4.13Å; V293-F364 PolarHBondContact O-N 3.17Å
294	L	97.9	Very high	91.5	Very high	10 Å²	10	68 Å²	68	5%	0.052	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	127.8	165.8	177.9	61	0	0	0	109.9	I279 I280 F297 L347 F364 I366	I279-L294 CarbonylContact C-O 3.59Å; I279-L294 VanDerWaalsContact CA-O 3.3Å; I279-L294 WeakPolarHBondContact CA-O 3.15Å; I279-L294 WeakPolarHBondContact CG1-O 3.37Å; I280-L294 HydrophobicContact CB-CB 4.14Å; I280-L294 HydrophobicContact CD1-CB 4.21Å; I280-L294 HydrophobicContact CD1-CD2 3.84Å; I280-L294 HydrophobicContact CG1-CB 4.25Å; I280-L294 HydrophobicContact CG1-CD2 4.43Å; I280-L294 PolarHBondContact N-O 3.15Å; I280-L294 PolarHBondContact O-N 2.78Å; L294-F297 HydrophobicContact CD2-CE1 3.88Å; L294-F297 HydrophobicContact CD2-CE2 4.07Å; L294-F297 HydrophobicContact CD2-CZ 3.52Å; L294-F297 HydrophobicContact CG-CD2 4.47Å; L294-F297 HydrophobicContact CG-CE1 4.44Å; L294-F297 HydrophobicContact CG-CE2 3.75Å; L294-F297 HydrophobicContact CG-CZ 3.74Å; L294-L347 HydrophobicContact CD2-CD1 4Å; L294-L347 HydrophobicContact CD2-CD2 4.2Å; L294-F364 HydrophobicContact CB-CB 4.09Å; L294-F364 HydrophobicContact CD2-CB 4.18Å; L294-I366 HydrophobicContact CD1-CD1 4.28Å; L294-I366 HydrophobicContact CD1-CG1 4.27Å; L294-I366 HydrophobicContact CD2-CD1 4.19Å; L294-I366 HydrophobicContact CD2-CG1 3.95Å
295	S	96.3	Very high	91.8	Very high	73 Å²	73	66.9 Å²	66.9	51%	0.51	34%	0.34	S	S	.	.			trans	-140.6	-12.1	176.3	58	0	0	0	0	114.2
296	D	95.4	Very high	92.6	Very high	109 Å²	109	63.7 Å²	63.7	58%	0.583	33%	0.328	S	S	*	.			trans	-98	99.7	176.5	-171.4	8.1	0	0	0	110.6	K298	D296-K298 VanDerWaalsContact OD1-CB 3.24Å; D296-K298 WeakPolarHBondContact OD1-CB 3.19Å; D296-K298 PolarHBondContact OD1-N 3.46Å
297	F	96.8	Very high	93.4	Very high	8 Å²	8	59.7 Å²	59.7	4%	0.035	30%	0.299	C	S	.	.			trans	-102	17.8	176	-68.4	-103.6	0	0	0	112.1	S278 L294 W304 F306 L334 I366	S278-F297 WeakPolarHBondContact O-CD2 3.43Å; S278-F297 WeakPolarHBondContact O-CE2 3.36Å; L294-F297 HydrophobicContact CD2-CE1 3.88Å; L294-F297 HydrophobicContact CD2-CE2 4.07Å; L294-F297 HydrophobicContact CD2-CZ 3.52Å; L294-F297 HydrophobicContact CG-CD2 4.47Å; L294-F297 HydrophobicContact CG-CE1 4.44Å; L294-F297 HydrophobicContact CG-CE2 3.75Å; L294-F297 HydrophobicContact CG-CZ 3.74Å; F297-W304 WeakPolarHBondContact CB-O 2.91Å; F297-W304 PolarHBondContact O-N 2.86Å; F297-F306 HydrophobicContact CE1-CE1 4.45Å; F297-F306 HydrophobicContact CE1-CE2 4.43Å; F297-F306 HydrophobicContact CE1-CZ 4.15Å; F297-F306 HydrophobicContact CZ-CE2 4Å; F297-F306 AromaticContact CZ-CZ 3.94Å; F297-F306 HydrophobicContact CZ-CZ 3.94Å; F297-L334 HydrophobicContact CD1-CD1 4.03Å; F297-L334 HydrophobicContact CD1-CD2 4.09Å; F297-L334 HydrophobicContact CE1-CD1 4.32Å; F297-L334 HydrophobicContact CE1-CD2 3.86Å; F297-I366 HydrophobicContact CB-CD1 4.4Å; F297-I366 HydrophobicContact CD1-CD1 3.74Å; F297-I366 HydrophobicContact CE1-CD1 4.23Å; F297-I366 HydrophobicContact CG-CD1 4.13Å
298	K	95.4	Very high	93.5	Very high	118 Å²	118	58.8 Å²	58.8	51%	0.513	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	130.1	179.4	-171	175.7	174.5	178.4	0	110.5	D296 R300 V303	D296-K298 VanDerWaalsContact OD1-CB 3.24Å; D296-K298 WeakPolarHBondContact OD1-CB 3.19Å; D296-K298 PolarHBondContact OD1-N 3.46Å; K298-R300 WeakPolarHBondContact CE-O 3.14Å; K298-V303 HydrophobicContact CG-CG2 4.35Å
299	H	93.6	Very high	93.6	Very high	42 Å²	42	55.8 Å²	55.8	19%	0.194	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	112.2	168.8	-172	71.6	0	0	0	109.7	D301 T302 W368	H299-D301 PolarHBondContact O-N 3.19Å; H299-T302 CarbonylContact C-O 3.47Å; H299-T302 PolarHBondContact N-O 2.91Å; H299-T302 PolarHBondContact O-N 2.89Å; H299-T302 VanDerWaalsContact O-O 3.09Å; H299-T302 PolarHBondContact O-OG1 2.86Å; H299-W368 HydrophobicContact CB-CD2 3.65Å; H299-W368 HydrophobicContact CB-CE3 3.67Å; H299-W368 HydrophobicContact CB-CG 4.34Å; H299-W368 HydrophobicContact CB-CH2 3.84Å; H299-W368 HydrophobicContact CB-CZ2 3.8Å; H299-W368 HydrophobicContact CB-CZ3 3.77Å; H299-W368 AromaticContact CE1-CG 3.62Å; H299-W368 AromaticContact CG-CD2 3.6Å; H299-W368 AromaticContact CG-CE3 3.82Å; H299-W368 AromaticContact CG-CG 3.8Å; H299-W368 AromaticContact ND1-CD1 3.36Å; H299-W368 AromaticContact ND1-CD2 3.4Å; H299-W368 AromaticContact ND1-CE2 3.78Å; H299-W368 AromaticContact ND1-CG 3.11Å; H299-W368 AromaticContact ND1-NE1 3.72Å
300	R	91.4	Very high	93.2	Very high	185 Å²	185	52.5 Å²	52.5	70%	0.698	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	-117.7	-175.1	-54	176.2	-171.8	-172.6	0.3	110.4	K298	K298-R300 WeakPolarHBondContact CE-O 3.14Å
301	D	90.8	Very high	92.5	Very high	158 Å²	158	55 Å²	55	85%	0.845	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	3.1	179.2	-59.8	-47	0	0	0	113.3	H299	H299-D301 PolarHBondContact O-N 3.19Å
302	T	92.5	Very high	91.9	Very high	48 Å²	48	57.8 Å²	57.8	29%	0.294	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	144.2	179.5	61.1	0	0	0	0	111.2	H299 W304	H299-T302 CarbonylContact C-O 3.47Å; H299-T302 PolarHBondContact N-O 2.91Å; H299-T302 PolarHBondContact O-N 2.89Å; H299-T302 VanDerWaalsContact O-O 3.09Å; H299-T302 PolarHBondContact O-OG1 2.86Å; T302-W304 PolarHBondContact OG1-NE1 2.9Å
303	V	94.3	Very high	91.4	Very high	53 Å²	53	58.5 Å²	58.5	32%	0.321	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.1	171.5	179.1	0	0	0	0	107.5	K298 T337	K298-V303 HydrophobicContact CG-CG2 4.35Å; V303-T337 HydrophobicContact CG1-CG2 4.14Å; V303-T337 PolarHBondContact O-N 2.95Å; V303-T337 PolarHBondContact O-OG1 3.47Å; V303-T337 VanDerWaalsContact O-OG1 3.12Å
304	W	95.9	Very high	91.1	Very high	20 Å²	20	60.2 Å²	60.2	8%	0.076	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	162.4	172.8	-68.1	76.5	0	0	0	109.8	F297 T302 L334 R335 N336 D341 R343 F345 W368	F297-W304 WeakPolarHBondContact CB-O 2.91Å; F297-W304 PolarHBondContact O-N 2.86Å; T302-W304 PolarHBondContact OG1-NE1 2.9Å; W304-L334 HydrophobicContact CB-CB 4.3Å; W304-L334 HydrophobicContact CB-CD1 4.33Å; W304-L334 HydrophobicContact CE3-CB 3.85Å; W304-R335 CarbonylContact C-O 3.44Å; W304-R335 VanDerWaalsContact CA-O 3.22Å; W304-R335 WeakPolarHBondContact CA-O 3.18Å; W304-N336 HydrophobicContact CD2-CB 4.37Å; W304-N336 HydrophobicContact CE3-CB 4.42Å; W304-N336 VanDerWaalsContact CE3-N 3.31Å; W304-N336 HydrophobicContact CH2-CB 4.25Å; W304-N336 HydrophobicContact CZ2-CB 4.2Å; W304-N336 HydrophobicContact CZ3-CB 4.35Å; W304-D341 HydrophobicContact CH2-CB 4.4Å; W304-R343 HydrophobicContact CH2-CG 4.3Å; W304-R343 HydrophobicContact CZ3-CB 4.49Å; W304-R343 HydrophobicContact CZ3-CG 4.49Å; W304-F345 HydrophobicContact CD2-CE2 4.16Å; W304-F345 AromaticContact CD2-CZ 3.98Å; W304-F345 HydrophobicContact CD2-CZ 3.98Å; W304-F345 AromaticContact CE3-CE2 3.53Å; W304-F345 HydrophobicContact CE3-CE2 3.53Å; W304-F345 AromaticContact CE3-CZ 3.76Å; W304-F345 HydrophobicContact CE3-CZ 3.76Å; W304-F345 HydrophobicContact CH2-CE2 4.1Å; W304-F345 AromaticContact CH2-CZ 3.82Å; W304-F345 HydrophobicContact CH2-CZ 3.82Å; W304-F345 HydrophobicContact CZ2-CZ 4.02Å; W304-F345 AromaticContact CZ3-CE2 3.5Å; W304-F345 HydrophobicContact CZ3-CE2 3.5Å; W304-F345 AromaticContact CZ3-CZ 3.69Å; W304-F345 HydrophobicContact CZ3-CZ 3.69Å; W304-W368 HydrophobicContact CB-CH2 4.05Å; W304-W368 HydrophobicContact CB-CZ3 4.25Å; W304-W368 AromaticContact CD1-CH2 3.81Å; W304-W368 AromaticContact CD1-CZ3 3.53Å; W304-W368 HydrophobicContact CD2-CZ3 4.35Å; W304-W368 HydrophobicContact CG-CH2 4.03Å; W304-W368 AromaticContact CG-CZ3 3.79Å; W304-W368 HydrophobicContact CG-CZ3 3.79Å; W304-W368 AromaticContact NE1-CZ3 3.97Å
305	G	95.6	Very high	91	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	169.6	176.4	0	0	0	0	0	111.7	S278 L334 R335	S278-G305 WeakPolarHBondContact OG-CA 3.2Å; G305-L334 CarbonylContact O-C 3.49Å; G305-L334 WeakPolarHBondContact O-CA 3.47Å; G305-R335 PolarHBondContact N-O 3.07Å; G305-R335 WeakPolarHBondContact O-CG 3.26Å; G305-R335 PolarHBondContact O-N 2.03Å
306	F	95.9	Very high	90.9	Very high	3 Å²	3	59.4 Å²	59.4	1%	0.013	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	152.7	176.4	-63.4	-58.8	0	0	0	111.7	P268 S278 I280 F297 S308 V315 V332 L334 R335	P268-F306 HydrophobicContact CB-CD2 4.5Å; P268-F306 HydrophobicContact CB-CE1 4.41Å; P268-F306 HydrophobicContact CB-CE2 3.81Å; P268-F306 HydrophobicContact CB-CZ 3.77Å; S278-F306 PolarHBondContact OG-N 3.01Å; I280-F306 HydrophobicContact CD1-CZ 4.03Å; I280-F306 HydrophobicContact CG1-CE2 4.15Å; I280-F306 HydrophobicContact CG1-CZ 3.72Å; F297-F306 HydrophobicContact CE1-CE1 4.45Å; F297-F306 HydrophobicContact CE1-CE2 4.43Å; F297-F306 HydrophobicContact CE1-CZ 4.15Å; F297-F306 HydrophobicContact CZ-CE2 4Å; F297-F306 AromaticContact CZ-CZ 3.94Å; F297-F306 HydrophobicContact CZ-CZ 3.94Å; F306-S308 PolarHBondContact O-N 2.88Å; F306-V315 HydrophobicContact CB-CG1 3.82Å; F306-V315 HydrophobicContact CB-CG2 3.81Å; F306-V315 HydrophobicContact CD1-CG1 3.58Å; F306-V315 HydrophobicContact CD2-CG1 3.96Å; F306-V315 HydrophobicContact CE1-CG1 4.07Å; F306-V315 HydrophobicContact CE2-CG1 4.42Å; F306-V315 HydrophobicContact CG-CG1 3.52Å; F306-V315 HydrophobicContact CG-CG2 4.44Å; F306-V315 HydrophobicContact CZ-CG1 4.47Å; F306-V332 HydrophobicContact CE1-CB 4.42Å; F306-V332 HydrophobicContact CE1-CG1 4.43Å; F306-L334 HydrophobicContact CD1-CD2 3.66Å; F306-L334 HydrophobicContact CE1-CD2 3.85Å; F306-L334 HydrophobicContact CG-CD2 4.45Å; F306-R335 PolarHBondContact O-NE 2.84Å
307	V	92.2	Very high	91	Very high	32 Å²	32	54.5 Å²	54.5	19%	0.194	31%	0.305	C	S	.	.			trans	-88.3	98.4	173.3	-174.3	0	0	0	0	107.3	V315 I333 R335 Q342	V307-V315 VanDerWaalsContact O-CG2 3.27Å; V307-V315 WeakPolarHBondContact O-CG2 3.13Å; V307-I333 HydrophobicContact CG2-CG2 4.05Å; V307-R335 HydrophobicContact CG2-CB 3.89Å; V307-R335 HydrophobicContact CG2-CG 3.93Å; V307-Q342 VanDerWaalsContact CG2-CD 3.46Å; V307-Q342 HydrophobicContact CG2-CG 3.8Å
308	S	84.8	Confident	91	Very high	31 Å²	31	56.3 Å²	56.3	22%	0.217	31%	0.313	C	S	.	.			trans	-95.3	157.1	177.6	69.1	0	0	0	0	112	C275 F306	C275-S308 WeakPolarHBondContact CB-OG 3.26Å; F306-S308 PolarHBondContact O-N 2.88Å
309	G	78.4	Confident	91.1	Very high	79 Å²	79	53 Å²	53	81%	0.814	30%	0.301	S	S	*	.	S	Bend	trans	94.5	-4.1	168.4	0	0	0	0	0	116.5	P311	G309-P311 WeakPolarHBondContact O-CD 3.22Å
310	D	83.4	Confident	91.3	Very high	57 Å²	57	51.6 Å²	51.6	31%	0.305	30%	0.297	S	S	.	.			trans	-94.4	107.4	168.8	-174.7	-3.4	0	0	0	110.1	T312 H313	D310-T312 PolarHBondContact O-N 3.44Å; D310-T312 WeakPolarHBondContact OD1-CB 3.19Å; D310-T312 PolarHBondContact OD1-N 2.93Å; D310-T312 PolarHBondContact OD1-OG1 2.82Å; D310-T312 PolarHBondContact OD2-OG1 2.85Å; D310-T312 VanDerWaalsContact OD2-OG1 3.12Å; D310-H313 CarbonylContact O-C 3.52Å; D310-H313 VanDerWaalsContact O-C 3.29Å; D310-H313 PolarHBondContact O-N 2.85Å; D310-H313 IonicContact OD2-CE1 2.73Å; D310-H313 IonicContact OD2-CG 3.83Å; D310-H313 IonicContact OD2-ND1 2.97Å; D310-H313 PolarHBondContact OD2-ND1 2.99Å
311	P	80.1	Confident	91.5	Very high	87 Å²	87	44.5 Å²	44.5	57%	0.565	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.7	178.4	29.2	-34.9	0	0	0	113	G309	G309-P311 WeakPolarHBondContact O-CD 3.22Å
312	T	83.3	Confident	91.5	Very high	69 Å²	69	37.4 Å²	37.4	42%	0.423	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-21.1	177.6	66.1	0	0	0	0	113.3	D310	D310-T312 PolarHBondContact O-N 3.44Å; D310-T312 WeakPolarHBondContact OD1-CB 3.19Å; D310-T312 PolarHBondContact OD1-N 2.93Å; D310-T312 PolarHBondContact OD1-OG1 2.82Å; D310-T312 PolarHBondContact OD2-OG1 2.85Å; D310-T312 VanDerWaalsContact OD2-OG1 3.12Å
313	H	88.6	Confident	91.6	Very high	43 Å²	43	36 Å²	36	20%	0.199	23%	0.226	C	C	.	.	S	Bend	trans	-135.2	72.6	175.8	-53.8	94.3	0	0	0	108.5	D310	D310-H313 CarbonylContact O-C 3.52Å; D310-H313 VanDerWaalsContact O-C 3.29Å; D310-H313 PolarHBondContact O-N 2.85Å; D310-H313 IonicContact OD2-CE1 2.73Å; D310-H313 IonicContact OD2-CG 3.83Å; D310-H313 IonicContact OD2-ND1 2.97Å; D310-H313 PolarHBondContact OD2-ND1 2.99Å
314	P	91.6	Very high	91.5	Very high	40 Å²	40	37.5 Å²	37.5	26%	0.26	23%	0.231	S	C	.	.			trans	-63.2	155.8	179.4	29.5	-35.8	0	0	0	110.7	P200 Q251 V316	P200-P314 HydrophobicContact CG-CB 3.99Å; P200-P314 HydrophobicContact CG-CG 4.27Å; Q251-P314 HydrophobicContact CG-CB 3.95Å; Q251-P314 HydrophobicContact CG-CG 3.88Å; P314-V316 PolarHBondContact O-N 2.78Å; P314-V316 VanDerWaalsContact O-N 3.13Å
315	V	94.2	Very high	91.4	Very high	19 Å²	19	39.5 Å²	39.5	12%	0.115	24%	0.244	C	C	.	.			trans	-62.5	117	174.3	-178.2	0	0	0	0	108.9	G250 Q251 P268 F306 V307	G250-V315 CarbonylContact C-O 3.56Å; G250-V315 WeakPolarHBondContact CA-O 3.39Å; Q251-V315 PolarHBondContact N-O 2.82Å; P268-V315 HydrophobicContact CB-CG1 3.74Å; P268-V315 HydrophobicContact CG-CG1 3.98Å; F306-V315 HydrophobicContact CB-CG1 3.82Å; F306-V315 HydrophobicContact CB-CG2 3.81Å; F306-V315 HydrophobicContact CD1-CG1 3.58Å; F306-V315 HydrophobicContact CD2-CG1 3.96Å; F306-V315 HydrophobicContact CE1-CG1 4.07Å; F306-V315 HydrophobicContact CE2-CG1 4.42Å; F306-V315 HydrophobicContact CG-CG1 3.52Å; F306-V315 HydrophobicContact CG-CG2 4.44Å; F306-V315 HydrophobicContact CZ-CG1 4.47Å; V307-V315 VanDerWaalsContact O-CG2 3.27Å; V307-V315 WeakPolarHBondContact O-CG2 3.13Å
316	V	95.1	Very high	91.3	Very high	47 Å²	47	42.2 Å²	42.2	29%	0.285	27%	0.271	S	S	.	.			trans	-138.7	149.2	-177.4	61.6	0	0	0	0	109.7	Q251 P314 H318	Q251-V316 HydrophobicContact CB-CB 4.14Å; Q251-V316 HydrophobicContact CB-CG2 4.09Å; Q251-V316 HydrophobicContact CG-CB 4.15Å; Q251-V316 HydrophobicContact CG-CG2 4.42Å; P314-V316 PolarHBondContact O-N 2.78Å; P314-V316 VanDerWaalsContact O-N 3.13Å; V316-H318 WeakPolarHBondContact CG1-NE2 3.42Å
317	L	97.4	Very high	91.3	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.031	28%	0.282	C	S	.	.			trans	-99.3	116.6	169.9	-54.1	-179.5	0	0	0	107.8	L266 P268 I280 L319 A330 V332 F364	L266-L317 HydrophobicContact CB-CD1 4.07Å; L266-L317 HydrophobicContact CD1-CD1 4.36Å; P268-L317 HydrophobicContact CB-CD2 4.04Å; P268-L317 HydrophobicContact CB-CG 4.21Å; P268-L317 HydrophobicContact CG-CD1 4.44Å; P268-L317 HydrophobicContact CG-CD2 4.25Å; P268-L317 HydrophobicContact CG-CG 3.93Å; I280-L317 HydrophobicContact CD1-CD1 4.3Å; I280-L317 HydrophobicContact CD1-CD2 3.86Å; I280-L317 HydrophobicContact CG2-CD1 3.94Å; L317-L319 HydrophobicContact CB-CD2 4.16Å; L317-L319 HydrophobicContact CB-CG 4.27Å; L317-L319 PolarHBondContact O-N 2.84Å; L317-A330 HydrophobicContact CB-CB 4.37Å; L317-V332 HydrophobicContact CD2-CG1 3.4Å; L317-F364 HydrophobicContact CD1-CE2 4.44Å
318	H	97.2	Very high	91.6	Very high	45 Å²	45	43.9 Å²	43.9	21%	0.208	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	105.5	169.5	-72.3	-92.2	0	0	0	108	V316 A330 L331 A382 T383 F384	V316-H318 WeakPolarHBondContact CG1-NE2 3.42Å; H318-A330 CarbonylContact O-C 3.51Å; H318-A330 WeakPolarHBondContact O-CA 3.39Å; H318-L331 HydrophobicContact CB-CB 4.33Å; H318-L331 PolarHBondContact N-O 2.83Å; H318-L331 VanDerWaalsContact N-O 3.16Å; H318-L331 PolarHBondContact O-N 3.29Å; H318-A382 PolarHBondContact CD2-O 2.55Å; H318-T383 WeakPolarHBondContact ND1-CB 3.32Å; H318-T383 PolarHBondContact ND1-OG1 3.25Å; H318-T383 VanDerWaalsContact ND1-OG1 3.16Å; H318-F384 VanDerWaalsContact O-CE2 3.29Å; H318-F384 WeakPolarHBondContact O-CE2 3.48Å
319	L	97.6	Very high	92.2	Very high	49 Å²	49	42.4 Å²	42.4	26%	0.257	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	145.6	-171.1	-62	166.4	0	0	0	111.5	V255 L266 L317 D329 A330 F364	V255-L319 HydrophobicContact CB-CD1 3.82Å; V255-L319 HydrophobicContact CG1-CD1 3.78Å; V255-L319 HydrophobicContact CG2-CD1 4.31Å; L266-L319 HydrophobicContact CD1-CD1 4.13Å; L266-L319 HydrophobicContact CD1-CD2 4.01Å; L317-L319 HydrophobicContact CB-CD2 4.16Å; L317-L319 HydrophobicContact CB-CG 4.27Å; L317-L319 PolarHBondContact O-N 2.84Å; L319-D329 CarbonylContact C-O 3.47Å; L319-D329 VanDerWaalsContact CA-O 3.23Å; L319-D329 WeakPolarHBondContact CA-O 3.22Å; L319-D329 WeakPolarHBondContact CD2-O 3.21Å; L319-A330 HydrophobicContact CD2-CB 3.73Å; L319-F364 HydrophobicContact CD2-CZ 4.07Å
320	G	96.4	Very high	93.1	Very high	12 Å²	12	38.7 Å²	38.7	12%	0.124	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.5	146.6	177.2	0	0	0	0	0	111.2	Y322 D329 L393	G320-Y322 PolarHBondContact O-N 3.43Å; G320-D329 PolarHBondContact N-O 2.92Å; G320-D329 CarbonylContact O-C 3.59Å; G320-D329 WeakPolarHBondContact O-CA 3.09Å; G320-D329 VanDerWaalsContact O-CB 3.25Å; G320-D329 WeakPolarHBondContact O-CB 3.48Å; G320-D329 PolarHBondContact O-N 3.43Å; G320-L393 VanDerWaalsContact CA-CD1 3.47Å
321	D	95.3	Very high	93.8	Very high	37 Å²	37	36 Å²	36	20%	0.198	21%	0.214	C	C	.	.			trans	-85.3	92.6	175.6	-179.4	-2.9	0	0	0	108.8	N323 L324 D325 G326	D321-N323 VanDerWaalsContact C-N 3.35Å; D321-N323 PolarHBondContact OD1-N 3.35Å; D321-N323 PolarHBondContact OD1-OD1 3.45Å; D321-N323 VanDerWaalsContact OD1-OD1 3.07Å; D321-L324 WeakPolarHBondContact OD1-CA 3.45Å; D321-L324 PolarHBondContact OD1-N 2.81Å; D321-L324 WeakPolarHBondContact OD2-CA 3.29Å; D321-D325 PolarHBondContact OD1-N 2.94Å; D321-D325 PolarHBondContact OD2-N 2.96Å; D321-G326 VanDerWaalsContact OD2-CA 3.3Å; D321-G326 WeakPolarHBondContact OD2-CA 3.37Å; D321-G326 PolarHBondContact OD2-N 2.71Å
322	Y	92.4	Very high	94.6	Very high	8 Å²	8	31.9 Å²	31.9	3%	0.031	19%	0.188	C	C	.	.	S	Bend	trans	-82.5	-16.9	-173	84.4	-82	0	0	0	112.9	G320 D329 L346 E348 N414	G320-Y322 PolarHBondContact O-N 3.43Å; Y322-D329 HydrophobicContact CD1-CB 3.64Å; Y322-D329 VanDerWaalsContact CD1-CG 3.41Å; Y322-D329 WeakPolarHBondContact CD1-OD2 3.27Å; Y322-D329 HydrophobicContact CE1-CB 4Å; Y322-D329 VanDerWaalsContact CE1-CG 3.47Å; Y322-D329 VanDerWaalsContact CE1-OD2 3.25Å; Y322-D329 WeakPolarHBondContact CE1-OD2 3.46Å; Y322-D329 PolarHBondContact N-OD2 3.34Å; Y322-L346 HydrophobicContact CD1-CD1 3.81Å; Y322-L346 HydrophobicContact CD1-CD2 3.94Å; Y322-L346 HydrophobicContact CD1-CG 4.24Å; Y322-L346 HydrophobicContact CD2-CD2 3.95Å; Y322-L346 HydrophobicContact CE1-CD1 4.06Å; Y322-L346 HydrophobicContact CE1-CD2 3.58Å; Y322-L346 HydrophobicContact CE1-CG 3.99Å; Y322-L346 HydrophobicContact CE2-CD2 3.54Å; Y322-L346 HydrophobicContact CG-CD1 4.25Å; Y322-L346 HydrophobicContact CG-CD2 4.16Å; Y322-E348 HydrophobicContact CE1-CG 4.39Å; Y322-E348 PolarHBondContact OH-OE2 3.34Å; Y322-N414 PolarHBondContact O-ND2 3.44Å
323	N	92.8	Very high	95.3	Very high	20 Å²	20	29.7 Å²	29.7	11%	0.107	17%	0.173	C	C	.	.	S	Bend	trans	-115.5	7.9	-176	67.3	9.2	0	0	0	112.7	D321 D325 F416	D321-N323 VanDerWaalsContact C-N 3.35Å; D321-N323 PolarHBondContact OD1-N 3.35Å; D321-N323 PolarHBondContact OD1-OD1 3.45Å; D321-N323 VanDerWaalsContact OD1-OD1 3.07Å; N323-D325 PolarHBondContact O-N 3.39Å; N323-D325 VanDerWaalsContact OD1-CB 3.26Å; N323-D325 WeakPolarHBondContact OD1-CB 3.36Å; N323-D325 PolarHBondContact OD1-N 2.81Å; N323-D325 VanDerWaalsContact OD1-N 3.15Å; N323-D325 PolarHBondContact OD1-OD1 3.49Å; N323-F416 HydrophobicContact CB-CE2 4.21Å; N323-F416 WeakPolarHBondContact O-CE1 3.22Å; N323-F416 WeakPolarHBondContact O-CE2 3.29Å; N323-F416 WeakPolarHBondContact O-CZ 3.43Å
324	L	93.1	Very high	95.6	Very high	83 Å²	83	27.7 Å²	27.7	44%	0.435	16%	0.164	S	C	.	.			trans	53	35.1	178.5	-54.9	179.8	0	0	0	113	D321 G326 I392 F416 A418	D321-L324 WeakPolarHBondContact OD1-CA 3.45Å; D321-L324 PolarHBondContact OD1-N 2.81Å; D321-L324 WeakPolarHBondContact OD2-CA 3.29Å; L324-G326 VanDerWaalsContact C-N 3.28Å; L324-I392 HydrophobicContact CD1-CG1 4.37Å; L324-F416 HydrophobicContact CB-CE1 3.97Å; L324-F416 HydrophobicContact CD1-CD1 4.2Å; L324-F416 HydrophobicContact CD1-CE1 3.94Å; L324-F416 HydrophobicContact CG-CD1 4.34Å; L324-F416 HydrophobicContact CG-CE1 3.98Å; L324-A418 HydrophobicContact CD1-CB 4.37Å
325	D	93.4	Very high	95.8	Very high	63 Å²	63	28.8 Å²	28.8	34%	0.337	16%	0.163	S	C	.	.	S	Bend	trans	-85.7	-2	179.6	85.2	-7	0	0	0	113.5	D321 N323 F327 R362	D321-D325 PolarHBondContact OD1-N 2.94Å; D321-D325 PolarHBondContact OD2-N 2.96Å; N323-D325 PolarHBondContact O-N 3.39Å; N323-D325 VanDerWaalsContact OD1-CB 3.26Å; N323-D325 WeakPolarHBondContact OD1-CB 3.36Å; N323-D325 PolarHBondContact OD1-N 2.81Å; N323-D325 VanDerWaalsContact OD1-N 3.15Å; N323-D325 PolarHBondContact OD1-OD1 3.49Å; D325-F327 WeakPolarHBondContact O-CD2 3.49Å; D325-F327 WeakPolarHBondContact OD1-CA 3.36Å; D325-F327 WeakPolarHBondContact OD1-CB 3.06Å; D325-F327 WeakPolarHBondContact OD1-CD2 3.06Å; D325-F327 PolarHBondContact OD1-N 3.33Å; D325-R362 IonicContact OD2-NH2 2.73Å
326	G	94	Very high	95.8	Very high	56 Å²	56	29.1 Å²	29.1	58%	0.577	16%	0.164	S	C	*	.	S	Bend	trans	88.8	5.2	179.8	0	0	0	0	0	113.5	D321 L324	D321-G326 VanDerWaalsContact OD2-CA 3.3Å; D321-G326 WeakPolarHBondContact OD2-CA 3.37Å; D321-G326 PolarHBondContact OD2-N 2.71Å; L324-G326 VanDerWaalsContact C-N 3.28Å
327	F	96.8	Very high	95.6	Very high	54 Å²	54	27.7 Å²	27.7	24%	0.237	16%	0.155	C	C	.	.	S	Bend	trans	-127.5	142.1	180	-55.6	-87.2	0	0	0	112.3	D258 D325 D329 R362	D258-F327 WeakPolarHBondContact O-CE1 3.42Å; D325-F327 WeakPolarHBondContact O-CD2 3.49Å; D325-F327 WeakPolarHBondContact OD1-CA 3.36Å; D325-F327 WeakPolarHBondContact OD1-CB 3.06Å; D325-F327 WeakPolarHBondContact OD1-CD2 3.06Å; D325-F327 PolarHBondContact OD1-N 3.33Å; F327-D329 PolarHBondContact O-N 3.3Å; F327-R362 VanDerWaalsContact CD1-CZ 3.48Å; F327-R362 VanDerWaalsContact CD1-NH1 3.29Å; F327-R362 VanDerWaalsContact CD2-CZ 3.42Å
328	P	97.1	Very high	95.1	Very high	17 Å²	17	32.5 Å²	32.5	11%	0.11	19%	0.19	C	C	.	.			trans	-73.3	122.1	-178	30.3	-36.6	0	0	0	111.1	V255 D256 N349	V255-P328 HydrophobicContact CB-CG 4.42Å; V255-P328 HydrophobicContact CG1-CB 4.48Å; V255-P328 HydrophobicContact CG1-CG 3.94Å; V255-P328 HydrophobicContact CG2-CB 3.67Å; V255-P328 HydrophobicContact CG2-CG 3.6Å; D256-P328 WeakPolarHBondContact O-CD 3.48Å; D256-P328 VanDerWaalsContact O-CG 3.29Å; D256-P328 WeakPolarHBondContact O-CG 3.41Å; P328-N349 WeakPolarHBondContact O-CB 3.45Å; P328-N349 PolarHBondContact O-ND2 3.44Å
329	D	97.8	Very high	94.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	177.4	165.6	-55.7	-68.8	0	0	0	110.6	L319 G320 Y322 F327 L347 E348 N349	L319-D329 CarbonylContact C-O 3.47Å; L319-D329 VanDerWaalsContact CA-O 3.23Å; L319-D329 WeakPolarHBondContact CA-O 3.22Å; L319-D329 WeakPolarHBondContact CD2-O 3.21Å; G320-D329 PolarHBondContact N-O 2.92Å; G320-D329 CarbonylContact O-C 3.59Å; G320-D329 WeakPolarHBondContact O-CA 3.09Å; G320-D329 VanDerWaalsContact O-CB 3.25Å; G320-D329 WeakPolarHBondContact O-CB 3.48Å; G320-D329 PolarHBondContact O-N 3.43Å; Y322-D329 HydrophobicContact CD1-CB 3.64Å; Y322-D329 VanDerWaalsContact CD1-CG 3.41Å; Y322-D329 WeakPolarHBondContact CD1-OD2 3.27Å; Y322-D329 HydrophobicContact CE1-CB 4Å; Y322-D329 VanDerWaalsContact CE1-CG 3.47Å; Y322-D329 VanDerWaalsContact CE1-OD2 3.25Å; Y322-D329 WeakPolarHBondContact CE1-OD2 3.46Å; Y322-D329 PolarHBondContact N-OD2 3.34Å; F327-D329 PolarHBondContact O-N 3.3Å; D329-L347 WeakPolarHBondContact CB-O 3.49Å; D329-E348 WeakPolarHBondContact OD1-CA 3.32Å; D329-E348 WeakPolarHBondContact OD1-CG 3.27Å; D329-N349 PolarHBondContact OD1-N 3.38Å
330	A	98.2	Very high	93.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143.6	176	0	0	0	0	0	112.9	L317 H318 L319 V332 L347 F364	L317-A330 HydrophobicContact CB-CB 4.37Å; H318-A330 CarbonylContact O-C 3.51Å; H318-A330 WeakPolarHBondContact O-CA 3.39Å; L319-A330 HydrophobicContact CD2-CB 3.73Å; A330-V332 HydrophobicContact CB-CG1 4.48Å; A330-L347 HydrophobicContact CB-CB 4.06Å; A330-L347 HydrophobicContact CB-CD1 4.22Å; A330-L347 HydrophobicContact CB-CG 4.37Å; A330-L347 PolarHBondContact N-O 2.85Å; A330-L347 WeakPolarHBondContact O-CB 3.26Å; A330-L347 PolarHBondContact O-N 3.09Å; A330-F364 HydrophobicContact CB-CE1 3.85Å; A330-F364 HydrophobicContact CB-CZ 3.86Å
331	L	97.4	Very high	93.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.2	168.3	-167.2	62	0	0	0	108.8	H318 L346 L373 A382 F384 M395	H318-L331 HydrophobicContact CB-CB 4.33Å; H318-L331 PolarHBondContact N-O 2.83Å; H318-L331 VanDerWaalsContact N-O 3.16Å; H318-L331 PolarHBondContact O-N 3.29Å; L331-L346 HydrophobicContact CD1-CD1 4.48Å; L331-L373 HydrophobicContact CD1-CD1 4.48Å; L331-L373 HydrophobicContact CD1-CD2 3.96Å; L331-A382 HydrophobicContact CD1-CB 4.5Å; L331-A382 HydrophobicContact CD2-CB 3.64Å; L331-A382 HydrophobicContact CG-CB 3.71Å; L331-F384 HydrophobicContact CB-CD2 4.36Å; L331-F384 HydrophobicContact CB-CE1 4.43Å; L331-F384 HydrophobicContact CB-CE2 3.86Å; L331-F384 HydrophobicContact CB-CZ 3.91Å; L331-M395 HydrophobicContact CD1-SD 4.06Å; L331-M395 HydrophobicContact CD2-CB 4.16Å; L331-M395 HydrophobicContact CD2-CG 4.02Å; L331-M395 HydrophobicContact CD2-SD 4.22Å
332	V	97.1	Very high	93.5	Very high	1 Å²	1	37 Å²	37	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	158.2	-173.7	-60.3	0	0	0	0	112.2	F306 L317 A330 L334 A344 F345 L347	F306-V332 HydrophobicContact CE1-CB 4.42Å; F306-V332 HydrophobicContact CE1-CG1 4.43Å; L317-V332 HydrophobicContact CD2-CG1 3.4Å; A330-V332 HydrophobicContact CB-CG1 4.48Å; V332-L334 HydrophobicContact CG2-CD1 4.39Å; V332-L334 HydrophobicContact CG2-CD2 4.06Å; V332-L334 HydrophobicContact CG2-CG 3.97Å; V332-A344 CarbonylContact O-C 3.53Å; V332-A344 VanDerWaalsContact O-CA 3.31Å; V332-A344 WeakPolarHBondContact O-CA 3.47Å; V332-F345 HydrophobicContact CG2-CB 4.25Å; V332-F345 PolarHBondContact N-O 3.39Å; V332-F345 PolarHBondContact O-N 3.07Å; V332-L347 HydrophobicContact CB-CD1 4.43Å; V332-L347 HydrophobicContact CG1-CD1 3.67Å; V332-L347 HydrophobicContact CG1-CG 4.16Å; V332-L347 HydrophobicContact CG2-CD1 3.85Å; V332-L347 HydrophobicContact CG2-CD2 3.89Å; V332-L347 HydrophobicContact CG2-CG 3.77Å
333	I	96.7	Very high	93.7	Very high	24 Å²	24	39.7 Å²	39.7	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.5	169.9	-58.3	-56.4	0	0	0	109.5	V307 Q342 R343 A344 A379 A382	V307-I333 HydrophobicContact CG2-CG2 4.05Å; I333-Q342 HydrophobicContact CG2-CG 3.49Å; I333-Q342 VanDerWaalsContact CG2-CG 3.49Å; I333-Q342 VanDerWaalsContact CG2-NE2 3.32Å; I333-R343 WeakPolarHBondContact CA-O 3.4Å; I333-A344 HydrophobicContact CD1-CB 3.8Å; I333-A379 HydrophobicContact CD1-CB 3.96Å; I333-A379 VanDerWaalsContact CG2-O 3.28Å; I333-A379 WeakPolarHBondContact CG2-O 3.42Å; I333-A382 HydrophobicContact CD1-CB 3.73Å
334	L	95.9	Very high	93.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	151.6	174.7	-54.1	177.2	0	0	0	110.4	F297 W304 G305 F306 V332 Q342 R343 F345	F297-L334 HydrophobicContact CD1-CD1 4.03Å; F297-L334 HydrophobicContact CD1-CD2 4.09Å; F297-L334 HydrophobicContact CE1-CD1 4.32Å; F297-L334 HydrophobicContact CE1-CD2 3.86Å; W304-L334 HydrophobicContact CB-CB 4.3Å; W304-L334 HydrophobicContact CB-CD1 4.33Å; W304-L334 HydrophobicContact CE3-CB 3.85Å; G305-L334 CarbonylContact O-C 3.49Å; G305-L334 WeakPolarHBondContact O-CA 3.47Å; F306-L334 HydrophobicContact CD1-CD2 3.66Å; F306-L334 HydrophobicContact CE1-CD2 3.85Å; F306-L334 HydrophobicContact CG-CD2 4.45Å; V332-L334 HydrophobicContact CG2-CD1 4.39Å; V332-L334 HydrophobicContact CG2-CD2 4.06Å; V332-L334 HydrophobicContact CG2-CG 3.97Å; L334-Q342 WeakPolarHBondContact O-CA 3.18Å; L334-R343 PolarHBondContact N-O 3.07Å; L334-R343 PolarHBondContact O-N 2.91Å; L334-F345 HydrophobicContact CB-CD2 3.64Å; L334-F345 HydrophobicContact CB-CE2 3.81Å; L334-F345 HydrophobicContact CD1-CB 4.1Å; L334-F345 HydrophobicContact CD1-CD2 3.72Å; L334-F345 HydrophobicContact CD1-CE2 4.32Å; L334-F345 HydrophobicContact CD1-CG 3.93Å; L334-F345 HydrophobicContact CG-CB 4.48Å; L334-F345 HydrophobicContact CG-CD2 3.78Å; L334-F345 HydrophobicContact CG-CE2 4.41Å; L334-F345 HydrophobicContact CG-CG 4.38Å
335	R	94.9	Very high	94	Very high	63 Å²	63	35.6 Å²	35.6	24%	0.238	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	148.4	169.4	61.7	172.8	-173.1	147.1	3.8	111.7	A274 W304 G305 F306 V307 T337 D341 Q342	A274-R335 PolarHBondContact O-NH2 2.81Å; W304-R335 CarbonylContact C-O 3.44Å; W304-R335 VanDerWaalsContact CA-O 3.22Å; W304-R335 WeakPolarHBondContact CA-O 3.18Å; G305-R335 PolarHBondContact N-O 3.07Å; G305-R335 WeakPolarHBondContact O-CG 3.26Å; G305-R335 PolarHBondContact O-N 2.03Å; F306-R335 PolarHBondContact O-NE 2.84Å; V307-R335 HydrophobicContact CG2-CB 3.89Å; V307-R335 HydrophobicContact CG2-CG 3.93Å; R335-T337 PolarHBondContact O-N 2.91Å; R335-D341 CarbonylContact C-O 3.5Å; R335-D341 WeakPolarHBondContact CA-O 3.37Å; R335-Q342 HydrophobicContact CB-CB 4.42Å; R335-Q342 HydrophobicContact CB-CG 4.45Å
336	N	94.4	Very high	94.2	Very high	26 Å²	26	32.6 Å²	32.6	14%	0.139	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	118.5	166.2	-177.2	-32.9	0	0	0	108.5	W304 S338 G339 D341	W304-N336 HydrophobicContact CD2-CB 4.37Å; W304-N336 HydrophobicContact CE3-CB 4.42Å; W304-N336 VanDerWaalsContact CE3-N 3.31Å; W304-N336 HydrophobicContact CH2-CB 4.25Å; W304-N336 HydrophobicContact CZ2-CB 4.2Å; W304-N336 HydrophobicContact CZ3-CB 4.35Å; N336-S338 PolarHBondContact O-N 2.95Å; N336-S338 PolarHBondContact OD1-N 2.93Å; N336-G339 CarbonylContact O-C 3.52Å; N336-G339 PolarHBondContact O-N 3.18Å; N336-G339 VanDerWaalsContact O-N 3.11Å; N336-D341 HydrophobicContact CB-CB 4.24Å; N336-D341 PolarHBondContact N-O 3.34Å
337	T	92	Very high	94.4	Very high	17 Å²	17	30 Å²	30	10%	0.104	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-19.1	-172.4	64.8	0	0	0	0	113.6	Q276 V303 R335	Q276-T337 VanDerWaalsContact OE1-CB 3.29Å; V303-T337 HydrophobicContact CG1-CG2 4.14Å; V303-T337 PolarHBondContact O-N 2.95Å; V303-T337 PolarHBondContact O-OG1 3.47Å; V303-T337 VanDerWaalsContact O-OG1 3.12Å; R335-T337 PolarHBondContact O-N 2.91Å
338	S	86.8	Confident	94.4	Very high	108 Å²	108	28.5 Å²	28.5	76%	0.755	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-7.4	176.3	-58.2	0	0	0	0	113.4	N336	N336-S338 PolarHBondContact O-N 2.95Å; N336-S338 PolarHBondContact OD1-N 2.93Å
339	G	84.4	Confident	94.5	Very high	45 Å²	45	27.7 Å²	27.7	46%	0.464	17%	0.165	S	C	.	.	S	Bend	trans	-139.6	-156.7	-175.7	0	0	0	0	0	112.7	N336	N336-G339 CarbonylContact O-C 3.52Å; N336-G339 PolarHBondContact O-N 3.18Å; N336-G339 VanDerWaalsContact O-N 3.11Å
340	S	82.4	Confident	94.5	Very high	118 Å²	118	29 Å²	29	83%	0.825	17%	0.171	S	C	*	.	S	Bend	trans	-119.8	9.6	177	66.8	0	0	0	0	113.1
341	D	91.4	Very high	94.5	Very high	42 Å²	42	33.4 Å²	33.4	23%	0.225	20%	0.201	C	C	.	.			trans	-71.6	129.9	177.9	-169.5	10.5	0	0	0	109.3	W304 R335 N336 R343	W304-D341 HydrophobicContact CH2-CB 4.4Å; R335-D341 CarbonylContact C-O 3.5Å; R335-D341 WeakPolarHBondContact CA-O 3.37Å; N336-D341 HydrophobicContact CB-CB 4.24Å; N336-D341 PolarHBondContact N-O 3.34Å; D341-R343 IonicContact OD1-CZ 2.9Å; D341-R343 IonicContact OD1-NE 3.22Å; D341-R343 PolarHBondContact OD1-NE 3.29Å; D341-R343 IonicContact OD1-NH2 2.73Å; D341-R343 IonicContact OD2-CZ 2.68Å; D341-R343 VanDerWaalsContact OD2-CZ 3.22Å; D341-R343 IonicContact OD2-NE 3.98Å; D341-R343 PolarHBondContact OD2-NE 3.07Å; D341-R343 IonicContact OD2-NH2 4Å; D341-R343 PolarHBondContact OD2-NH2 2.91Å
342	Q	94.1	Very high	94.5	Very high	33 Å²	33	34.9 Å²	34.9	15%	0.154	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	125.6	-175.4	-173	178.6	-44.7	0	0	108.7	V307 I333 L334 R335 K378 A379	V307-Q342 VanDerWaalsContact CG2-CD 3.46Å; V307-Q342 HydrophobicContact CG2-CG 3.8Å; I333-Q342 HydrophobicContact CG2-CG 3.49Å; I333-Q342 VanDerWaalsContact CG2-CG 3.49Å; I333-Q342 VanDerWaalsContact CG2-NE2 3.32Å; L334-Q342 WeakPolarHBondContact O-CA 3.18Å; R335-Q342 HydrophobicContact CB-CB 4.42Å; R335-Q342 HydrophobicContact CB-CG 4.45Å; Q342-K378 WeakPolarHBondContact O-CA 3.35Å; Q342-K378 PolarHBondContact O-N 2.93Å; Q342-A379 VanDerWaalsContact CD-O 3.28Å; Q342-A379 VanDerWaalsContact CG-O 3.23Å; Q342-A379 WeakPolarHBondContact CG-O 3.17Å; Q342-A379 PolarHBondContact NE2-O 2.84Å; Q342-A379 PolarHBondContact O-N 2.04Å; Q342-A379 VanDerWaalsContact O-N 3.16Å
343	R	95.9	Very high	94.4	Very high	63 Å²	63	40.3 Å²	40.3	24%	0.238	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	162	-171.8	-55.8	-172	-170.6	-168.9	10.8	111.1	W304 I333 L334 D341 F345 G374	W304-R343 HydrophobicContact CH2-CG 4.3Å; W304-R343 HydrophobicContact CZ3-CB 4.49Å; W304-R343 HydrophobicContact CZ3-CG 4.49Å; I333-R343 WeakPolarHBondContact CA-O 3.4Å; L334-R343 PolarHBondContact N-O 3.07Å; L334-R343 PolarHBondContact O-N 2.91Å; D341-R343 IonicContact OD1-CZ 2.9Å; D341-R343 IonicContact OD1-NE 3.22Å; D341-R343 PolarHBondContact OD1-NE 3.29Å; D341-R343 IonicContact OD1-NH2 2.73Å; D341-R343 IonicContact OD2-CZ 2.68Å; D341-R343 VanDerWaalsContact OD2-CZ 3.22Å; D341-R343 IonicContact OD2-NE 3.98Å; D341-R343 PolarHBondContact OD2-NE 3.07Å; D341-R343 IonicContact OD2-NH2 4Å; D341-R343 PolarHBondContact OD2-NH2 2.91Å; R343-F345 HydrophobicContact CB-CD2 4.47Å; R343-F345 HydrophobicContact CB-CE2 3.8Å; R343-F345 HydrophobicContact CB-CZ 4.26Å; R343-F345 WeakPolarHBondContact O-CD2 3.47Å; R343-G374 WeakPolarHBondContact CD-O 3.42Å; R343-G374 PolarHBondContact NH1-O 2.73Å
344	A	96.7	Very high	94.2	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	143.2	170.3	0	0	0	0	0	110.7	V332 I333 L373 A382 I397	V332-A344 CarbonylContact O-C 3.53Å; V332-A344 VanDerWaalsContact O-CA 3.31Å; V332-A344 WeakPolarHBondContact O-CA 3.47Å; I333-A344 HydrophobicContact CD1-CB 3.8Å; A344-L373 HydrophobicContact CB-CD1 3.65Å; A344-L373 HydrophobicContact CB-CD2 4.34Å; A344-L373 HydrophobicContact CB-CG 3.94Å; A344-A382 HydrophobicContact CB-CB 3.76Å; A344-I397 HydrophobicContact CB-CG1 4.28Å; A344-I397 HydrophobicContact CB-CG2 4.4Å
345	F	96.7	Very high	94	Very high	16 Å²	16	47.2 Å²	47.2	7%	0.07	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.3	177.4	-69.9	-90.2	0	0	0	110.4	W304 V332 L334 R343 I366 W368	W304-F345 HydrophobicContact CD2-CE2 4.16Å; W304-F345 AromaticContact CD2-CZ 3.98Å; W304-F345 HydrophobicContact CD2-CZ 3.98Å; W304-F345 AromaticContact CE3-CE2 3.53Å; W304-F345 HydrophobicContact CE3-CE2 3.53Å; W304-F345 AromaticContact CE3-CZ 3.76Å; W304-F345 HydrophobicContact CE3-CZ 3.76Å; W304-F345 HydrophobicContact CH2-CE2 4.1Å; W304-F345 AromaticContact CH2-CZ 3.82Å; W304-F345 HydrophobicContact CH2-CZ 3.82Å; W304-F345 HydrophobicContact CZ2-CZ 4.02Å; W304-F345 AromaticContact CZ3-CE2 3.5Å; W304-F345 HydrophobicContact CZ3-CE2 3.5Å; W304-F345 AromaticContact CZ3-CZ 3.69Å; W304-F345 HydrophobicContact CZ3-CZ 3.69Å; V332-F345 HydrophobicContact CG2-CB 4.25Å; V332-F345 PolarHBondContact N-O 3.39Å; V332-F345 PolarHBondContact O-N 3.07Å; L334-F345 HydrophobicContact CB-CD2 3.64Å; L334-F345 HydrophobicContact CB-CE2 3.81Å; L334-F345 HydrophobicContact CD1-CB 4.1Å; L334-F345 HydrophobicContact CD1-CD2 3.72Å; L334-F345 HydrophobicContact CD1-CE2 4.32Å; L334-F345 HydrophobicContact CD1-CG 3.93Å; L334-F345 HydrophobicContact CG-CB 4.48Å; L334-F345 HydrophobicContact CG-CD2 3.78Å; L334-F345 HydrophobicContact CG-CE2 4.41Å; L334-F345 HydrophobicContact CG-CG 4.38Å; R343-F345 HydrophobicContact CB-CD2 4.47Å; R343-F345 HydrophobicContact CB-CE2 3.8Å; R343-F345 HydrophobicContact CB-CZ 4.26Å; R343-F345 WeakPolarHBondContact O-CD2 3.47Å; F345-I366 HydrophobicContact CB-CG2 4.34Å; F345-I366 HydrophobicContact CD1-CG2 4.1Å; F345-I366 HydrophobicContact CG-CG2 4.49Å; F345-W368 HydrophobicContact CD1-CE3 4.08Å; F345-W368 HydrophobicContact CD1-CZ3 4.26Å; F345-W368 AromaticContact CE1-CE3 3.64Å; F345-W368 HydrophobicContact CE1-CE3 3.64Å; F345-W368 AromaticContact CE1-CZ3 3.82Å; F345-W368 HydrophobicContact CE1-CZ3 3.82Å; F345-W368 HydrophobicContact CZ-CE3 4.42Å; F345-W368 HydrophobicContact CZ-CZ3 4.24Å
346	L	97.1	Very high	93.8	Very high	1 Å²	1	49 Å²	49	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129	172.9	-173.7	63.4	0	0	0	109.6	Y322 L331 R367 L373 F384 M395	Y322-L346 HydrophobicContact CD1-CD1 3.81Å; Y322-L346 HydrophobicContact CD1-CD2 3.94Å; Y322-L346 HydrophobicContact CD1-CG 4.24Å; Y322-L346 HydrophobicContact CD2-CD2 3.95Å; Y322-L346 HydrophobicContact CE1-CD1 4.06Å; Y322-L346 HydrophobicContact CE1-CD2 3.58Å; Y322-L346 HydrophobicContact CE1-CG 3.99Å; Y322-L346 HydrophobicContact CE2-CD2 3.54Å; Y322-L346 HydrophobicContact CG-CD1 4.25Å; Y322-L346 HydrophobicContact CG-CD2 4.16Å; L331-L346 HydrophobicContact CD1-CD1 4.48Å; L346-R367 HydrophobicContact CB-CB 4.29Å; L346-R367 PolarHBondContact O-N 2.85Å; L346-L373 HydrophobicContact CB-CD2 4.42Å; L346-F384 HydrophobicContact CD1-CE1 4.16Å; L346-F384 HydrophobicContact CD1-CZ 3.71Å; L346-M395 HydrophobicContact CD1-CE 4.06Å; L346-M395 HydrophobicContact CD2-CE 4.14Å
347	L	97.9	Very high	93.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	107.1	174.2	-50.6	-171.1	0	0	0	107.8	I280 L294 D329 A330 V332 F364 H365 I366	I280-L347 HydrophobicContact CD1-CD1 3.55Å; L294-L347 HydrophobicContact CD2-CD1 4Å; L294-L347 HydrophobicContact CD2-CD2 4.2Å; D329-L347 WeakPolarHBondContact CB-O 3.49Å; A330-L347 HydrophobicContact CB-CB 4.06Å; A330-L347 HydrophobicContact CB-CD1 4.22Å; A330-L347 HydrophobicContact CB-CG 4.37Å; A330-L347 PolarHBondContact N-O 2.85Å; A330-L347 WeakPolarHBondContact O-CB 3.26Å; A330-L347 PolarHBondContact O-N 3.09Å; V332-L347 HydrophobicContact CB-CD1 4.43Å; V332-L347 HydrophobicContact CG1-CD1 3.67Å; V332-L347 HydrophobicContact CG1-CG 4.16Å; V332-L347 HydrophobicContact CG2-CD1 3.85Å; V332-L347 HydrophobicContact CG2-CD2 3.89Å; V332-L347 HydrophobicContact CG2-CG 3.77Å; L347-F364 HydrophobicContact CB-CB 4.17Å; L347-F364 HydrophobicContact CB-CD1 3.77Å; L347-F364 HydrophobicContact CB-CE1 4.38Å; L347-F364 HydrophobicContact CB-CG 4.09Å; L347-F364 HydrophobicContact CD1-CG 4.47Å; L347-H365 CarbonylContact C-O 3.49Å; L347-H365 WeakPolarHBondContact CA-O 3.46Å; L347-I366 HydrophobicContact CD2-CB 4.09Å; L347-I366 HydrophobicContact CD2-CG1 3.49Å; L347-I366 VanDerWaalsContact CD2-CG1 3.49Å; L347-I366 HydrophobicContact CD2-CG2 4.25Å
348	E	97.5	Very high	93.8	Very high	24 Å²	24	51 Å²	51	11%	0.112	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	134.6	178.3	-171.1	172.5	126.3	0	0	110.8	Y322 D329 I350 F364 H365 R367	Y322-E348 HydrophobicContact CE1-CG 4.39Å; Y322-E348 PolarHBondContact OH-OE2 3.34Å; D329-E348 WeakPolarHBondContact OD1-CA 3.32Å; D329-E348 WeakPolarHBondContact OD1-CG 3.27Å; E348-I350 HydrophobicContact CB-CG2 4.3Å; E348-I350 HydrophobicContact CG-CG2 3.89Å; E348-I350 PolarHBondContact O-N 3.26Å; E348-F364 CarbonylContact O-C 3.33Å; E348-F364 WeakPolarHBondContact O-CA 3.45Å; E348-H365 PolarHBondContact N-O 3.35Å; E348-H365 PolarHBondContact O-N 3.36Å; E348-R367 HydrophobicContact CB-CG 4.22Å; E348-R367 IonicContact OE1-CZ 3.02Å; E348-R367 IonicContact OE1-NE 3.78Å; E348-R367 IonicContact OE1-NH2 3.94Å; E348-R367 PolarHBondContact OE1-NH2 2.83Å; E348-R367 IonicContact OE2-CZ 3.72Å; E348-R367 IonicContact OE2-NE 2.91Å; E348-R367 PolarHBondContact OE2-NE 2.77Å; E348-R367 IonicContact OE2-NH2 3.01Å; E348-R367 PolarHBondContact OE2-NH2 2.8Å
349	N	98.3	Very high	94.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	108.7	177.2	-171.5	-5.3	0	0	0	109.9	F257 P328 D329 R362 F364	F257-N349 VanDerWaalsContact CD2-ND2 3.25Å; F257-N349 WeakPolarHBondContact CD2-ND2 3.5Å; F257-N349 HydrophobicContact CE2-CB 4.24Å; F257-N349 WeakPolarHBondContact CE2-ND2 3.31Å; F257-N349 VanDerWaalsContact CZ-OD1 3.26Å; F257-N349 WeakPolarHBondContact CZ-OD1 3.14Å; F257-N349 PolarHBondContact O-ND2 3.16Å; P328-N349 WeakPolarHBondContact O-CB 3.45Å; P328-N349 PolarHBondContact O-ND2 3.44Å; D329-N349 PolarHBondContact OD1-N 3.38Å; N349-R362 PolarHBondContact ND2-NH1 3.41Å; N349-R362 VanDerWaalsContact ND2-NH1 3.15Å; N349-R362 VanDerWaalsContact O-CZ 3.26Å; N349-R362 PolarHBondContact O-NH1 3Å; N349-R362 PolarHBondContact O-NH2 3Å; N349-R362 WeakPolarHBondContact OD1-CB 3.46Å; N349-R362 PolarHBondContact OD1-NH1 2.83Å; N349-F364 HydrophobicContact CB-CD1 4.21Å; N349-F364 HydrophobicContact CB-CE1 4.12Å
350	I	97.9	Very high	94.6	Very high	26 Å²	26	48.4 Å²	48.4	13%	0.133	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	161.7	-173.1	63.3	163.1	0	0	0	111.4	E348 C352 R362 M363 H365	E348-I350 HydrophobicContact CB-CG2 4.3Å; E348-I350 HydrophobicContact CG-CG2 3.89Å; E348-I350 PolarHBondContact O-N 3.26Å; I350-C352 PolarHBondContact O-N 3.13Å; I350-R362 WeakPolarHBondContact O-CA 3.32Å; I350-M363 HydrophobicContact CD1-CG 4.28Å; I350-M363 HydrophobicContact CG1-CG 3.79Å; I350-M363 PolarHBondContact N-O 3.02Å; I350-M363 PolarHBondContact O-N 2.8Å; I350-H365 HydrophobicContact CD1-CB 3.57Å; I350-H365 HydrophobicContact CG1-CB 3.89Å; I350-H365 HydrophobicContact CG2-CB 4.36Å
351	P	97.8	Very high	95.2	Very high	94 Å²	94	44.9 Å²	44.9	61%	0.61	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.4	134	169.1	-26.4	35.6	0	0	0	111.8	N353	P351-N353 PolarHBondContact O-N 3.44Å
352	C	97.4	Very high	95.5	Very high	30 Å²	30	43.8 Å²	43.8	20%	0.203	27%	0.265	C	S	.	.			trans	-59.4	124.7	179.2	173.1	0	0	0	0	110.4	I350 V354 C357 S358 G361	I350-C352 PolarHBondContact O-N 3.13Å; C352-V354 PolarHBondContact SG-O 2.97Å; C352-C357 HydrophobicContact CB-CB 3.94Å; C352-C357 WeakPolarHBondContact CB-SG 3.33Å; C352-C357 WeakPolarHBondContact SG-CA 3.18Å; C352-C357 WeakPolarHBondContact SG-CB 3.47Å; C352-C357 PolarHBondContact SG-O 2.88Å; C352-C357 VanDerWaalsContact SG-O 3.4Å; C352-C357 CovalentContact SG-SG 2.03Å; C352-C357 PolarHBondContact SG-SG 3.43Å; C352-S358 PolarHBondContact SG-N 3.42Å; C352-S358 VanDerWaalsContact SG-N 3.44Å; C352-G361 VanDerWaalsContact CB-C 3.41Å; C352-G361 WeakPolarHBondContact CB-O 3.07Å; C352-G361 PolarHBondContact N-O 3.4Å
353	N	95.4	Very high	95.7	Very high	116 Å²	116	43.2 Å²	43.2	62%	0.62	26%	0.262	S	S	*	.			trans	-118.1	5.4	179.5	66.6	18.2	0	0	0	113.4	P351 M363	P351-N353 PolarHBondContact O-N 3.44Å; N353-M363 PolarHBondContact OD1-SD 3.03Å
354	V	93.3	Very high	95.8	Very high	61 Å²	61	40.2 Å²	40.2	37%	0.37	25%	0.251	S	S	.	.	S	Bend	trans	-119.6	150.9	176.1	-64.8	0	0	0	0	111.6	C352 N356 C357 S358 M363	C352-V354 PolarHBondContact SG-O 2.97Å; V354-N356 PolarHBondContact O-N 3.13Å; V354-N356 VanDerWaalsContact O-N 3.13Å; V354-C357 WeakPolarHBondContact CG2-SG 3.35Å; V354-C357 PolarHBondContact O-N 2.81Å; V354-C357 PolarHBondContact O-SG 3.33Å; V354-S358 PolarHBondContact O-OG 2.76Å; V354-M363 HydrophobicContact CG2-CE 4.35Å; V354-M363 HydrophobicContact CG2-SD 4.12Å
355	P	92.1	Very high	95.8	Very high	107 Å²	107	43.6 Å²	43.6	70%	0.695	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-58	-31	-178.6	-26.9	35.7	0	0	0	114.3	C357 S358	P355-C357 VanDerWaalsContact C-N 3.32Å; P355-C357 PolarHBondContact O-N 3.47Å; P355-S358 WeakPolarHBondContact CA-OG 3.45Å; P355-S358 WeakPolarHBondContact O-CB 2.85Å; P355-S358 PolarHBondContact O-N 2.7Å; P355-S358 PolarHBondContact O-OG 2.86Å
356	N	90.1	Very high	95.9	Very high	102 Å²	102	43.1 Å²	43.1	55%	0.545	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-68.9	-26	-171.7	-67	11.4	0	0	0	114.3	V291 P292 V354	V291-N356 WeakPolarHBondContact CG1-O 3.29Å; P292-N356 HydrophobicContact CG-CB 3.93Å; V354-N356 PolarHBondContact O-N 3.13Å; V354-N356 VanDerWaalsContact O-N 3.13Å
357	C	93.9	Very high	95.8	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-102.9	6.8	178.1	51.8	0	0	0	0	112.9	C352 V354 P355 S359 V360 G361 M363	C352-C357 HydrophobicContact CB-CB 3.94Å; C352-C357 WeakPolarHBondContact CB-SG 3.33Å; C352-C357 WeakPolarHBondContact SG-CA 3.18Å; C352-C357 WeakPolarHBondContact SG-CB 3.47Å; C352-C357 PolarHBondContact SG-O 2.88Å; C352-C357 VanDerWaalsContact SG-O 3.4Å; C352-C357 CovalentContact SG-SG 2.03Å; C352-C357 PolarHBondContact SG-SG 3.43Å; V354-C357 WeakPolarHBondContact CG2-SG 3.35Å; V354-C357 PolarHBondContact O-N 2.81Å; V354-C357 PolarHBondContact O-SG 3.33Å; P355-C357 VanDerWaalsContact C-N 3.32Å; P355-C357 PolarHBondContact O-N 3.47Å; C357-S359 PolarHBondContact O-N 2.94Å; C357-S359 VanDerWaalsContact O-N 3.13Å; C357-V360 HydrophobicContact CB-CG2 3.98Å; C357-V360 WeakPolarHBondContact O-CG2 3.05Å; C357-V360 PolarHBondContact O-N 2.8Å; C357-G361 PolarHBondContact O-N 3.04Å; C357-M363 HydrophobicContact CB-CB 4.4Å
358	S	93.1	Very high	95.5	Very high	84 Å²	84	49.8 Å²	49.8	59%	0.587	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-27	-172.4	-65.6	0	0	0	0	113.3	C352 V354 P355 V360	C352-S358 PolarHBondContact SG-N 3.42Å; C352-S358 VanDerWaalsContact SG-N 3.44Å; V354-S358 PolarHBondContact O-OG 2.76Å; P355-S358 WeakPolarHBondContact CA-OG 3.45Å; P355-S358 WeakPolarHBondContact O-CB 2.85Å; P355-S358 PolarHBondContact O-N 2.7Å; P355-S358 PolarHBondContact O-OG 2.86Å; S358-V360 VanDerWaalsContact C-N 3.29Å; S358-V360 PolarHBondContact O-N 3.07Å
359	S	92.5	Very high	95	Very high	91 Å²	91	55 Å²	55	64%	0.636	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.2	175.9	51.3	0	0	0	0	114	C357	C357-S359 PolarHBondContact O-N 2.94Å; C357-S359 VanDerWaalsContact O-N 3.13Å
360	V	94.8	Very high	94.3	Very high	6 Å²	6	56.6 Å²	56.6	4%	0.036	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-3.1	-177.1	-58.3	0	0	0	0	113.1	I282 K284 V291 V293 C357 S358 R362	I282-V360 HydrophobicContact CG2-CB 4.22Å; I282-V360 HydrophobicContact CG2-CG1 3.83Å; I282-V360 HydrophobicContact CG2-CG2 4.03Å; K284-V360 HydrophobicContact CD-CG1 4.39Å; K284-V360 HydrophobicContact CG-CG1 3.72Å; V291-V360 HydrophobicContact CB-CG1 4.03Å; V291-V360 HydrophobicContact CG1-CG1 4.07Å; V291-V360 HydrophobicContact CG1-CG2 3.96Å; V291-V360 HydrophobicContact CG2-CG1 4.06Å; V293-V360 HydrophobicContact CG1-CG2 3.97Å; C357-V360 HydrophobicContact CB-CG2 3.98Å; C357-V360 WeakPolarHBondContact O-CG2 3.05Å; C357-V360 PolarHBondContact O-N 2.8Å; S358-V360 VanDerWaalsContact C-N 3.29Å; S358-V360 PolarHBondContact O-N 3.07Å; V360-R362 PolarHBondContact O-N 2.83Å
361	G	95.4	Very high	93.6	Very high	44 Å²	44	60.6 Å²	60.6	45%	0.454	35%	0.351	S	S	.	.	S	Bend	trans	74.1	-23.2	168	0	0	0	0	0	116.5	C352 C357	C352-G361 VanDerWaalsContact CB-C 3.41Å; C352-G361 WeakPolarHBondContact CB-O 3.07Å; C352-G361 PolarHBondContact N-O 3.4Å; C357-G361 PolarHBondContact O-N 3.04Å
362	R	97.3	Very high	93.2	Very high	19 Å²	19	58.8 Å²	58.8	7%	0.072	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	164.5	-179.4	-52.5	-157.5	92.4	-135.9	7.9	113.1	F257 D258 D325 F327 N349 I350 V360	F257-R362 HydrophobicContact CD1-CB 4.16Å; F257-R362 HydrophobicContact CE1-CB 3.68Å; F257-R362 HydrophobicContact CZ-CB 4.34Å; D258-R362 HydrophobicContact CB-CG 3.95Å; D325-R362 IonicContact OD2-NH2 2.73Å; F327-R362 VanDerWaalsContact CD1-CZ 3.48Å; F327-R362 VanDerWaalsContact CD1-NH1 3.29Å; F327-R362 VanDerWaalsContact CD2-CZ 3.42Å; N349-R362 PolarHBondContact ND2-NH1 3.41Å; N349-R362 VanDerWaalsContact ND2-NH1 3.15Å; N349-R362 VanDerWaalsContact O-CZ 3.26Å; N349-R362 PolarHBondContact O-NH1 3Å; N349-R362 PolarHBondContact O-NH2 3Å; N349-R362 WeakPolarHBondContact OD1-CB 3.46Å; N349-R362 PolarHBondContact OD1-NH1 2.83Å; I350-R362 WeakPolarHBondContact O-CA 3.32Å; V360-R362 PolarHBondContact O-N 2.83Å
363	M	98.2	Very high	92.9	Very high	22 Å²	22	57.4 Å²	57.4	11%	0.108	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	160.5	178.8	69.5	177.9	-72	0	0	111.2	V293 I350 N353 V354 C357	V293-M363 WeakPolarHBondContact O-CB 3.28Å; I350-M363 HydrophobicContact CD1-CG 4.28Å; I350-M363 HydrophobicContact CG1-CG 3.79Å; I350-M363 PolarHBondContact N-O 3.02Å; I350-M363 PolarHBondContact O-N 2.8Å; N353-M363 PolarHBondContact OD1-SD 3.03Å; V354-M363 HydrophobicContact CG2-CE 4.35Å; V354-M363 HydrophobicContact CG2-SD 4.12Å; C357-M363 HydrophobicContact CB-CB 4.4Å
364	F	98.5	Very high	92.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	146.5	169.5	-75.2	-61.1	0	0	0	111.5	F257 L266 I280 V293 L294 L317 L319 A330 L347 E348 N349	F257-F364 HydrophobicContact CD2-CE2 4.42Å; F257-F364 HydrophobicContact CD2-CZ 4.11Å; F257-F364 HydrophobicContact CE2-CD1 4.17Å; F257-F364 HydrophobicContact CE2-CD2 4.07Å; F257-F364 AromaticContact CE2-CE1 3.69Å; F257-F364 HydrophobicContact CE2-CE1 3.69Å; F257-F364 AromaticContact CE2-CE2 3.58Å; F257-F364 HydrophobicContact CE2-CE2 3.58Å; F257-F364 HydrophobicContact CE2-CG 4.35Å; F257-F364 AromaticContact CE2-CZ 3.39Å; F257-F364 HydrophobicContact CE2-CZ 3.39Å; F257-F364 HydrophobicContact CZ-CD2 4.21Å; F257-F364 HydrophobicContact CZ-CE1 4.47Å; F257-F364 HydrophobicContact CZ-CE2 4.15Å; F257-F364 HydrophobicContact CZ-CG 4.41Å; F257-F364 HydrophobicContact CZ-CZ 4.3Å; L266-F364 HydrophobicContact CD1-CE2 4.06Å; L266-F364 HydrophobicContact CD1-CZ 4.08Å; L266-F364 HydrophobicContact CD2-CE2 4.31Å; I280-F364 HydrophobicContact CD1-CD2 3.92Å; I280-F364 HydrophobicContact CD1-CE2 4.34Å; I280-F364 HydrophobicContact CG2-CD2 4.27Å; I280-F364 HydrophobicContact CG2-CE2 4.25Å; V293-F364 HydrophobicContact CG2-CD2 4.13Å; V293-F364 PolarHBondContact O-N 3.17Å; L294-F364 HydrophobicContact CB-CB 4.09Å; L294-F364 HydrophobicContact CD2-CB 4.18Å; L317-F364 HydrophobicContact CD1-CE2 4.44Å; L319-F364 HydrophobicContact CD2-CZ 4.07Å; A330-F364 HydrophobicContact CB-CE1 3.85Å; A330-F364 HydrophobicContact CB-CZ 3.86Å; L347-F364 HydrophobicContact CB-CB 4.17Å; L347-F364 HydrophobicContact CB-CD1 3.77Å; L347-F364 HydrophobicContact CB-CE1 4.38Å; L347-F364 HydrophobicContact CB-CG 4.09Å; L347-F364 HydrophobicContact CD1-CG 4.47Å; E348-F364 CarbonylContact O-C 3.33Å; E348-F364 WeakPolarHBondContact O-CA 3.45Å; N349-F364 HydrophobicContact CB-CD1 4.21Å; N349-F364 HydrophobicContact CB-CE1 4.12Å
365	H	97.3	Very high	92.5	Very high	72 Å²	72	53.1 Å²	53.1	33%	0.333	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.8	173.4	178.2	71.6	0	0	0	110.4	L347 E348 I350 R367	L347-H365 CarbonylContact C-O 3.49Å; L347-H365 WeakPolarHBondContact CA-O 3.46Å; E348-H365 PolarHBondContact N-O 3.35Å; E348-H365 PolarHBondContact O-N 3.36Å; I350-H365 HydrophobicContact CD1-CB 3.57Å; I350-H365 HydrophobicContact CG1-CB 3.89Å; I350-H365 HydrophobicContact CG2-CB 4.36Å; H365-R367 PolarHBondContact O-N 2.89Å
366	I	97.3	Very high	92.7	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	120.6	-179.6	-55.8	162.9	0	0	0	109.6	L294 F297 F345 L347 W368	L294-I366 HydrophobicContact CD1-CD1 4.28Å; L294-I366 HydrophobicContact CD1-CG1 4.27Å; L294-I366 HydrophobicContact CD2-CD1 4.19Å; L294-I366 HydrophobicContact CD2-CG1 3.95Å; F297-I366 HydrophobicContact CB-CD1 4.4Å; F297-I366 HydrophobicContact CD1-CD1 3.74Å; F297-I366 HydrophobicContact CE1-CD1 4.23Å; F297-I366 HydrophobicContact CG-CD1 4.13Å; F345-I366 HydrophobicContact CB-CG2 4.34Å; F345-I366 HydrophobicContact CD1-CG2 4.1Å; F345-I366 HydrophobicContact CG-CG2 4.49Å; L347-I366 HydrophobicContact CD2-CB 4.09Å; L347-I366 HydrophobicContact CD2-CG1 3.49Å; L347-I366 VanDerWaalsContact CD2-CG1 3.49Å; L347-I366 HydrophobicContact CD2-CG2 4.25Å; I366-W368 HydrophobicContact CB-CD2 4.34Å; I366-W368 HydrophobicContact CB-CH2 4.47Å; I366-W368 HydrophobicContact CB-CZ2 3.86Å; I366-W368 HydrophobicContact CD1-CH2 3.8Å; I366-W368 HydrophobicContact CD1-CZ2 3.46Å; I366-W368 VanDerWaalsContact CD1-CZ2 3.46Å; I366-W368 HydrophobicContact CG1-CZ2 4.25Å; I366-W368 HydrophobicContact CG2-CD2 3.69Å; I366-W368 HydrophobicContact CG2-CE3 3.9Å; I366-W368 HydrophobicContact CG2-CG 4.31Å; I366-W368 HydrophobicContact CG2-CH2 3.92Å; I366-W368 HydrophobicContact CG2-CZ2 3.72Å; I366-W368 HydrophobicContact CG2-CZ3 3.99Å; I366-W368 VanDerWaalsContact O-CD1 3.28Å; I366-W368 PolarHBondContact O-N 2.92Å
367	R	95.4	Very high	92.9	Very high	86 Å²	86	49.1 Å²	49.1	33%	0.325	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	96.1	170.6	-64.3	-58.7	-168.4	-176	6.1	109.8	L346 E348 H365 Q370	L346-R367 HydrophobicContact CB-CB 4.29Å; L346-R367 PolarHBondContact O-N 2.85Å; E348-R367 HydrophobicContact CB-CG 4.22Å; E348-R367 IonicContact OE1-CZ 3.02Å; E348-R367 IonicContact OE1-NE 3.78Å; E348-R367 IonicContact OE1-NH2 3.94Å; E348-R367 PolarHBondContact OE1-NH2 2.83Å; E348-R367 IonicContact OE2-CZ 3.72Å; E348-R367 IonicContact OE2-NE 2.91Å; E348-R367 PolarHBondContact OE2-NE 2.77Å; E348-R367 IonicContact OE2-NH2 3.01Å; E348-R367 PolarHBondContact OE2-NH2 2.8Å; H365-R367 PolarHBondContact O-N 2.89Å; R367-Q370 HydrophobicContact CB-CG 4.15Å
368	W	93.1	Very high	92.9	Very high	55 Å²	55	53.2 Å²	53.2	21%	0.208	30%	0.303	C	S	.	.			trans	-74.7	-31.5	-178.4	-60	105	0	0	0	114	H299 W304 F345 I366 Q370	H299-W368 HydrophobicContact CB-CD2 3.65Å; H299-W368 HydrophobicContact CB-CE3 3.67Å; H299-W368 HydrophobicContact CB-CG 4.34Å; H299-W368 HydrophobicContact CB-CH2 3.84Å; H299-W368 HydrophobicContact CB-CZ2 3.8Å; H299-W368 HydrophobicContact CB-CZ3 3.77Å; H299-W368 AromaticContact CE1-CG 3.62Å; H299-W368 AromaticContact CG-CD2 3.6Å; H299-W368 AromaticContact CG-CE3 3.82Å; H299-W368 AromaticContact CG-CG 3.8Å; H299-W368 AromaticContact ND1-CD1 3.36Å; H299-W368 AromaticContact ND1-CD2 3.4Å; H299-W368 AromaticContact ND1-CE2 3.78Å; H299-W368 AromaticContact ND1-CG 3.11Å; H299-W368 AromaticContact ND1-NE1 3.72Å; W304-W368 HydrophobicContact CB-CH2 4.05Å; W304-W368 HydrophobicContact CB-CZ3 4.25Å; W304-W368 AromaticContact CD1-CH2 3.81Å; W304-W368 AromaticContact CD1-CZ3 3.53Å; W304-W368 HydrophobicContact CD2-CZ3 4.35Å; W304-W368 HydrophobicContact CG-CH2 4.03Å; W304-W368 AromaticContact CG-CZ3 3.79Å; W304-W368 HydrophobicContact CG-CZ3 3.79Å; W304-W368 AromaticContact NE1-CZ3 3.97Å; F345-W368 HydrophobicContact CD1-CE3 4.08Å; F345-W368 HydrophobicContact CD1-CZ3 4.26Å; F345-W368 AromaticContact CE1-CE3 3.64Å; F345-W368 HydrophobicContact CE1-CE3 3.64Å; F345-W368 AromaticContact CE1-CZ3 3.82Å; F345-W368 HydrophobicContact CE1-CZ3 3.82Å; F345-W368 HydrophobicContact CZ-CE3 4.42Å; F345-W368 HydrophobicContact CZ-CZ3 4.24Å; I366-W368 HydrophobicContact CB-CD2 4.34Å; I366-W368 HydrophobicContact CB-CH2 4.47Å; I366-W368 HydrophobicContact CB-CZ2 3.86Å; I366-W368 HydrophobicContact CD1-CH2 3.8Å; I366-W368 HydrophobicContact CD1-CZ2 3.46Å; I366-W368 VanDerWaalsContact CD1-CZ2 3.46Å; I366-W368 HydrophobicContact CG1-CZ2 4.25Å; I366-W368 HydrophobicContact CG2-CD2 3.69Å; I366-W368 HydrophobicContact CG2-CE3 3.9Å; I366-W368 HydrophobicContact CG2-CG 4.31Å; I366-W368 HydrophobicContact CG2-CH2 3.92Å; I366-W368 HydrophobicContact CG2-CZ2 3.72Å; I366-W368 HydrophobicContact CG2-CZ3 3.99Å; I366-W368 VanDerWaalsContact O-CD1 3.28Å; I366-W368 PolarHBondContact O-N 2.92Å; W368-Q370 PolarHBondContact O-N 3.26Å
369	D	85.9	Confident	93.1	Very high	134 Å²	134	49.2 Å²	49.2	72%	0.717	28%	0.275	S	S	*	.			trans	-95.2	53.4	-170.4	-61.2	-46.4	0	0	0	112.2
370	Q	83.3	Confident	93.2	Very high	33 Å²	33	45.5 Å²	45.5	15%	0.154	25%	0.248	C	C	.	.			trans	-105.9	100.6	175.8	-68.6	-65.7	-27.9	0	0	109.9	R367 W368 L373 G374	R367-Q370 HydrophobicContact CB-CG 4.15Å; W368-Q370 PolarHBondContact O-N 3.26Å; Q370-L373 HydrophobicContact CB-CB 3.97Å; Q370-G374 WeakPolarHBondContact O-CA 3.5Å; Q370-G374 PolarHBondContact O-N 2.85Å
371	T	83.6	Confident	93.2	Very high	110 Å²	110	47.7 Å²	47.7	68%	0.675	26%	0.259	S	S	*	.	H	α-helix	trans	-61.9	-52.3	-170.6	40.8	0	0	0	0	113.2	A375	T371-A375 WeakPolarHBondContact O-CB 3.26Å; T371-A375 PolarHBondContact O-N 3.04Å
372	D	89.4	Confident	93.2	Very high	57 Å²	57	45.7 Å²	45.7	31%	0.305	24%	0.238	S	C	.	.	H	α-helix	trans	-77.4	-41.3	-172.4	-56.8	-83.7	0	0	0	111.4	L31 A375 L412	L31-D372 HydrophobicContact CB-CB 4Å; L31-D372 VanDerWaalsContact O-CG 3.27Å; D372-A375 WeakPolarHBondContact O-CB 3.29Å; D372-A375 PolarHBondContact O-N 2.84Å; D372-L412 HydrophobicContact CB-CD2 4.4Å
373	L	91.6	Very high	93.2	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-45.4	172.4	-169.5	66.9	0	0	0	111.3	L31 L331 A344 L346 Q370 A375 I376 M395 I397 L412	L31-L373 HydrophobicContact CD1-CB 3.76Å; L331-L373 HydrophobicContact CD1-CD1 4.48Å; L331-L373 HydrophobicContact CD1-CD2 3.96Å; A344-L373 HydrophobicContact CB-CD1 3.65Å; A344-L373 HydrophobicContact CB-CD2 4.34Å; A344-L373 HydrophobicContact CB-CG 3.94Å; L346-L373 HydrophobicContact CB-CD2 4.42Å; Q370-L373 HydrophobicContact CB-CB 3.97Å; L373-A375 PolarHBondContact O-N 2.7Å; L373-I376 PolarHBondContact O-N 3.31Å; L373-M395 HydrophobicContact CD1-SD 3.99Å; L373-M395 HydrophobicContact CD2-SD 4.27Å; L373-I397 HydrophobicContact CD1-CD1 3.73Å; L373-I397 HydrophobicContact CD1-CG1 3.82Å; L373-L412 HydrophobicContact CB-CD1 4.12Å; L373-L412 HydrophobicContact CD1-CD1 3.84Å
374	G	88.6	Confident	93.1	Very high	18 Å²	18	45.8 Å²	45.8	19%	0.186	24%	0.24	C	C	.	.	H	α-helix	trans	-69.2	-17.2	178.5	0	0	0	0	0	113.8	R343 Q370 I376	R343-G374 WeakPolarHBondContact CD-O 3.42Å; R343-G374 PolarHBondContact NH1-O 2.73Å; Q370-G374 WeakPolarHBondContact O-CA 3.5Å; Q370-G374 PolarHBondContact O-N 2.85Å; G374-I376 VanDerWaalsContact C-N 3.29Å
375	A	92.1	Very high	93	Very high	68 Å²	68	46.5 Å²	46.5	56%	0.562	24%	0.243	S	C	*	.	H	α-helix	trans	-73.1	-22.9	175.7	0	0	0	0	0	112.6	T371 D372 L373 Q377	T371-A375 WeakPolarHBondContact O-CB 3.26Å; T371-A375 PolarHBondContact O-N 3.04Å; D372-A375 WeakPolarHBondContact O-CB 3.29Å; D372-A375 PolarHBondContact O-N 2.84Å; L373-A375 PolarHBondContact O-N 2.7Å; A375-Q377 PolarHBondContact O-N 2.79Å; A375-Q377 VanDerWaalsContact O-N 3.16Å
376	I	95.4	Very high	92.8	Very high	14 Å²	14	44.4 Å²	44.4	7%	0.072	24%	0.235	C	C	.	.			trans	-81.1	98.3	-177.8	-54.8	169.3	0	0	0	109.9	L373 G374 A379 I397 H410 L412	L373-I376 PolarHBondContact O-N 3.31Å; G374-I376 VanDerWaalsContact C-N 3.29Å; I376-A379 HydrophobicContact CG2-CB 4.39Å; I376-I397 HydrophobicContact CB-CG2 4.49Å; I376-I397 HydrophobicContact CD1-CB 3.98Å; I376-I397 HydrophobicContact CD1-CD1 3.99Å; I376-I397 HydrophobicContact CD1-CG1 4.15Å; I376-I397 HydrophobicContact CD1-CG2 4.23Å; I376-I397 HydrophobicContact CG2-CG2 3.83Å; I376-H410 HydrophobicContact CD1-CB 3.68Å; I376-L412 HydrophobicContact CD1-CD1 3.93Å; I376-L412 HydrophobicContact CD1-CD2 4.38Å; I376-L412 HydrophobicContact CD1-CG 4.25Å
377	Q	94.3	Very high	92.5	Very high	112 Å²	112	44.9 Å²	44.9	52%	0.523	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	158.8	176.3	-62.5	-179	6.1	0	0	112.1	A375 A379	A375-Q377 PolarHBondContact O-N 2.79Å; A375-Q377 VanDerWaalsContact O-N 3.16Å; Q377-A379 PolarHBondContact O-N 3.02Å
378	K	94.6	Very high	92.3	Very high	86 Å²	86	44.4 Å²	44.4	37%	0.374	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	31.9	178.6	-50.3	173.5	-172.5	165.7	0	112.2	Q342 S399 K400 E402	Q342-K378 WeakPolarHBondContact O-CA 3.35Å; Q342-K378 PolarHBondContact O-N 2.93Å; K378-S399 WeakPolarHBondContact O-CA 3.27Å; K378-K400 HydrophobicContact CB-CB 4.06Å; K378-K400 HydrophobicContact CD-CB 4.45Å; K378-K400 PolarHBondContact O-N 2.86Å; K378-E402 IonicContact NZ-OE1 3.07Å; K378-E402 PolarHBondContact NZ-OE1 3.09Å
379	A	95.8	Very high	92.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	129.7	177.9	0	0	0	0	0	110	I333 Q342 I376 Q377 I397 L398	I333-A379 HydrophobicContact CD1-CB 3.96Å; I333-A379 VanDerWaalsContact CG2-O 3.28Å; I333-A379 WeakPolarHBondContact CG2-O 3.42Å; Q342-A379 VanDerWaalsContact CD-O 3.28Å; Q342-A379 VanDerWaalsContact CG-O 3.23Å; Q342-A379 WeakPolarHBondContact CG-O 3.17Å; Q342-A379 PolarHBondContact NE2-O 2.84Å; Q342-A379 PolarHBondContact O-N 2.04Å; Q342-A379 VanDerWaalsContact O-N 3.16Å; I376-A379 HydrophobicContact CG2-CB 4.39Å; Q377-A379 PolarHBondContact O-N 3.02Å; A379-I397 HydrophobicContact CB-CG2 3.75Å; A379-L398 CarbonylContact C-O 3.55Å; A379-L398 WeakPolarHBondContact CA-O 3.5Å
380	V	94.9	Very high	92.4	Very high	13 Å²	13	43.9 Å²	43.9	8%	0.079	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-20.1	-177.4	-63.6	0	0	0	0	113.6	L398 K400 L407	V380-L398 HydrophobicContact CG2-CB 4.21Å; V380-L398 PolarHBondContact N-O 2.97Å; V380-K400 HydrophobicContact CG1-CD 4.29Å; V380-K400 HydrophobicContact CG1-CG 3.9Å; V380-L407 HydrophobicContact CG2-CD1 3.53Å; V380-L407 HydrophobicContact CG2-CD2 3.77Å; V380-L407 HydrophobicContact CG2-CG 4.28Å
381	M	94.8	Very high	92.7	Very high	53 Å²	53	44.5 Å²	44.5	26%	0.261	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	145.9	177.4	179.8	178.5	-78.3	0	0	108.5	I397 L398	M381-I397 WeakPolarHBondContact O-CA 3.23Å; M381-L398 HydrophobicContact CB-CB 4.22Å; M381-L398 HydrophobicContact CB-CD1 4.19Å; M381-L398 HydrophobicContact CB-CG 4.32Å; M381-L398 HydrophobicContact CG-CD1 4.48Å; M381-L398 PolarHBondContact N-O 2.8Å; M381-L398 PolarHBondContact O-N 2.66Å; M381-L398 HydrophobicContact SD-CD1 3.93Å
382	A	96.1	Very high	93.1	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	133	173.4	0	0	0	0	0	108.3	H318 L331 I333 A344 L396 I397	H318-A382 PolarHBondContact CD2-O 2.55Å; L331-A382 HydrophobicContact CD1-CB 4.5Å; L331-A382 HydrophobicContact CD2-CB 3.64Å; L331-A382 HydrophobicContact CG-CB 3.71Å; I333-A382 HydrophobicContact CD1-CB 3.73Å; A344-A382 HydrophobicContact CB-CB 3.76Å; A382-L396 CarbonylContact C-O 3.49Å; A382-L396 VanDerWaalsContact CA-O 3.28Å; A382-L396 WeakPolarHBondContact CA-O 3.01Å; A382-I397 HydrophobicContact CB-CG1 3.96Å; A382-I397 HydrophobicContact CB-CG2 4.49Å
383	T	96.9	Very high	93.3	Very high	26 Å²	26	39.9 Å²	39.9	16%	0.16	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	152.4	179.4	-171	0	0	0	0	110.5	F50 H318 M395 L396	F50-T383 HydrophobicContact CE2-CG2 4.09Å; F50-T383 HydrophobicContact CZ-CG2 3.92Å; H318-T383 WeakPolarHBondContact ND1-CB 3.32Å; H318-T383 PolarHBondContact ND1-OG1 3.25Å; H318-T383 VanDerWaalsContact ND1-OG1 3.16Å; T383-M395 WeakPolarHBondContact O-CA 3.21Å; T383-L396 HydrophobicContact CG2-CB 4.14Å; T383-L396 PolarHBondContact N-O 2.96Å; T383-L396 PolarHBondContact O-N 3.08Å
384	F	97.1	Very high	93.5	Very high	17 Å²	17	39.9 Å²	39.9	8%	0.075	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	146.7	165.3	-65.6	-65.5	0	0	0	110.7	H318 L331 L346 L393 D394 M395	H318-F384 VanDerWaalsContact O-CE2 3.29Å; H318-F384 WeakPolarHBondContact O-CE2 3.48Å; L331-F384 HydrophobicContact CB-CD2 4.36Å; L331-F384 HydrophobicContact CB-CE1 4.43Å; L331-F384 HydrophobicContact CB-CE2 3.86Å; L331-F384 HydrophobicContact CB-CZ 3.91Å; L346-F384 HydrophobicContact CD1-CE1 4.16Å; L346-F384 HydrophobicContact CD1-CZ 3.71Å; F384-L393 HydrophobicContact CB-CB 4.21Å; F384-L393 HydrophobicContact CB-CD1 4.1Å; F384-L393 HydrophobicContact CB-CD2 4.44Å; F384-L393 HydrophobicContact CD1-CB 3.96Å; F384-L393 HydrophobicContact CD1-CD1 4.43Å; F384-L393 HydrophobicContact CD2-CD1 4.47Å; F384-L393 HydrophobicContact CG-CB 4.29Å; F384-L393 HydrophobicContact CG-CD1 4.11Å; F384-D394 CarbonylContact C-O 3.45Å; F384-D394 VanDerWaalsContact CA-O 3.26Å; F384-D394 WeakPolarHBondContact CA-O 3.35Å; F384-M395 HydrophobicContact CD1-CG 4.15Å; F384-M395 HydrophobicContact CE1-CE 3.93Å; F384-M395 HydrophobicContact CE1-CG 4.24Å
385	F	95.3	Very high	93.9	Very high	15 Å²	15	39.1 Å²	39.1	7%	0.066	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	128.4	175.2	179.4	-117.2	0	0	0	108.2	F50 T59 I61 F82 I387 D394 L396	F50-F385 AromaticContact CD1-CD2 3.63Å; F50-F385 HydrophobicContact CD1-CD2 3.63Å; F50-F385 AromaticContact CD1-CE2 3.53Å; F50-F385 HydrophobicContact CD1-CE2 3.53Å; F50-F385 HydrophobicContact CD1-CG 4.45Å; F50-F385 HydrophobicContact CD1-CZ 4.29Å; F50-F385 HydrophobicContact CD2-CD2 4.47Å; F50-F385 AromaticContact CE1-CD2 3.59Å; F50-F385 HydrophobicContact CE1-CD2 3.59Å; F50-F385 AromaticContact CE1-CE2 3.88Å; F50-F385 HydrophobicContact CE1-CE2 3.88Å; F50-F385 AromaticContact CE1-CG 3.99Å; F50-F385 HydrophobicContact CE1-CG 3.99Å; F50-F385 HydrophobicContact CE1-CZ 4.49Å; F50-F385 HydrophobicContact CE2-CD2 4.44Å; F50-F385 HydrophobicContact CG-CD2 4.09Å; F50-F385 HydrophobicContact CG-CE2 4.11Å; F50-F385 HydrophobicContact CZ-CB 4.36Å; F50-F385 HydrophobicContact CZ-CD2 4.02Å; F50-F385 HydrophobicContact CZ-CG 4.29Å; T59-F385 HydrophobicContact CG2-CE2 3.72Å; T59-F385 HydrophobicContact CG2-CZ 4.28Å; I61-F385 HydrophobicContact CD1-CE1 4.1Å; I61-F385 HydrophobicContact CD1-CZ 4.32Å; I61-F385 HydrophobicContact CG1-CZ 4.26Å; F82-F385 HydrophobicContact CE2-CE1 4.2Å; F82-F385 AromaticContact CZ-CE1 3.82Å; F82-F385 HydrophobicContact CZ-CE1 3.82Å; F82-F385 AromaticContact CZ-CZ 3.99Å; F82-F385 HydrophobicContact CZ-CZ 3.99Å; F385-I387 HydrophobicContact CD1-CB 4.37Å; F385-I387 HydrophobicContact CD1-CG1 3.56Å; F385-I387 HydrophobicContact CE1-CB 4.44Å; F385-I387 HydrophobicContact CE1-CG1 4.02Å; F385-I387 PolarHBondContact O-N 3.08Å; F385-D394 PolarHBondContact N-O 2.82Å; F385-D394 CarbonylContact O-C 3.59Å; F385-D394 VanDerWaalsContact O-C 3.32Å; F385-D394 VanDerWaalsContact O-CA 3.29Å; F385-D394 WeakPolarHBondContact O-CA 3.49Å; F385-D394 WeakPolarHBondContact O-CB 3.25Å; F385-D394 PolarHBondContact O-N 2.92Å; F385-L396 HydrophobicContact CB-CD1 3.88Å; F385-L396 HydrophobicContact CB-CG 4.04Å; F385-L396 HydrophobicContact CD1-CD1 3.71Å; F385-L396 HydrophobicContact CD1-CG 4.15Å; F385-L396 HydrophobicContact CE1-CD1 4.48Å; F385-L396 HydrophobicContact CG-CD1 3.86Å; F385-L396 HydrophobicContact CG-CG 4.4Å
386	D	93.8	Very high	94.1	Very high	28 Å²	28	36 Å²	36	15%	0.15	19%	0.186	C	C	.	.			trans	-80.4	97.7	173.6	-178.9	-6.7	0	0	0	108.3	Y388 E389 D390 G391	D386-Y388 VanDerWaalsContact C-N 3.28Å; D386-Y388 PolarHBondContact O-N 3.48Å; D386-Y388 PolarHBondContact OD1-N 2.74Å; D386-E389 VanDerWaalsContact OD1-CA 3.29Å; D386-E389 WeakPolarHBondContact OD1-CA 2.92Å; D386-E389 PolarHBondContact OD1-N 2.74Å; D386-E389 WeakPolarHBondContact OD2-CA 3.48Å; D386-D390 PolarHBondContact OD1-N 3.46Å; D386-D390 VanDerWaalsContact OD1-N 3.11Å; D386-D390 PolarHBondContact OD2-N 3.09Å; D386-G391 WeakPolarHBondContact OD2-CA 3.24Å; D386-G391 PolarHBondContact OD2-N 3.23Å
387	I	91.7	Very high	94.3	Very high	16 Å²	16	35.4 Å²	35.4	8%	0.082	18%	0.182	C	C	.	.	S	Bend	trans	-69.7	-31.5	-172.3	-67.9	162.8	0	0	0	110.9	V34 L38 F385 D394 A411	V34-I387 HydrophobicContact CG2-CD1 4.21Å; L38-I387 HydrophobicContact CD1-CD1 3.91Å; L38-I387 HydrophobicContact CD1-CG1 4.19Å; L38-I387 HydrophobicContact CD1-CG2 3.52Å; L38-I387 HydrophobicContact CD2-CG2 3.58Å; L38-I387 HydrophobicContact CG-CG2 4.17Å; F385-I387 HydrophobicContact CD1-CB 4.37Å; F385-I387 HydrophobicContact CD1-CG1 3.56Å; F385-I387 HydrophobicContact CE1-CB 4.44Å; F385-I387 HydrophobicContact CE1-CG1 4.02Å; F385-I387 PolarHBondContact O-N 3.08Å; I387-D394 HydrophobicContact CB-CB 4.37Å; I387-D394 VanDerWaalsContact CB-OD2 3.23Å; I387-D394 WeakPolarHBondContact CB-OD2 3.36Å; I387-D394 HydrophobicContact CD1-CB 3.41Å; I387-D394 VanDerWaalsContact CD1-CB 3.41Å; I387-D394 HydrophobicContact CG1-CB 3.8Å; I387-D394 PolarHBondContact N-OD2 2.83Å; I387-A411 HydrophobicContact CD1-CB 4.12Å
388	Y	90.7	Very high	94.4	Very high	75 Å²	75	30.2 Å²	30.2	29%	0.294	16%	0.159	S	C	.	.	S	Bend	trans	-109.3	1.6	-169.6	-61.6	-74.6	0	0	0	113.6	D386 D390 K413	D386-Y388 VanDerWaalsContact C-N 3.28Å; D386-Y388 PolarHBondContact O-N 3.48Å; D386-Y388 PolarHBondContact OD1-N 2.74Å; Y388-D390 PolarHBondContact O-N 2.95Å; Y388-K413 HydrophobicContact CD2-CD 4.21Å; Y388-K413 HydrophobicContact CD2-CG 4.3Å; Y388-K413 HydrophobicContact CE2-CB 4.11Å; Y388-K413 HydrophobicContact CE2-CD 3.5Å; Y388-K413 HydrophobicContact CE2-CG 3.67Å
389	E	90.1	Very high	94.5	Very high	96 Å²	96	26.4 Å²	26.4	45%	0.449	14%	0.143	S	C	.	.	S	Bend	trans	55.4	37.2	-177.5	-56.4	-78.5	178.6	0	0	111.1	T59 D386	T59-E389 WeakPolarHBondContact CB-OE1 3.42Å; T59-E389 PolarHBondContact N-OE1 3.24Å; T59-E389 PolarHBondContact OG1-OE1 2.83Å; D386-E389 VanDerWaalsContact OD1-CA 3.29Å; D386-E389 WeakPolarHBondContact OD1-CA 2.92Å; D386-E389 PolarHBondContact OD1-N 2.74Å; D386-E389 WeakPolarHBondContact OD2-CA 3.48Å
390	D	90.3	Very high	94.4	Very high	82 Å²	82	32.3 Å²	32.3	44%	0.439	17%	0.168	S	C	.	.	S	Bend	trans	-103.9	-0.5	-176.8	70	14.6	0	0	0	113.6	D386 Y388 I392	D386-D390 PolarHBondContact OD1-N 3.46Å; D386-D390 VanDerWaalsContact OD1-N 3.11Å; D386-D390 PolarHBondContact OD2-N 3.09Å; Y388-D390 PolarHBondContact O-N 2.95Å; D390-I392 VanDerWaalsContact C-N 3.33Å; D390-I392 VanDerWaalsContact OD1-CB 3.29Å; D390-I392 WeakPolarHBondContact OD1-CB 3.31Å; D390-I392 PolarHBondContact OD1-N 2.97Å
391	G	89.5	Confident	93.9	Very high	46 Å²	46	32.9 Å²	32.9	47%	0.474	17%	0.174	S	C	.	.	S	Bend	trans	85.7	0.5	-179.9	0	0	0	0	0	114	D386	D386-G391 WeakPolarHBondContact OD2-CA 3.24Å; D386-G391 PolarHBondContact OD2-N 3.23Å
392	I	91.6	Very high	93	Very high	28 Å²	28	37.3 Å²	37.3	14%	0.144	19%	0.194	C	C	.	.			trans	-98.2	125.6	174.8	-61	159.7	0	0	0	108.3	L324 D390 D394 N414 F416	L324-I392 HydrophobicContact CD1-CG1 4.37Å; D390-I392 VanDerWaalsContact C-N 3.33Å; D390-I392 VanDerWaalsContact OD1-CB 3.29Å; D390-I392 WeakPolarHBondContact OD1-CB 3.31Å; D390-I392 PolarHBondContact OD1-N 2.97Å; I392-D394 PolarHBondContact O-N 3.35Å; I392-N414 HydrophobicContact CG2-CB 4.01Å; I392-F416 WeakPolarHBondContact CD1-O 3.5Å; I392-F416 HydrophobicContact CG2-CB 3.99Å
393	L	94.5	Very high	91.9	Very high	43 Å²	43	45.1 Å²	45.1	23%	0.225	24%	0.236	C	C	.	.			trans	-73.5	118.2	178.4	-62.3	-179.1	0	0	0	110.7	G320 F384 N414	G320-L393 VanDerWaalsContact CA-CD1 3.47Å; F384-L393 HydrophobicContact CB-CB 4.21Å; F384-L393 HydrophobicContact CB-CD1 4.1Å; F384-L393 HydrophobicContact CB-CD2 4.44Å; F384-L393 HydrophobicContact CD1-CB 3.96Å; F384-L393 HydrophobicContact CD1-CD1 4.43Å; F384-L393 HydrophobicContact CD2-CD1 4.47Å; F384-L393 HydrophobicContact CG-CB 4.29Å; F384-L393 HydrophobicContact CG-CD1 4.11Å; L393-N414 VanDerWaalsContact O-CB 3.25Å; L393-N414 WeakPolarHBondContact O-CB 3.45Å; L393-N414 PolarHBondContact O-ND2 2.65Å
394	D	95.4	Very high	90.8	Very high	1 Å²	1	50 Å²	50	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-175.5	166	-50.7	-67.8	0	0	0	110.5	F384 F385 I387 I392 L412 K413 N414	F384-D394 CarbonylContact C-O 3.45Å; F384-D394 VanDerWaalsContact CA-O 3.26Å; F384-D394 WeakPolarHBondContact CA-O 3.35Å; F385-D394 PolarHBondContact N-O 2.82Å; F385-D394 CarbonylContact O-C 3.59Å; F385-D394 VanDerWaalsContact O-C 3.32Å; F385-D394 VanDerWaalsContact O-CA 3.29Å; F385-D394 WeakPolarHBondContact O-CA 3.49Å; F385-D394 WeakPolarHBondContact O-CB 3.25Å; F385-D394 PolarHBondContact O-N 2.92Å; I387-D394 HydrophobicContact CB-CB 4.37Å; I387-D394 VanDerWaalsContact CB-OD2 3.23Å; I387-D394 WeakPolarHBondContact CB-OD2 3.36Å; I387-D394 HydrophobicContact CD1-CB 3.41Å; I387-D394 VanDerWaalsContact CD1-CB 3.41Å; I387-D394 HydrophobicContact CG1-CB 3.8Å; I387-D394 PolarHBondContact N-OD2 2.83Å; I392-D394 PolarHBondContact O-N 3.35Å; D394-L412 WeakPolarHBondContact CB-O 3.35Å; D394-K413 VanDerWaalsContact OD1-CA 3.22Å; D394-K413 WeakPolarHBondContact OD1-CA 3.43Å; D394-K413 WeakPolarHBondContact OD1-CG 3.42Å; D394-N414 PolarHBondContact OD1-N 3.45Å
395	M	96.6	Very high	90	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.2	-175.2	-54.5	175.6	-172.4	0	0	112.4	L31 L331 L346 L373 T383 F384 I397 A411 L412	L31-M395 HydrophobicContact CD1-CE 4.29Å; L31-M395 HydrophobicContact CD1-SD 3.96Å; L31-M395 HydrophobicContact CD2-CE 4.04Å; L31-M395 HydrophobicContact CD2-SD 4.17Å; L331-M395 HydrophobicContact CD1-SD 4.06Å; L331-M395 HydrophobicContact CD2-CB 4.16Å; L331-M395 HydrophobicContact CD2-CG 4.02Å; L331-M395 HydrophobicContact CD2-SD 4.22Å; L346-M395 HydrophobicContact CD1-CE 4.06Å; L346-M395 HydrophobicContact CD2-CE 4.14Å; L373-M395 HydrophobicContact CD1-SD 3.99Å; L373-M395 HydrophobicContact CD2-SD 4.27Å; T383-M395 WeakPolarHBondContact O-CA 3.21Å; F384-M395 HydrophobicContact CD1-CG 4.15Å; F384-M395 HydrophobicContact CE1-CE 3.93Å; F384-M395 HydrophobicContact CE1-CG 4.24Å; M395-I397 HydrophobicContact CB-CD1 3.8Å; M395-A411 WeakPolarHBondContact O-CA 3.15Å; M395-L412 HydrophobicContact CB-CB 4.38Å; M395-L412 PolarHBondContact N-O 3.33Å; M395-L412 PolarHBondContact O-N 2.91Å
396	L	97.7	Very high	89.8	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.4	165.6	-69.7	176.7	0	0	0	109.8	F39 F50 I61 A382 T383 F385 I409 H410 A411	F39-L396 HydrophobicContact CE2-CD2 4.21Å; F39-L396 HydrophobicContact CZ-CD2 4.31Å; F50-L396 HydrophobicContact CE1-CD1 3.66Å; F50-L396 HydrophobicContact CZ-CD1 3.8Å; I61-L396 HydrophobicContact CD1-CD1 4.43Å; A382-L396 CarbonylContact C-O 3.49Å; A382-L396 VanDerWaalsContact CA-O 3.28Å; A382-L396 WeakPolarHBondContact CA-O 3.01Å; T383-L396 HydrophobicContact CG2-CB 4.14Å; T383-L396 PolarHBondContact N-O 2.96Å; T383-L396 PolarHBondContact O-N 3.08Å; F385-L396 HydrophobicContact CB-CD1 3.88Å; F385-L396 HydrophobicContact CB-CG 4.04Å; F385-L396 HydrophobicContact CD1-CD1 3.71Å; F385-L396 HydrophobicContact CD1-CG 4.15Å; F385-L396 HydrophobicContact CE1-CD1 4.48Å; F385-L396 HydrophobicContact CG-CD1 3.86Å; F385-L396 HydrophobicContact CG-CG 4.4Å; L396-I409 HydrophobicContact CD2-CG2 4.4Å; L396-H410 CarbonylContact C-O 3.48Å; L396-H410 WeakPolarHBondContact CA-O 3.29Å; L396-A411 HydrophobicContact CD2-CB 3.63Å
397	I	97.8	Very high	89.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.3	-179.4	-57.4	89.1	0	0	0	109.2	A344 L373 I376 A379 M381 A382 M395 H410 L412	A344-I397 HydrophobicContact CB-CG1 4.28Å; A344-I397 HydrophobicContact CB-CG2 4.4Å; L373-I397 HydrophobicContact CD1-CD1 3.73Å; L373-I397 HydrophobicContact CD1-CG1 3.82Å; I376-I397 HydrophobicContact CB-CG2 4.49Å; I376-I397 HydrophobicContact CD1-CB 3.98Å; I376-I397 HydrophobicContact CD1-CD1 3.99Å; I376-I397 HydrophobicContact CD1-CG1 4.15Å; I376-I397 HydrophobicContact CD1-CG2 4.23Å; I376-I397 HydrophobicContact CG2-CG2 3.83Å; A379-I397 HydrophobicContact CB-CG2 3.75Å; M381-I397 WeakPolarHBondContact O-CA 3.23Å; A382-I397 HydrophobicContact CB-CG1 3.96Å; A382-I397 HydrophobicContact CB-CG2 4.49Å; M395-I397 HydrophobicContact CB-CD1 3.8Å; I397-H410 HydrophobicContact CB-CB 4.3Å; I397-H410 PolarHBondContact N-O 2.9Å; I397-H410 PolarHBondContact O-CD2 2.82Å; I397-H410 PolarHBondContact O-N 3.03Å; I397-L412 HydrophobicContact CD1-CB 4.47Å; I397-L412 HydrophobicContact CD1-CD1 3.72Å; I397-L412 HydrophobicContact CD1-CG 3.86Å
398	L	97	Very high	90.1	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.8	173.6	-52.3	-176.3	0	0	0	109.3	T46 V47 A379 V380 M381 L407 M408 I409	T46-L398 HydrophobicContact CG2-CD1 4.01Å; V47-L398 HydrophobicContact CB-CD1 4.4Å; V47-L398 HydrophobicContact CB-CD2 4.29Å; V47-L398 HydrophobicContact CG2-CD2 3.96Å; A379-L398 CarbonylContact C-O 3.55Å; A379-L398 WeakPolarHBondContact CA-O 3.5Å; V380-L398 HydrophobicContact CG2-CB 4.21Å; V380-L398 PolarHBondContact N-O 2.97Å; M381-L398 HydrophobicContact CB-CB 4.22Å; M381-L398 HydrophobicContact CB-CD1 4.19Å; M381-L398 HydrophobicContact CB-CG 4.32Å; M381-L398 HydrophobicContact CG-CD1 4.48Å; M381-L398 PolarHBondContact N-O 2.8Å; M381-L398 PolarHBondContact O-N 2.66Å; M381-L398 HydrophobicContact SD-CD1 3.93Å; L398-L407 HydrophobicContact CB-CB 4.27Å; L398-L407 HydrophobicContact CB-CD1 3.95Å; L398-L407 HydrophobicContact CD1-CD1 4.09Å; L398-M408 WeakPolarHBondContact CA-O 3.48Å; L398-I409 HydrophobicContact CD2-CB 4.18Å; L398-I409 HydrophobicContact CD2-CG1 3.77Å; L398-I409 HydrophobicContact CD2-CG2 4.19Å
399	S	96.3	Very high	90.4	Very high	6 Å²	6	54.3 Å²	54.3	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	154.3	180	66.6	0	0	0	0	112.1	K378 A401 L407 M408 H410	K378-S399 WeakPolarHBondContact O-CA 3.27Å; S399-A401 PolarHBondContact O-N 2.88Å; S399-L407 CarbonylContact O-C 3.51Å; S399-L407 WeakPolarHBondContact O-CA 3.44Å; S399-M408 PolarHBondContact N-O 3.08Å; S399-M408 PolarHBondContact O-N 2.87Å; S399-M408 PolarHBondContact OG-O 2.86Å; S399-H410 PolarHBondContact OG-CD2 2.79Å; S399-H410 PolarHBondContact OG-NE2 3.04Å
400	K	94	Very high	90.8	Very high	124 Å²	124	50.8 Å²	50.8	54%	0.539	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	116.6	172.3	-64.2	-178.1	180	177.8	0	109.7	K378 V380 L407	K378-K400 HydrophobicContact CB-CB 4.06Å; K378-K400 HydrophobicContact CD-CB 4.45Å; K378-K400 PolarHBondContact O-N 2.86Å; V380-K400 HydrophobicContact CG1-CD 4.29Å; V380-K400 HydrophobicContact CG1-CG 3.9Å; K400-L407 HydrophobicContact CG-CD2 4.08Å
401	A	84.4	Confident	91.1	Very high	24 Å²	24	46.9 Å²	46.9	20%	0.198	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-77.7	148.6	172.4	0	0	0	0	0	111.2	Y44 S399 K404 M408	Y44-A401 HydrophobicContact CE1-CB 4.2Å; S399-A401 PolarHBondContact O-N 2.88Å; A401-K404 HydrophobicContact CB-CB 3.95Å; A401-K404 HydrophobicContact CB-CG 4.3Å; A401-M408 HydrophobicContact CB-CB 4.15Å
402	E	76.4	Confident	91.5	Very high	146 Å²	146	44.9 Å²	44.9	68%	0.682	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	134.3	169.7	-64.3	-173.3	165.7	0	0	109.1	K378 K404	K378-E402 IonicContact NZ-OE1 3.07Å; K378-E402 PolarHBondContact NZ-OE1 3.09Å; E402-K404 VanDerWaalsContact C-N 3.27Å; E402-K404 PolarHBondContact O-N 3.23Å
403	D	72.5	Confident	91.6	Very high	166 Å²	166	46.2 Å²	46.2	89%	0.888	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	22.6	176.8	-50.8	-41.8	0	0	0	116.4
404	K	74.3	Confident	91.5	Very high	127 Å²	127	44.4 Å²	44.4	55%	0.552	22%	0.22	S	C	*	.			trans	-130.5	139.8	173.1	-64.3	-68.2	-175.6	177.8	0	110.7	Y44 A401 E402 D406	Y44-K404 HydrophobicContact CE1-CG 4.44Å; A401-K404 HydrophobicContact CB-CB 3.95Å; A401-K404 HydrophobicContact CB-CG 4.3Å; E402-K404 VanDerWaalsContact C-N 3.27Å; E402-K404 PolarHBondContact O-N 3.23Å; K404-D406 VanDerWaalsContact C-N 3.3Å
405	D	79.6	Confident	91.1	Very high	158 Å²	158	47.1 Å²	47.1	85%	0.845	24%	0.235	S	C	*	.	S	Bend	trans	-74.2	-24.4	173	-67.9	-30.9	0	0	0	112.1
406	D	91	Very high	90.4	Very high	27 Å²	27	48.4 Å²	48.4	14%	0.144	24%	0.24	C	C	.	.	S	Bend	trans	-88.3	151.5	177	-79.8	-18.8	0	0	0	112.4	E66 K404	E66-D406 WeakPolarHBondContact CA-OD1 3.47Å; E66-D406 PolarHBondContact N-OD1 2.75Å; E66-D406 PolarHBondContact N-OD2 3.35Å; E66-D406 VanDerWaalsContact N-OD2 3.16Å; K404-D406 VanDerWaalsContact C-N 3.3Å
407	L	95.3	Very high	89	Confident	19 Å²	19	56.5 Å²	56.5	10%	0.099	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	148.1	173	-58.1	175.1	0	0	0	110.7	Y44 G45 V380 L398 S399 K400	Y44-L407 CarbonylContact C-O 3.54Å; Y44-L407 VanDerWaalsContact CA-O 3.28Å; Y44-L407 WeakPolarHBondContact CA-O 3.13Å; G45-L407 PolarHBondContact N-O 3Å; V380-L407 HydrophobicContact CG2-CD1 3.53Å; V380-L407 HydrophobicContact CG2-CD2 3.77Å; V380-L407 HydrophobicContact CG2-CG 4.28Å; L398-L407 HydrophobicContact CB-CB 4.27Å; L398-L407 HydrophobicContact CB-CD1 3.95Å; L398-L407 HydrophobicContact CD1-CD1 4.09Å; S399-L407 CarbonylContact O-C 3.51Å; S399-L407 WeakPolarHBondContact O-CA 3.44Å; K400-L407 HydrophobicContact CG-CD2 4.08Å
408	M	96.7	Very high	87.2	Confident	39 Å²	39	59.1 Å²	59.1	19%	0.192	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.8	168.4	177.5	171.6	173.1	0	0	109.5	K43 Y44 L398 S399 A401 H410	K43-M408 HydrophobicContact CD-CE 4.08Å; Y44-M408 HydrophobicContact CD1-CB 4.2Å; Y44-M408 HydrophobicContact CE1-CB 4.07Å; Y44-M408 HydrophobicContact CE1-CG 4.29Å; L398-M408 WeakPolarHBondContact CA-O 3.48Å; S399-M408 PolarHBondContact N-O 3.08Å; S399-M408 PolarHBondContact O-N 2.87Å; S399-M408 PolarHBondContact OG-O 2.86Å; A401-M408 HydrophobicContact CB-CB 4.15Å; M408-H410 VanDerWaalsContact CE-CE1 3.47Å; M408-H410 WeakPolarHBondContact CE-CE1 3.31Å; M408-H410 PolarHBondContact O-CD2 3.27Å
409	I	97.6	Very high	85.1	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129.3	174.8	-51.2	170.3	0	0	0	108	T35 F39 K43 V47 V63 L396 L398	T35-I409 WeakPolarHBondContact CG2-O 3.45Å; F39-I409 HydrophobicContact CD2-CG2 4.24Å; F39-I409 HydrophobicContact CE2-CG2 3.66Å; F39-I409 HydrophobicContact CZ-CG2 3.83Å; K43-I409 PolarHBondContact O-N 3.46Å; V47-I409 HydrophobicContact CG2-CD1 3.9Å; V47-I409 HydrophobicContact CG2-CG1 4.18Å; V47-I409 HydrophobicContact CG2-CG2 4.19Å; V63-I409 HydrophobicContact CG1-CD1 4.25Å; V63-I409 HydrophobicContact CG2-CD1 4.42Å; L396-I409 HydrophobicContact CD2-CG2 4.4Å; L398-I409 HydrophobicContact CD2-CB 4.18Å; L398-I409 HydrophobicContact CD2-CG1 3.77Å; L398-I409 HydrophobicContact CD2-CG2 4.19Å
410	H	97.6	Very high	83.1	Confident	22 Å²	22	68.3 Å²	68.3	10%	0.102	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.7	170.3	-56.3	-95.9	0	0	0	108.8	T35 I376 L396 I397 S399 M408	T35-H410 WeakPolarHBondContact OG1-CA 3.35Å; I376-H410 HydrophobicContact CD1-CB 3.68Å; L396-H410 CarbonylContact C-O 3.48Å; L396-H410 WeakPolarHBondContact CA-O 3.29Å; I397-H410 HydrophobicContact CB-CB 4.3Å; I397-H410 PolarHBondContact N-O 2.9Å; I397-H410 PolarHBondContact O-CD2 2.82Å; I397-H410 PolarHBondContact O-N 3.03Å; S399-H410 PolarHBondContact OG-CD2 2.79Å; S399-H410 PolarHBondContact OG-NE2 3.04Å; M408-H410 VanDerWaalsContact CE-CE1 3.47Å; M408-H410 WeakPolarHBondContact CE-CE1 3.31Å; M408-H410 PolarHBondContact O-CD2 3.27Å
411	A	97.6	Very high	80.9	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.7	175.7	0	0	0	0	0	109.8	V34 T35 L38 F39 I387 M395 L396	V34-A411 HydrophobicContact CG2-CB 4.02Å; V34-A411 PolarHBondContact N-O 2.88Å; T35-A411 PolarHBondContact OG1-N 3.49Å; L38-A411 HydrophobicContact CD1-CB 3.48Å; L38-A411 VanDerWaalsContact CD1-CB 3.48Å; F39-A411 HydrophobicContact CE2-CB 4.16Å; I387-A411 HydrophobicContact CD1-CB 4.12Å; M395-A411 WeakPolarHBondContact O-CA 3.15Å; L396-A411 HydrophobicContact CD2-CB 3.63Å
412	L	96.8	Very high	79.6	Confident	3 Å²	3	79.6 Å²	79.6	2%	0.016	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	112.9	179.4	-58.2	-177.3	0	0	0	108.8	L31 Q32 D33 D372 L373 I376 D394 M395 I397	L31-L412 HydrophobicContact CB-CB 4.34Å; L31-L412 HydrophobicContact CD1-CD1 4.08Å; L31-L412 HydrophobicContact CD2-CB 4.5Å; Q32-L412 CarbonylContact O-C 3.42Å; Q32-L412 WeakPolarHBondContact O-CA 3.01Å; D33-L412 HydrophobicContact CB-CD2 3.95Å; D372-L412 HydrophobicContact CB-CD2 4.4Å; L373-L412 HydrophobicContact CB-CD1 4.12Å; L373-L412 HydrophobicContact CD1-CD1 3.84Å; I376-L412 HydrophobicContact CD1-CD1 3.93Å; I376-L412 HydrophobicContact CD1-CD2 4.38Å; I376-L412 HydrophobicContact CD1-CG 4.25Å; D394-L412 WeakPolarHBondContact CB-O 3.35Å; M395-L412 HydrophobicContact CB-CB 4.38Å; M395-L412 PolarHBondContact N-O 3.33Å; M395-L412 PolarHBondContact O-N 2.91Å; I397-L412 HydrophobicContact CD1-CB 4.47Å; I397-L412 HydrophobicContact CD1-CD1 3.72Å; I397-L412 HydrophobicContact CD1-CG 3.86Å
413	K	95.3	Very high	78.3	Confident	56 Å²	56	78.6 Å²	78.6	24%	0.243	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	133	171.9	-179	-177	-175.6	-173.1	0	110.2	L31 Q32 V34 Y388 D394	L31-K413 CarbonylContact C-O 3.52Å; L31-K413 VanDerWaalsContact CA-O 3.28Å; L31-K413 WeakPolarHBondContact CA-O 3.38Å; Q32-K413 HydrophobicContact CB-CB 4.37Å; Q32-K413 PolarHBondContact N-O 3.36Å; Q32-K413 PolarHBondContact O-N 3.29Å; V34-K413 HydrophobicContact CG1-CB 3.89Å; V34-K413 HydrophobicContact CG2-CB 4.06Å; Y388-K413 HydrophobicContact CD2-CD 4.21Å; Y388-K413 HydrophobicContact CD2-CG 4.3Å; Y388-K413 HydrophobicContact CE2-CB 4.11Å; Y388-K413 HydrophobicContact CE2-CD 3.5Å; Y388-K413 HydrophobicContact CE2-CG 3.67Å; D394-K413 VanDerWaalsContact OD1-CA 3.22Å; D394-K413 WeakPolarHBondContact OD1-CA 3.43Å; D394-K413 WeakPolarHBondContact OD1-CG 3.42Å
414	N	92.8	Very high	76.7	Confident	5 Å²	5	79.3 Å²	79.3	3%	0.027	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	109.1	170.7	-176.8	10.9	0	0	0	109.8	L31 Y322 I392 L393 D394 F416	L31-N414 HydrophobicContact CD2-CB 4.24Å; Y322-N414 PolarHBondContact O-ND2 3.44Å; I392-N414 HydrophobicContact CG2-CB 4.01Å; L393-N414 VanDerWaalsContact O-CB 3.25Å; L393-N414 WeakPolarHBondContact O-CB 3.45Å; L393-N414 PolarHBondContact O-ND2 2.65Å; D394-N414 PolarHBondContact OD1-N 3.45Å; N414-F416 PolarHBondContact O-N 3.02Å; N414-F416 WeakPolarHBondContact OD1-CB 3.2Å; N414-F416 PolarHBondContact OD1-N 3.13Å
415	N	86.3	Confident	75.3	Confident	58 Å²	58	79.3 Å²	79.3	31%	0.31	41%	0.409	S	S	.	.			trans	-81.9	40.4	176.9	-66.3	-48.3	0	0	0	112.4	A30 Q32 E417	A30-N415 WeakPolarHBondContact O-CB 3.37Å; A30-N415 PolarHBondContact O-ND2 2.89Å; Q32-N415 WeakPolarHBondContact CB-ND2 3.43Å; N415-E417 PolarHBondContact O-N 2.8Å
416	F	81.6	Confident	73.5	Confident	29 Å²	29	83.2 Å²	83.2	13%	0.127	43%	0.425	C	S	.	.			trans	-70.4	116.3	174.6	-176.6	-104.2	0	0	0	109.5	F29 N323 L324 I392 N414 A418	F29-F416 AromaticContact CD1-CD2 3.89Å; F29-F416 HydrophobicContact CD1-CD2 3.89Å; F29-F416 HydrophobicContact CD1-CE2 4.47Å; F29-F416 AromaticContact CE1-CD2 3.49Å; F29-F416 HydrophobicContact CE1-CD2 3.49Å; F29-F416 VanDerWaalsContact CE1-CD2 3.49Å; F29-F416 AromaticContact CE1-CE2 3.63Å; F29-F416 HydrophobicContact CE1-CE2 3.63Å; F29-F416 HydrophobicContact CZ-CE2 4.38Å; N323-F416 HydrophobicContact CB-CE2 4.21Å; N323-F416 WeakPolarHBondContact O-CE1 3.22Å; N323-F416 WeakPolarHBondContact O-CE2 3.29Å; N323-F416 WeakPolarHBondContact O-CZ 3.43Å; L324-F416 HydrophobicContact CB-CE1 3.97Å; L324-F416 HydrophobicContact CD1-CD1 4.2Å; L324-F416 HydrophobicContact CD1-CE1 3.94Å; L324-F416 HydrophobicContact CG-CD1 4.34Å; L324-F416 HydrophobicContact CG-CE1 3.98Å; I392-F416 WeakPolarHBondContact CD1-O 3.5Å; I392-F416 HydrophobicContact CG2-CB 3.99Å; N414-F416 PolarHBondContact O-N 3.02Å; N414-F416 WeakPolarHBondContact OD1-CB 3.2Å; N414-F416 PolarHBondContact OD1-N 3.13Å; F416-A418 HydrophobicContact CD1-CB 4.29Å; F416-A418 HydrophobicContact CE1-CB 3.67Å; F416-A418 HydrophobicContact CZ-CB 4.38Å
417	E	68.4	Low	72.6	Confident	174 Å²	174	86.1 Å²	86.1	81%	0.813	44%	0.439	S	S	*	.			trans	-102.7	103	172.1	-70.3	-173.5	169	0	0	109	N415 D419	N415-E417 PolarHBondContact O-N 2.8Å; E417-D419 PolarHBondContact O-N 2.99Å
418	A	59.5	Low	71.4	Confident	54 Å²	54	89.6 Å²	89.6	45%	0.446	46%	0.457	S	S	.	.			trans	-81.1	105.3	167.2	0	0	0	0	0	109.5	L324 F416 A420	L324-A418 HydrophobicContact CD1-CB 4.37Å; F416-A418 HydrophobicContact CD1-CB 4.29Å; F416-A418 HydrophobicContact CE1-CB 3.67Å; F416-A418 HydrophobicContact CZ-CB 4.38Å; A418-A420 PolarHBondContact O-N 3.28Å
419	D	52.4	Low	70	Confident	129 Å²	129	92.4 Å²	92.4	69%	0.69	47%	0.471	S	S	*	.			trans	-68.7	75.3	165.7	-90	-15.1	0	0	0	109.8	E417 Y421	E417-D419 PolarHBondContact O-N 2.99Å; D419-Y421 HydrophobicContact CB-CD2 4.49Å; D419-Y421 HydrophobicContact CB-CE2 4.01Å; D419-Y421 PolarHBondContact O-N 2.94Å; D419-Y421 VanDerWaalsContact O-N 3.11Å
420	A	54.4	Low	68.4	Low	74 Å²	74	97.8 Å²	97.8	61%	0.612	50%	0.499	S	S	*	.			trans	-79.6	92.6	174.8	0	0	0	0	0	110.2	A418 F422	A418-A420 PolarHBondContact O-N 3.28Å; A420-F422 WeakPolarHBondContact O-CD1 3.34Å; A420-F422 PolarHBondContact O-N 3.16Å; A420-F422 VanDerWaalsContact O-N 3.11Å
421	Y	48.2	Very low	66.6	Low	205 Å²	205	102.6 Å²	102.6	80%	0.804	52%	0.524	S	S	*	.			trans	-72.3	96	166	-66.2	-87.1	0	0	0	109.9	D419	D419-Y421 HydrophobicContact CB-CD2 4.49Å; D419-Y421 HydrophobicContact CB-CE2 4.01Å; D419-Y421 PolarHBondContact O-N 2.94Å; D419-Y421 VanDerWaalsContact O-N 3.11Å
422	F	58.1	Low	64.5	Low	180 Å²	180	109.4 Å²	109.4	79%	0.789	56%	0.559	S	S	*	*			trans	-81.3	124.9	170.1	44.2	-91.1	0	0	0	110.9	A420 K424	A420-F422 WeakPolarHBondContact O-CD1 3.34Å; A420-F422 PolarHBondContact O-N 3.16Å; A420-F422 VanDerWaalsContact O-N 3.11Å; F422-K424 PolarHBondContact O-N 2.98Å
423	V	49.1	Very low	62.2	Low	126 Å²	126	117 Å²	117	76%	0.764	60%	0.597	S	S	*	*			trans	-82.8	105.3	163.2	-179.5	0	0	0	0	107.5	V425	V423-V425 HydrophobicContact CG1-CG2 3.78Å; V423-V425 PolarHBondContact O-N 2.88Å; V423-V425 VanDerWaalsContact O-N 3.09Å
424	K	39	Very low	59.6	Low	181 Å²	181	121.7 Å²	121.7	79%	0.787	63%	0.625	S	S	*	*			trans	-72.9	98.6	167.5	-170.8	173.5	-175.1	173.7	0	108.6	F422	F422-K424 PolarHBondContact O-N 2.98Å
425	V	43.4	Very low	56.9	Low	127 Å²	127	131.4 Å²	131.4	77%	0.77	68%	0.675	S	S	*	*			trans	-85.6	120.1	167.3	-166.2	0	0	0	0	107.1	V423	V423-V425 HydrophobicContact CG1-CG2 3.78Å; V423-V425 PolarHBondContact O-N 2.88Å; V423-V425 VanDerWaalsContact O-N 3.09Å
426	M	42.2	Very low	54.2	Low	240 Å²	240	138.1 Å²	138.1	100%	1.182	71%	0.708	S	S	*	*			trans	-75.2	0	175.4	-78.6	-166.1	-64.3	0	0	112.2

Retrieved 426 of 426 residues in 235.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).