A0A077Z0C7_TRITR Loading...

Putative proteasomal atpase-associated factor 1

AlphaFold DB , UniProt , Accession A0A077Z0C7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 368 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	M	33	Very low	40.4	Very low	122 Å²	122	77.4 Å²	77.4	60%	0.601	41%	0.406	S	S	*	.				0	130.2	0	-59.8	173.2	56	0	0	106.1	L8 L9 V10 V85	M1-L8 CarbonylContact O-C 3.58Å; M1-L9 WeakPolarHBondContact CA-O 3.48Å; M1-L9 HydrophobicContact CB-CB 4.15Å; M1-L9 WeakPolarHBondContact CB-O 3.22Å; M1-L9 PolarHBondContact N-O 3.43Å; M1-L9 CarbonylContact O-C 3.59Å; M1-L9 VanDerWaalsContact O-CA 3.23Å; M1-L9 WeakPolarHBondContact O-CA 3.27Å; M1-L9 VanDerWaalsContact O-CB 3.23Å; M1-L9 WeakPolarHBondContact O-CB 3.43Å; M1-L9 PolarHBondContact O-N 3.15Å; M1-V10 HydrophobicContact CG-CG2 4.29Å; M1-V85 HydrophobicContact CB-CG1 4.14Å; M1-V85 HydrophobicContact CB-CG2 3.97Å; M1-V85 HydrophobicContact CE-CG1 4Å; M1-V85 HydrophobicContact CG-CG1 3.96Å
2	V	43.7	Very low	40.5	Very low	28 Å²	28	82.5 Å²	82.5	17%	0.17	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-102.9	132	172.7	-177.3	0	0	0	0	107.7	G6 T7 L8 V85	V2-G6 VanDerWaalsContact CG1-CA 3.46Å; V2-T7 CarbonylContact C-O 3.56Å; V2-T7 VanDerWaalsContact CA-O 3.23Å; V2-T7 WeakPolarHBondContact CA-O 3.46Å; V2-L8 HydrophobicContact CG2-CD1 3.73Å; V2-V85 WeakPolarHBondContact O-CG2 3.46Å
3	D	38.6	Very low	40.8	Very low	55 Å²	55	80.5 Å²	80.5	29%	0.294	42%	0.423	S	S	.	.			trans	-76.1	174.3	174.5	80	-0.7	0	0	0	112.1	N5 G6 T7 L9	D3-N5 PolarHBondContact O-N 3.42Å; D3-N5 WeakPolarHBondContact OD1-CA 3.25Å; D3-N5 WeakPolarHBondContact OD1-CB 3.42Å; D3-N5 PolarHBondContact OD1-N 3.48Å; D3-G6 PolarHBondContact O-N 3.26Å; D3-G6 PolarHBondContact OD1-N 2.66Å; D3-T7 VanDerWaalsContact CG-CB 3.44Å; D3-T7 VanDerWaalsContact CG-OG1 3.32Å; D3-T7 PolarHBondContact N-O 2.64Å; D3-T7 WeakPolarHBondContact OD1-CB 3.49Å; D3-T7 PolarHBondContact OD1-N 3.02Å; D3-T7 PolarHBondContact OD1-OG1 2.8Å; D3-T7 PolarHBondContact OD2-OG1 3.26Å; D3-L9 HydrophobicContact CB-CD1 4.23Å
4	R	32.7	Very low	40.8	Very low	248 Å²	248	82.4 Å²	82.4	94%	0.936	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-12.8	179.9	-72.1	-174.8	178.8	-177.2	-0.8	114.3
5	N	39	Very low	41	Very low	140 Å²	140	90.1 Å²	90.1	75%	0.749	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	7.7	179.8	-61.4	-19.7	0	0	0	112.3	D3	D3-N5 PolarHBondContact O-N 3.42Å; D3-N5 WeakPolarHBondContact OD1-CA 3.25Å; D3-N5 WeakPolarHBondContact OD1-CB 3.42Å; D3-N5 PolarHBondContact OD1-N 3.48Å
6	G	43.7	Very low	42	Very low	34 Å²	34	93.6 Å²	93.6	35%	0.351	46%	0.462	S	S	.	.	S	Bend	trans	84.9	9.5	-179.4	0	0	0	0	0	114.3	V2 D3 L8	V2-G6 VanDerWaalsContact CG1-CA 3.46Å; D3-G6 PolarHBondContact O-N 3.26Å; D3-G6 PolarHBondContact OD1-N 2.66Å; G6-L8 PolarHBondContact O-N 3.09Å
7	T	40	Very low	42.7	Very low	28 Å²	28	95.6 Å²	95.6	17%	0.172	47%	0.471	C	S	.	.			trans	-78.4	114.4	-179.4	-43.4	0	0	0	0	110.4	V2 D3 L9 K72	V2-T7 CarbonylContact C-O 3.56Å; V2-T7 VanDerWaalsContact CA-O 3.23Å; V2-T7 WeakPolarHBondContact CA-O 3.46Å; D3-T7 VanDerWaalsContact CG-CB 3.44Å; D3-T7 VanDerWaalsContact CG-OG1 3.32Å; D3-T7 PolarHBondContact N-O 2.64Å; D3-T7 WeakPolarHBondContact OD1-CB 3.49Å; D3-T7 PolarHBondContact OD1-N 3.02Å; D3-T7 PolarHBondContact OD1-OG1 2.8Å; D3-T7 PolarHBondContact OD2-OG1 3.26Å; T7-L9 HydrophobicContact CG2-CD2 4.43Å; T7-L9 PolarHBondContact O-N 2.94Å; T7-K72 HydrophobicContact CG2-CB 3.57Å; T7-K72 HydrophobicContact CG2-CD 3.99Å; T7-K72 HydrophobicContact CG2-CG 3.68Å
8	L	44.7	Very low	43.6	Very low	32 Å²	32	95.4 Å²	95.4	17%	0.168	48%	0.477	C	S	.	.	B	Isolated β-bridge	trans	-69.2	125.3	171.8	-168.6	82.4	0	0	0	110.2	M1 V2 G6 C30 K72 Y73	M1-L8 CarbonylContact O-C 3.58Å; V2-L8 HydrophobicContact CG2-CD1 3.73Å; G6-L8 PolarHBondContact O-N 3.09Å; L8-C30 HydrophobicContact CD2-CB 3.27Å; L8-K72 WeakPolarHBondContact O-CA 3.4Å; L8-Y73 HydrophobicContact CB-CD1 4.36Å; L8-Y73 HydrophobicContact CB-CG 4.28Å; L8-Y73 PolarHBondContact O-N 3.26Å; L8-Y73 VanDerWaalsContact O-N 3.16Å
9	L	41.9	Very low	44.7	Very low	47 Å²	47	92.7 Å²	92.7	25%	0.246	47%	0.465	C	S	.	.			trans	-124.7	71.7	177.3	-56.7	170.3	0	0	0	108.5	M1 D3 T7 L70 K72	M1-L9 WeakPolarHBondContact CA-O 3.48Å; M1-L9 HydrophobicContact CB-CB 4.15Å; M1-L9 WeakPolarHBondContact CB-O 3.22Å; M1-L9 PolarHBondContact N-O 3.43Å; M1-L9 CarbonylContact O-C 3.59Å; M1-L9 VanDerWaalsContact O-CA 3.23Å; M1-L9 WeakPolarHBondContact O-CA 3.27Å; M1-L9 VanDerWaalsContact O-CB 3.23Å; M1-L9 WeakPolarHBondContact O-CB 3.43Å; M1-L9 PolarHBondContact O-N 3.15Å; D3-L9 HydrophobicContact CB-CD1 4.23Å; T7-L9 HydrophobicContact CG2-CD2 4.43Å; T7-L9 PolarHBondContact O-N 2.94Å; L9-L70 HydrophobicContact CD2-CD1 3.68Å; L9-L70 HydrophobicContact CD2-CG 4.5Å; L9-K72 HydrophobicContact CD2-CG 4.3Å
10	V	42.2	Very low	46.1	Very low	86 Å²	86	98.4 Å²	98.4	52%	0.521	49%	0.49	S	S	.	.			trans	-158.7	120.7	148.1	167.2	0	0	0	0	105.9	M1	M1-V10 HydrophobicContact CG-CG2 4.29Å
11	A	45.2	Very low	47.4	Very low	31 Å²	31	100.2 Å²	100.2	26%	0.256	50%	0.501	S	S	.	.			trans	-115	122.9	152.3	0	0	0	0	0	107.2	I28 V71	A11-I28 HydrophobicContact CB-CB 4.36Å; A11-I28 HydrophobicContact CB-CD1 4.45Å; A11-I28 HydrophobicContact CB-CG1 3.96Å; A11-I28 HydrophobicContact CB-CG2 3.71Å; A11-V71 HydrophobicContact CB-CB 3.74Å; A11-V71 HydrophobicContact CB-CG1 4.24Å; A11-V71 HydrophobicContact CB-CG2 3.31Å
12	Q	41.6	Very low	49	Very low	139 Å²	139	96.9 Å²	96.9	65%	0.65	50%	0.498	S	S	*	.			trans	-88.8	116.9	156.9	-179.5	176	-25.9	0	0	105.4	D14	Q12-D14 PolarHBondContact NE2-OD1 3.36Å
13	S	43.9	Very low	50	Low	56 Å²	56	97.7 Å²	97.7	39%	0.392	50%	0.5	S	S	.	.			trans	-82	113.8	164.2	58.9	0	0	0	0	106.5	W15	S13-W15 VanDerWaalsContact C-N 3.32Å
14	D	41	Very low	51.1	Low	107 Å²	107	96.5 Å²	96.5	57%	0.572	49%	0.494	S	S	*	.			trans	-70.4	-36.2	175.7	-75.4	-28.7	0	0	0	110.1	Q12	Q12-D14 PolarHBondContact NE2-OD1 3.36Å
15	W	43.3	Very low	52.5	Low	198 Å²	198	87.4 Å²	87.4	75%	0.75	46%	0.462	S	S	*	.			trans	-154.4	153.2	-171.8	-83.1	71.2	0	0	0	111	S13	S13-W15 VanDerWaalsContact C-N 3.32Å
16	Y	57.4	Low	53.6	Low	146 Å²	146	81.7 Å²	81.7	57%	0.573	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.2	161.3	67.8	-92.3	0	0	0	109.1	L24 E25 F26	Y16-L24 HydrophobicContact CD2-CD2 3.56Å; Y16-L24 HydrophobicContact CE2-CD2 3.89Å; Y16-E25 VanDerWaalsContact CA-O 3.25Å; Y16-E25 WeakPolarHBondContact CA-O 3.26Å; Y16-E25 WeakPolarHBondContact CB-O 3.29Å; Y16-F26 HydrophobicContact CD1-CE1 4.13Å; Y16-F26 HydrophobicContact CG-CE1 4.04Å
17	E	53.3	Low	54.2	Low	129 Å²	129	87 Å²	87	60%	0.603	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.3	168.7	-73.7	-173.8	168.9	0	0	108.4	N19 E25	E17-N19 PolarHBondContact O-N 3.2Å; E17-E25 PolarHBondContact O-N 2.93Å; E17-E25 VanDerWaalsContact O-N 3.1Å
18	P	59.7	Low	55.1	Low	91 Å²	91	85.8 Å²	85.8	59%	0.591	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	127.1	164.3	12.3	-4.7	0	0	0	108.8	Q23	P18-Q23 CarbonylContact C-O 3.57Å; P18-Q23 VanDerWaalsContact CA-O 3.29Å; P18-Q23 WeakPolarHBondContact CA-O 3.16Å
19	N	63.9	Low	55.5	Low	44 Å²	44	86.3 Å²	86.3	24%	0.235	44%	0.439	C	S	.	.			trans	-71.1	176.1	171.3	71.3	5	0	0	0	111.2	E17 D21 G22 Q23	E17-N19 PolarHBondContact O-N 3.2Å; N19-D21 PolarHBondContact O-N 3.24Å; N19-D21 VanDerWaalsContact O-N 3.07Å; N19-D21 PolarHBondContact OD1-N 3.03Å; N19-D21 VanDerWaalsContact OD1-N 3.14Å; N19-G22 PolarHBondContact O-N 3.33Å; N19-G22 PolarHBondContact OD1-N 3.29Å; N19-G22 VanDerWaalsContact OD1-N 3.15Å; N19-Q23 PolarHBondContact N-O 3.47Å; N19-Q23 WeakPolarHBondContact OD1-CA 3.45Å; N19-Q23 WeakPolarHBondContact OD1-CB 3.23Å; N19-Q23 PolarHBondContact OD1-N 2.89Å; N19-Q23 PolarHBondContact OD1-O 3.42Å
20	E	73.8	Confident	56.1	Low	206 Å²	206	84.6 Å²	84.6	96%	0.963	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-25.3	-179.7	-64.3	-174.1	171.3	0	0	113.4
21	D	72.9	Confident	56.3	Low	137 Å²	137	84.4 Å²	84.4	73%	0.733	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	1.1	177.8	-64	-42	0	0	0	113.7	N19 Q23	N19-D21 PolarHBondContact O-N 3.24Å; N19-D21 VanDerWaalsContact O-N 3.07Å; N19-D21 PolarHBondContact OD1-N 3.03Å; N19-D21 VanDerWaalsContact OD1-N 3.14Å; D21-Q23 VanDerWaalsContact C-N 3.33Å; D21-Q23 HydrophobicContact CB-CG 4.36Å
22	G	66.6	Low	56.2	Low	53 Å²	53	85.5 Å²	85.5	55%	0.546	42%	0.423	S	S	.	.	S	Bend	trans	77.5	11.3	-178.2	0	0	0	0	0	115	N19	N19-G22 PolarHBondContact O-N 3.33Å; N19-G22 PolarHBondContact OD1-N 3.29Å; N19-G22 VanDerWaalsContact OD1-N 3.15Å
23	Q	64.6	Low	56.7	Low	44 Å²	44	80.4 Å²	80.4	21%	0.206	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-82.3	144	174.1	-54.2	177.9	-12	0	0	110.6	P18 N19 D21 E25 A44	P18-Q23 CarbonylContact C-O 3.57Å; P18-Q23 VanDerWaalsContact CA-O 3.29Å; P18-Q23 WeakPolarHBondContact CA-O 3.16Å; N19-Q23 PolarHBondContact N-O 3.47Å; N19-Q23 WeakPolarHBondContact OD1-CA 3.45Å; N19-Q23 WeakPolarHBondContact OD1-CB 3.23Å; N19-Q23 PolarHBondContact OD1-N 2.89Å; N19-Q23 PolarHBondContact OD1-O 3.42Å; D21-Q23 VanDerWaalsContact C-N 3.33Å; D21-Q23 HydrophobicContact CB-CG 4.36Å; Q23-E25 PolarHBondContact O-N 2.92Å; Q23-A44 WeakPolarHBondContact CA-O 3.31Å
24	L	62.1	Low	56.4	Low	31 Å²	31	83.4 Å²	83.4	16%	0.162	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	119.4	173.3	-66.4	167.5	0	0	0	109.4	Y16 F26 T43 A44 T47	Y16-L24 HydrophobicContact CD2-CD2 3.56Å; Y16-L24 HydrophobicContact CE2-CD2 3.89Å; L24-F26 HydrophobicContact CB-CE2 3.68Å; L24-F26 HydrophobicContact CB-CZ 3.98Å; L24-F26 HydrophobicContact CD1-CZ 4.37Å; L24-T43 WeakPolarHBondContact O-CA 3.5Å; L24-A44 PolarHBondContact N-O 3.22Å; L24-A44 PolarHBondContact O-N 3.27Å; L24-A44 VanDerWaalsContact O-N 3.08Å; L24-T47 HydrophobicContact CD1-CG2 3.61Å
25	E	61.5	Low	56.3	Low	56 Å²	56	81.9 Å²	81.9	26%	0.262	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.7	174.9	-164	-177.1	165.4	0	0	110.7	Y16 E17 Q23 W27 T41 V42	Y16-E25 VanDerWaalsContact CA-O 3.25Å; Y16-E25 WeakPolarHBondContact CA-O 3.26Å; Y16-E25 WeakPolarHBondContact CB-O 3.29Å; E17-E25 PolarHBondContact O-N 2.93Å; E17-E25 VanDerWaalsContact O-N 3.1Å; Q23-E25 PolarHBondContact O-N 2.92Å; E25-W27 PolarHBondContact OE1-NE1 3.13Å; E25-T41 HydrophobicContact CG-CG2 3.36Å; E25-T41 WeakPolarHBondContact OE1-CG2 3.14Å; E25-T41 PolarHBondContact OE1-OG1 2.83Å; E25-V42 CarbonylContact C-O 3.41Å; E25-V42 WeakPolarHBondContact CA-O 3.17Å
26	F	62.6	Low	56.3	Low	20 Å²	20	77.7 Å²	77.7	9%	0.088	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135	173.4	-51.2	-96.9	0	0	0	110.3	Y16 L24 T41 V42 F63 L69	Y16-F26 HydrophobicContact CD1-CE1 4.13Å; Y16-F26 HydrophobicContact CG-CE1 4.04Å; L24-F26 HydrophobicContact CB-CE2 3.68Å; L24-F26 HydrophobicContact CB-CZ 3.98Å; L24-F26 HydrophobicContact CD1-CZ 4.37Å; F26-T41 WeakPolarHBondContact O-CA 3.08Å; F26-V42 HydrophobicContact CB-CB 4.17Å; F26-V42 HydrophobicContact CD2-CB 4.27Å; F26-V42 HydrophobicContact CD2-CG1 4.3Å; F26-V42 PolarHBondContact N-O 3.36Å; F26-V42 PolarHBondContact O-N 2.76Å; F26-F63 HydrophobicContact CE2-CE1 4.4Å; F26-F63 HydrophobicContact CE2-CZ 4.2Å; F26-F63 HydrophobicContact CZ-CE1 4.43Å; F26-L69 HydrophobicContact CB-CD1 4.38Å; F26-L69 HydrophobicContact CD1-CD1 3.93Å; F26-L69 HydrophobicContact CD2-CD1 4.4Å; F26-L69 HydrophobicContact CE1-CD1 4.3Å; F26-L69 HydrophobicContact CG-CD1 3.98Å
27	W	56.5	Low	55.8	Low	145 Å²	145	77.4 Å²	77.4	55%	0.549	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.9	172.5	-66.5	3.2	0	0	0	109.9	E25	E25-W27 PolarHBondContact OE1-NE1 3.13Å
28	I	58.9	Low	55.8	Low	3 Å²	3	71.8 Å²	71.8	2%	0.015	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.2	171.4	-61	165.7	0	0	0	107	A11 R39 A40 V42 F59 V61 V71	A11-I28 HydrophobicContact CB-CB 4.36Å; A11-I28 HydrophobicContact CB-CD1 4.45Å; A11-I28 HydrophobicContact CB-CG1 3.96Å; A11-I28 HydrophobicContact CB-CG2 3.71Å; I28-R39 CarbonylContact O-C 3.55Å; I28-R39 VanDerWaalsContact O-CA 3.25Å; I28-R39 WeakPolarHBondContact O-CA 3.26Å; I28-A40 HydrophobicContact CB-CB 4.48Å; I28-A40 PolarHBondContact N-O 3.35Å; I28-A40 PolarHBondContact O-N 3.23Å; I28-V42 HydrophobicContact CD1-CG2 3.37Å; I28-V42 HydrophobicContact CG1-CG2 4.2Å; I28-F59 HydrophobicContact CG2-CD1 4.44Å; I28-F59 HydrophobicContact CG2-CE1 4.2Å; I28-V61 HydrophobicContact CD1-CG2 3.61Å; I28-V71 HydrophobicContact CD1-CB 4.34Å; I28-V71 HydrophobicContact CD1-CG1 3.92Å; I28-V71 HydrophobicContact CD1-CG2 3.48Å; I28-V71 VanDerWaalsContact CD1-CG2 3.48Å; I28-V71 HydrophobicContact CG1-CG2 4.2Å; I28-V71 HydrophobicContact CG2-CG1 4.1Å
29	S	53.1	Low	55.6	Low	43 Å²	43	74.9 Å²	74.9	30%	0.301	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.4	166	70.3	0	0	0	0	111.2	I38	S29-I38 CarbonylContact C-O 3.48Å; S29-I38 VanDerWaalsContact CA-O 3.23Å; S29-I38 WeakPolarHBondContact CA-O 3.2Å
30	C	53.5	Low	55.5	Low	11 Å²	11	72.8 Å²	72.8	7%	0.074	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	155	167.1	73.7	0	0	0	0	110.6	L8 R37 I38 F59	L8-C30 HydrophobicContact CD2-CB 3.27Å; C30-R37 CarbonylContact O-C 3.54Å; C30-R37 VanDerWaalsContact O-CA 3.29Å; C30-R37 WeakPolarHBondContact O-CA 3.46Å; C30-I38 PolarHBondContact N-O 3.37Å; C30-I38 PolarHBondContact O-N 3.01Å; C30-F59 HydrophobicContact CB-CE1 4.33Å; C30-F59 WeakPolarHBondContact SG-CZ 3.38Å
31	E	46.8	Very low	55	Low	83 Å²	83	65 Å²	65	39%	0.388	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.9	-179.7	-157	163.8	150.1	0	0	108.8	N339	E31-N339 PolarHBondContact OE1-ND2 3.35Å; E31-N339 PolarHBondContact OE2-ND2 2.67Å
32	K	44.3	Very low	54.6	Low	53 Å²	53	58.5 Å²	58.5	23%	0.23	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	101.6	-178.7	175.3	-168.8	168.9	-160.4	0	108.4	S34 E35 I38	K32-S34 PolarHBondContact O-N 2.75Å; K32-E35 HydrophobicContact CB-CB 4.35Å; K32-E35 IonicContact NZ-OE1 3.08Å; K32-E35 PolarHBondContact NZ-OE1 3.38Å; K32-E35 PolarHBondContact O-N 2.83Å; K32-I38 HydrophobicContact CB-CD1 4.33Å
33	G	50.7	Low	54.5	Low	33 Å²	33	57.3 Å²	57.3	34%	0.34	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	-97.4	169	0	0	0	0	0	114.9	R319	G33-R319 PolarHBondContact O-NH2 3.1Å
34	S	38.8	Very low	54.5	Low	119 Å²	119	55.3 Å²	55.3	83%	0.832	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-7.9	177.8	54.2	0	0	0	0	115.1	K32	K32-S34 PolarHBondContact O-N 2.75Å
35	E	38.1	Very low	54.7	Low	74 Å²	74	60.9 Å²	60.9	35%	0.346	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.6	174.9	-74.8	175.9	-148.1	0	0	110.5	K32 R37	K32-E35 HydrophobicContact CB-CB 4.35Å; K32-E35 IonicContact NZ-OE1 3.08Å; K32-E35 PolarHBondContact NZ-OE1 3.38Å; K32-E35 PolarHBondContact O-N 2.83Å; E35-R37 PolarHBondContact O-N 2.85Å
36	S	43.3	Very low	54.6	Low	110 Å²	110	60.4 Å²	60.4	77%	0.769	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.7	130.1	170.1	53.8	0	0	0	0	110.2	I38	S36-I38 PolarHBondContact O-N 2.82Å
37	R	47.8	Very low	54.4	Low	141 Å²	141	62.2 Å²	62.2	53%	0.532	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-7.1	106.3	174.3	-75.1	-175.2	-178.8	-172.6	1.7	114.6	C30 E35 R39	C30-R37 CarbonylContact O-C 3.54Å; C30-R37 VanDerWaalsContact O-CA 3.29Å; C30-R37 WeakPolarHBondContact O-CA 3.46Å; E35-R37 PolarHBondContact O-N 2.85Å; R37-R39 PolarHBondContact O-N 2.88Å
38	I	53.2	Low	54.4	Low	10 Å²	10	61.1 Å²	61.1	5%	0.051	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	121.5	169.2	-54.9	170.6	0	0	0	107.2	S29 C30 K32 S36 F59 Y73	S29-I38 CarbonylContact C-O 3.48Å; S29-I38 VanDerWaalsContact CA-O 3.23Å; S29-I38 WeakPolarHBondContact CA-O 3.2Å; C30-I38 PolarHBondContact N-O 3.37Å; C30-I38 PolarHBondContact O-N 3.01Å; K32-I38 HydrophobicContact CB-CD1 4.33Å; S36-I38 PolarHBondContact O-N 2.82Å; I38-F59 HydrophobicContact CB-CE2 4.48Å; I38-F59 HydrophobicContact CB-CZ 4.1Å; I38-F59 HydrophobicContact CG2-CE2 3.42Å; I38-F59 VanDerWaalsContact CG2-CE2 3.42Å; I38-F59 HydrophobicContact CG2-CZ 3.51Å; I38-Y73 HydrophobicContact CD1-CE2 3.93Å; I38-Y73 WeakPolarHBondContact CD1-OH 3.38Å
39	R	55.3	Low	54.2	Low	156 Å²	156	64.3 Å²	64.3	59%	0.589	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.9	177	-70.1	-174.4	-175.3	-178.2	1.4	110.5	I28 R37	I28-R39 CarbonylContact O-C 3.55Å; I28-R39 VanDerWaalsContact O-CA 3.25Å; I28-R39 WeakPolarHBondContact O-CA 3.26Å; R37-R39 PolarHBondContact O-N 2.88Å
40	A	60.4	Low	54.3	Low	1 Å²	1	67.5 Å²	67.5	1%	0.008	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.1	168.3	0	0	0	0	0	109.8	I28 V54 D56 F59	I28-A40 HydrophobicContact CB-CB 4.48Å; I28-A40 PolarHBondContact N-O 3.35Å; I28-A40 PolarHBondContact O-N 3.23Å; A40-V54 HydrophobicContact CB-CG1 3.83Å; A40-D56 HydrophobicContact CB-CB 4.17Å; A40-F59 HydrophobicContact CB-CB 4.47Å; A40-F59 HydrophobicContact CB-CD2 3.68Å; A40-F59 HydrophobicContact CB-CE2 3.9Å; A40-F59 HydrophobicContact CB-CG 4Å; A40-F59 HydrophobicContact CB-CZ 4.4Å
41	T	63.7	Low	54.4	Low	42 Å²	42	74.7 Å²	74.7	26%	0.258	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.6	171.2	-67.7	0	0	0	0	108.6	E25 F26 T43 V54 S55	E25-T41 HydrophobicContact CG-CG2 3.36Å; E25-T41 WeakPolarHBondContact OE1-CG2 3.14Å; E25-T41 PolarHBondContact OE1-OG1 2.83Å; F26-T41 WeakPolarHBondContact O-CA 3.08Å; T41-T43 HydrophobicContact CG2-CG2 4.26Å; T41-V54 WeakPolarHBondContact O-CA 3.2Å; T41-S55 PolarHBondContact N-OG 2.99Å; T41-S55 PolarHBondContact O-N 3.35Å
42	V	63.9	Low	55.3	Low	0 Å²	0	71.7 Å²	71.7	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	124.8	173.2	-179.9	0	0	0	0	109.3	E25 F26 I28 A52 Q53 V54 V61	E25-V42 CarbonylContact C-O 3.41Å; E25-V42 WeakPolarHBondContact CA-O 3.17Å; F26-V42 HydrophobicContact CB-CB 4.17Å; F26-V42 HydrophobicContact CD2-CB 4.27Å; F26-V42 HydrophobicContact CD2-CG1 4.3Å; F26-V42 PolarHBondContact N-O 3.36Å; F26-V42 PolarHBondContact O-N 2.76Å; I28-V42 HydrophobicContact CD1-CG2 3.37Å; I28-V42 HydrophobicContact CG1-CG2 4.2Å; V42-A52 HydrophobicContact CG1-CB 3.46Å; V42-A52 VanDerWaalsContact CG1-CB 3.46Å; V42-Q53 CarbonylContact C-O 3.52Å; V42-Q53 VanDerWaalsContact CA-O 3.27Å; V42-Q53 WeakPolarHBondContact CA-O 3.44Å; V42-V54 HydrophobicContact CG2-CG1 4.35Å; V42-V54 HydrophobicContact CG2-CG2 4.33Å; V42-V61 HydrophobicContact CG1-CG1 4.24Å; V42-V61 HydrophobicContact CG2-CB 4.27Å; V42-V61 HydrophobicContact CG2-CG1 4.12Å; V42-V61 HydrophobicContact CG2-CG2 3.86Å
43	T	65.4	Low	56.5	Low	28 Å²	28	75.9 Å²	75.9	17%	0.172	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.7	172.5	55.4	0	0	0	0	111	L24 T41 Q53	L24-T43 WeakPolarHBondContact O-CA 3.5Å; T41-T43 HydrophobicContact CG2-CG2 4.26Å; T43-Q53 PolarHBondContact N-O 2.94Å; T43-Q53 PolarHBondContact O-N 3.11Å
44	A	65.6	Low	57.6	Low	2 Å²	2	76 Å²	76	2%	0.017	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	135.5	175.4	0	0	0	0	0	111.2	Q23 L24 F63	Q23-A44 WeakPolarHBondContact CA-O 3.31Å; L24-A44 PolarHBondContact N-O 3.22Å; L24-A44 PolarHBondContact O-N 3.27Å; L24-A44 VanDerWaalsContact O-N 3.08Å; A44-F63 HydrophobicContact CB-CE2 3.95Å; A44-F63 HydrophobicContact CB-CZ 3.71Å
45	Q	64.7	Low	59.2	Low	149 Å²	149	74.1 Å²	74.1	70%	0.696	39%	0.387	S	S	*	.	S	Bend	trans	-77.2	-25.7	178.3	-70.3	-174.2	-7.8	0	0	113.1
46	S	61	Low	60.6	Low	46 Å²	46	72 Å²	72	32%	0.322	38%	0.378	S	S	.	.			trans	-157.1	150.6	177.7	174.5	0	0	0	0	109.7	D48 D49	S46-D48 PolarHBondContact O-N 2.95Å; S46-D48 PolarHBondContact OG-N 3.11Å; S46-D48 VanDerWaalsContact OG-N 3.13Å; S46-D49 PolarHBondContact O-N 3.13Å; S46-D49 VanDerWaalsContact O-N 3.17Å
47	T	57.1	Low	61.9	Low	58 Å²	58	74.1 Å²	74.1	36%	0.356	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-11.1	170.3	58.2	0	0	0	0	113.6	L24	L24-T47 HydrophobicContact CD1-CG2 3.61Å
48	D	57.6	Low	62.8	Low	121 Å²	121	69.9 Å²	69.9	65%	0.647	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-14.8	177.2	-61	-18.6	0	0	0	112.4	S46 T50 H66	S46-D48 PolarHBondContact O-N 2.95Å; S46-D48 PolarHBondContact OG-N 3.11Å; S46-D48 VanDerWaalsContact OG-N 3.13Å; D48-T50 PolarHBondContact O-N 2.88Å; D48-H66 IonicContact OD1-CE1 2.64Å; D48-H66 PolarHBondContact OD1-CE1 3.03Å; D48-H66 VanDerWaalsContact OD1-CE1 3.22Å; D48-H66 IonicContact OD1-ND1 3.18Å
49	D	53.8	Low	63.5	Low	70 Å²	70	69.8 Å²	69.8	37%	0.374	36%	0.363	S	S	.	.			trans	-84.4	119.3	-176.4	-120	-26.7	0	0	0	110.2	S46 K51 F63	S46-D49 PolarHBondContact O-N 3.13Å; S46-D49 VanDerWaalsContact O-N 3.17Å; D49-K51 PolarHBondContact O-N 2.94Å; D49-F63 WeakPolarHBondContact O-CD2 3.08Å
50	T	55	Low	64.1	Low	111 Å²	111	65.4 Å²	65.4	68%	0.681	35%	0.352	S	S	*	.	S	Bend	trans	-68.9	0.6	177.5	52.6	0	0	0	0	113.5	D48	D48-T50 PolarHBondContact O-N 2.88Å
51	K	56.9	Low	64.6	Low	162 Å²	162	65.7 Å²	65.7	70%	0.704	35%	0.354	S	S	*	.			trans	-113.2	97.4	-174.2	-66	-175.4	179.6	-179.8	0	110.6	D49	D49-K51 PolarHBondContact O-N 2.94Å
52	A	65.7	Low	64.8	Low	20 Å²	20	65.3 Å²	65.3	17%	0.165	35%	0.353	C	S	.	.			trans	-78.4	136	161.7	0	0	0	0	0	109.2	V42 V61 F63	V42-A52 HydrophobicContact CG1-CB 3.46Å; V42-A52 VanDerWaalsContact CG1-CB 3.46Å; A52-V61 HydrophobicContact CB-CB 4.1Å; A52-V61 HydrophobicContact CB-CG1 4.01Å; A52-F63 HydrophobicContact CB-CE2 4.03Å
53	Q	68.8	Low	64.9	Low	140 Å²	140	67.1 Å²	67.1	65%	0.654	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	134.9	162.6	-69	-176.7	-8.9	0	0	108.3	V42 T43	V42-Q53 CarbonylContact C-O 3.52Å; V42-Q53 VanDerWaalsContact CA-O 3.27Å; V42-Q53 WeakPolarHBondContact CA-O 3.44Å; T43-Q53 PolarHBondContact N-O 2.94Å; T43-Q53 PolarHBondContact O-N 3.11Å
54	V	72.7	Confident	64.8	Low	35 Å²	35	72.7 Å²	72.7	21%	0.212	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.7	-176.5	-165.1	0	0	0	0	108.9	A40 T41 V42 D56 F59 V61	A40-V54 HydrophobicContact CB-CG1 3.83Å; T41-V54 WeakPolarHBondContact O-CA 3.2Å; V42-V54 HydrophobicContact CG2-CG1 4.35Å; V42-V54 HydrophobicContact CG2-CG2 4.33Å; V54-D56 PolarHBondContact O-N 2.97Å; V54-F59 HydrophobicContact CG1-CB 3.73Å; V54-V61 HydrophobicContact CG1-CG2 4.3Å; V54-V61 HydrophobicContact CG2-CB 3.73Å; V54-V61 HydrophobicContact CG2-CG2 3.59Å
55	S	73.6	Confident	64.5	Low	81 Å²	81	75.4 Å²	75.4	57%	0.566	40%	0.401	S	S	*	.	S	Bend	trans	-71.9	-10	-177.8	68.5	0	0	0	0	114.5	T41	T41-S55 PolarHBondContact N-OG 2.99Å; T41-S55 PolarHBondContact O-N 3.35Å
56	D	67.5	Low	64.2	Low	29 Å²	29	74.5 Å²	74.5	16%	0.155	40%	0.397	C	S	.	.	S	Bend	trans	-138.7	116.7	-173.6	-173.1	-29.8	0	0	0	108.8	A40 V54 R58 F59	A40-D56 HydrophobicContact CB-CB 4.17Å; V54-D56 PolarHBondContact O-N 2.97Å; D56-R58 PolarHBondContact O-N 2.99Å; D56-R58 VanDerWaalsContact O-N 3.09Å; D56-R58 VanDerWaalsContact OD1-CB 3.24Å; D56-R58 WeakPolarHBondContact OD1-CB 3.24Å; D56-R58 WeakPolarHBondContact OD1-CG 3.42Å; D56-R58 IonicContact OD1-CZ 2.67Å; D56-R58 PolarHBondContact OD1-N 3.29Å; D56-R58 IonicContact OD1-NE 3.87Å; D56-R58 PolarHBondContact OD1-NE 2.89Å; D56-R58 IonicContact OD1-NH2 2.67Å; D56-R58 IonicContact OD2-CZ 3.09Å; D56-R58 IonicContact OD2-NE 3.37Å; D56-R58 PolarHBondContact OD2-NE 2.75Å; D56-R58 IonicContact OD2-NH2 2.81Å; D56-R58 PolarHBondContact OD2-NH2 3.25Å; D56-F59 HydrophobicContact CB-CD2 3.82Å; D56-F59 HydrophobicContact CB-CE2 4.17Å; D56-F59 PolarHBondContact O-N 3.03Å
57	D	69.8	Low	64.2	Low	154 Å²	154	83.8 Å²	83.8	82%	0.824	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.7	-175.2	-65.8	-22.6	0	0	0	113.1	F59	D57-F59 PolarHBondContact O-N 2.91Å
58	R	66.7	Low	64.3	Low	52 Å²	52	83.2 Å²	83.2	20%	0.196	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-0.5	170.3	-59	176.1	-65.6	178.4	-4.5	112.5	D56 Y73 I74 D76	D56-R58 PolarHBondContact O-N 2.99Å; D56-R58 VanDerWaalsContact O-N 3.09Å; D56-R58 VanDerWaalsContact OD1-CB 3.24Å; D56-R58 WeakPolarHBondContact OD1-CB 3.24Å; D56-R58 WeakPolarHBondContact OD1-CG 3.42Å; D56-R58 IonicContact OD1-CZ 2.67Å; D56-R58 PolarHBondContact OD1-N 3.29Å; D56-R58 IonicContact OD1-NE 3.87Å; D56-R58 PolarHBondContact OD1-NE 2.89Å; D56-R58 IonicContact OD1-NH2 2.67Å; D56-R58 IonicContact OD2-CZ 3.09Å; D56-R58 IonicContact OD2-NE 3.37Å; D56-R58 PolarHBondContact OD2-NE 2.75Å; D56-R58 IonicContact OD2-NH2 2.81Å; D56-R58 PolarHBondContact OD2-NH2 3.25Å; R58-Y73 HydrophobicContact CB-CD2 4.06Å; R58-Y73 HydrophobicContact CB-CE2 3.63Å; R58-Y73 CarbonylContact O-C 3.5Å; R58-Y73 VanDerWaalsContact O-CA 3.29Å; R58-Y73 WeakPolarHBondContact O-CA 3.27Å; R58-Y73 WeakPolarHBondContact O-CD2 3.31Å; R58-I74 VanDerWaalsContact CA-O 3.32Å; R58-I74 WeakPolarHBondContact CA-O 3.35Å; R58-I74 WeakPolarHBondContact CB-O 3.24Å; R58-I74 PolarHBondContact O-N 2.93Å; R58-D76 WeakPolarHBondContact CD-OD2 3.17Å
59	F	69.3	Low	64.6	Low	8 Å²	8	79.3 Å²	79.3	4%	0.035	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.7	178.9	-63.3	-95.2	0	0	0	111.3	I28 C30 I38 A40 V54 D56 D57 V61 V71 K72 Y73	I28-F59 HydrophobicContact CG2-CD1 4.44Å; I28-F59 HydrophobicContact CG2-CE1 4.2Å; C30-F59 HydrophobicContact CB-CE1 4.33Å; C30-F59 WeakPolarHBondContact SG-CZ 3.38Å; I38-F59 HydrophobicContact CB-CE2 4.48Å; I38-F59 HydrophobicContact CB-CZ 4.1Å; I38-F59 HydrophobicContact CG2-CE2 3.42Å; I38-F59 VanDerWaalsContact CG2-CE2 3.42Å; I38-F59 HydrophobicContact CG2-CZ 3.51Å; A40-F59 HydrophobicContact CB-CB 4.47Å; A40-F59 HydrophobicContact CB-CD2 3.68Å; A40-F59 HydrophobicContact CB-CE2 3.9Å; A40-F59 HydrophobicContact CB-CG 4Å; A40-F59 HydrophobicContact CB-CZ 4.4Å; V54-F59 HydrophobicContact CG1-CB 3.73Å; D56-F59 HydrophobicContact CB-CD2 3.82Å; D56-F59 HydrophobicContact CB-CE2 4.17Å; D56-F59 PolarHBondContact O-N 3.03Å; D57-F59 PolarHBondContact O-N 2.91Å; F59-V61 HydrophobicContact CB-CG2 4.43Å; F59-V71 HydrophobicContact CD1-CG1 3.9Å; F59-K72 CarbonylContact C-O 3.51Å; F59-K72 WeakPolarHBondContact CA-O 3.38Å; F59-Y73 HydrophobicContact CD1-CD2 4.02Å; F59-Y73 HydrophobicContact CD2-CD2 4.36Å; F59-Y73 AromaticContact CE1-CD2 3.69Å; F59-Y73 HydrophobicContact CE1-CD2 3.69Å; F59-Y73 HydrophobicContact CE1-CE2 4.42Å; F59-Y73 HydrophobicContact CE2-CD2 4.07Å; F59-Y73 HydrophobicContact CE2-CE2 4.14Å; F59-Y73 HydrophobicContact CG-CD2 4.35Å; F59-Y73 AromaticContact CZ-CD2 3.74Å; F59-Y73 HydrophobicContact CZ-CD2 3.74Å; F59-Y73 HydrophobicContact CZ-CE2 4Å
60	D	68.1	Low	65	Low	64 Å²	64	78 Å²	78	34%	0.342	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.8	165.2	169.5	35.5	0	0	0	108.7	K72 I74	D60-K72 HydrophobicContact CB-CB 4.08Å; D60-K72 PolarHBondContact N-O 2.95Å; D60-K72 PolarHBondContact O-N 2.76Å; D60-K72 WeakPolarHBondContact OD2-CD 3.4Å; D60-K72 IonicContact OD2-NZ 2.67Å; D60-K72 PolarHBondContact OD2-NZ 3.02Å; D60-I74 HydrophobicContact CB-CD1 4.06Å
61	V	70.6	Confident	65.4	Low	8 Å²	8	72.9 Å²	72.9	5%	0.048	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.6	-176.9	-178.8	0	0	0	0	109.9	I28 V42 A52 V54 F59 L69 L70 V71	I28-V61 HydrophobicContact CD1-CG2 3.61Å; V42-V61 HydrophobicContact CG1-CG1 4.24Å; V42-V61 HydrophobicContact CG2-CB 4.27Å; V42-V61 HydrophobicContact CG2-CG1 4.12Å; V42-V61 HydrophobicContact CG2-CG2 3.86Å; A52-V61 HydrophobicContact CB-CB 4.1Å; A52-V61 HydrophobicContact CB-CG1 4.01Å; V54-V61 HydrophobicContact CG1-CG2 4.3Å; V54-V61 HydrophobicContact CG2-CB 3.73Å; V54-V61 HydrophobicContact CG2-CG2 3.59Å; F59-V61 HydrophobicContact CB-CG2 4.43Å; V61-L69 HydrophobicContact CG1-CD2 3.78Å; V61-L70 WeakPolarHBondContact CA-O 3.33Å; V61-V71 HydrophobicContact CG1-CG2 4.12Å; V61-V71 HydrophobicContact CG2-CB 4.43Å; V61-V71 HydrophobicContact CG2-CG1 4.12Å; V61-V71 HydrophobicContact CG2-CG2 4Å
62	S	67.7	Low	65.7	Low	34 Å²	34	68.7 Å²	68.7	24%	0.238	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.2	176.4	55.6	0	0	0	0	111.3	L70	S62-L70 PolarHBondContact N-O 2.84Å; S62-L70 PolarHBondContact O-N 3Å
63	F	66.5	Low	65.6	Low	38 Å²	38	68.7 Å²	68.7	17%	0.167	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	127.7	173.7	-69.7	-89.9	0	0	0	110.4	F26 A44 D49 A52 L69	F26-F63 HydrophobicContact CE2-CE1 4.4Å; F26-F63 HydrophobicContact CE2-CZ 4.2Å; F26-F63 HydrophobicContact CZ-CE1 4.43Å; A44-F63 HydrophobicContact CB-CE2 3.95Å; A44-F63 HydrophobicContact CB-CZ 3.71Å; D49-F63 WeakPolarHBondContact O-CD2 3.08Å; A52-F63 HydrophobicContact CB-CE2 4.03Å; F63-L69 HydrophobicContact CD1-CD2 3.45Å; F63-L69 VanDerWaalsContact CD1-CD2 3.45Å; F63-L69 HydrophobicContact CD1-CG 4.28Å; F63-L69 HydrophobicContact CD2-CD2 4.21Å; F63-L69 HydrophobicContact CE1-CD2 3.33Å; F63-L69 HydrophobicContact CE1-CG 4.17Å; F63-L69 HydrophobicContact CE2-CD2 4.1Å; F63-L69 HydrophobicContact CG-CD2 3.91Å; F63-L69 HydrophobicContact CZ-CD2 3.66Å
64	K	62.5	Low	65.4	Low	144 Å²	144	66.5 Å²	66.5	63%	0.626	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	-30.6	169.6	-75.6	-71.8	-178.9	-172.4	0	111.8	S68 L70	K64-S68 VanDerWaalsContact CB-OG 3.31Å; K64-S68 WeakPolarHBondContact CB-OG 3.44Å; K64-S68 PolarHBondContact N-O 3.29Å; K64-L70 HydrophobicContact CD-CB 4.41Å; K64-L70 HydrophobicContact CG-CB 3.73Å
65	S	59.9	Low	64.7	Low	60 Å²	60	66.7 Å²	66.7	42%	0.42	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	175.6	172.9	73.8	0	0	0	0	109.9	R67 S68	S65-R67 PolarHBondContact O-N 3.18Å; S65-R67 PolarHBondContact OG-N 2.93Å; S65-S68 PolarHBondContact N-O 2.88Å; S65-S68 PolarHBondContact N-OG 3.04Å; S65-S68 PolarHBondContact O-N 2.9Å; S65-S68 VanDerWaalsContact O-O 3.13Å; S65-S68 PolarHBondContact OG-N 2.94Å; S65-S68 PolarHBondContact OG-OG 3.46Å
66	H	57.3	Low	64	Low	129 Å²	129	69.3 Å²	69.3	60%	0.597	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-14.5	174.2	-58.6	-72.9	0	0	0	115.1	D48	D48-H66 IonicContact OD1-CE1 2.64Å; D48-H66 PolarHBondContact OD1-CE1 3.03Å; D48-H66 VanDerWaalsContact OD1-CE1 3.22Å; D48-H66 IonicContact OD1-ND1 3.18Å
67	R	60.2	Low	63.2	Low	242 Å²	242	74.9 Å²	74.9	91%	0.913	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	9	-179.3	-62.9	-172.7	-179.3	-172.5	-0.2	113.6	S65	S65-R67 PolarHBondContact O-N 3.18Å; S65-R67 PolarHBondContact OG-N 2.93Å
68	S	60.4	Low	62.2	Low	46 Å²	46	73.5 Å²	73.5	32%	0.322	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	128.2	-177.7	61.1	0	0	0	0	112.4	K64 S65	K64-S68 VanDerWaalsContact CB-OG 3.31Å; K64-S68 WeakPolarHBondContact CB-OG 3.44Å; K64-S68 PolarHBondContact N-O 3.29Å; S65-S68 PolarHBondContact N-O 2.88Å; S65-S68 PolarHBondContact N-OG 3.04Å; S65-S68 PolarHBondContact O-N 2.9Å; S65-S68 VanDerWaalsContact O-O 3.13Å; S65-S68 PolarHBondContact OG-N 2.94Å; S65-S68 PolarHBondContact OG-OG 3.46Å
69	L	63.2	Low	61	Low	39 Å²	39	73.8 Å²	73.8	20%	0.204	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.2	171.7	-69.3	161.3	0	0	0	108.2	F26 V61 F63 V71	F26-L69 HydrophobicContact CB-CD1 4.38Å; F26-L69 HydrophobicContact CD1-CD1 3.93Å; F26-L69 HydrophobicContact CD2-CD1 4.4Å; F26-L69 HydrophobicContact CE1-CD1 4.3Å; F26-L69 HydrophobicContact CG-CD1 3.98Å; V61-L69 HydrophobicContact CG1-CD2 3.78Å; F63-L69 HydrophobicContact CD1-CD2 3.45Å; F63-L69 VanDerWaalsContact CD1-CD2 3.45Å; F63-L69 HydrophobicContact CD1-CG 4.28Å; F63-L69 HydrophobicContact CD2-CD2 4.21Å; F63-L69 HydrophobicContact CE1-CD2 3.33Å; F63-L69 HydrophobicContact CE1-CG 4.17Å; F63-L69 HydrophobicContact CE2-CD2 4.1Å; F63-L69 HydrophobicContact CG-CD2 3.91Å; F63-L69 HydrophobicContact CZ-CD2 3.66Å; L69-V71 HydrophobicContact CB-CG2 4.3Å
70	L	62.5	Low	59.5	Low	41 Å²	41	79.5 Å²	79.5	22%	0.215	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	113.9	159.9	179.9	75.1	0	0	0	107.3	L9 V61 S62 K64	L9-L70 HydrophobicContact CD2-CD1 3.68Å; L9-L70 HydrophobicContact CD2-CG 4.5Å; V61-L70 WeakPolarHBondContact CA-O 3.33Å; S62-L70 PolarHBondContact N-O 2.84Å; S62-L70 PolarHBondContact O-N 3Å; K64-L70 HydrophobicContact CD-CB 4.41Å; K64-L70 HydrophobicContact CG-CB 3.73Å
71	V	64.5	Low	58.1	Low	5 Å²	5	79.3 Å²	79.3	3%	0.03	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.3	173.8	178.4	0	0	0	0	107.8	A11 I28 F59 V61 L69	A11-V71 HydrophobicContact CB-CB 3.74Å; A11-V71 HydrophobicContact CB-CG1 4.24Å; A11-V71 HydrophobicContact CB-CG2 3.31Å; I28-V71 HydrophobicContact CD1-CB 4.34Å; I28-V71 HydrophobicContact CD1-CG1 3.92Å; I28-V71 HydrophobicContact CD1-CG2 3.48Å; I28-V71 VanDerWaalsContact CD1-CG2 3.48Å; I28-V71 HydrophobicContact CG1-CG2 4.2Å; I28-V71 HydrophobicContact CG2-CG1 4.1Å; F59-V71 HydrophobicContact CD1-CG1 3.9Å; V61-V71 HydrophobicContact CG1-CG2 4.12Å; V61-V71 HydrophobicContact CG2-CB 4.43Å; V61-V71 HydrophobicContact CG2-CG1 4.12Å; V61-V71 HydrophobicContact CG2-CG2 4Å; L69-V71 HydrophobicContact CB-CG2 4.3Å
72	K	61.3	Low	56.7	Low	73 Å²	73	82.8 Å²	82.8	32%	0.317	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.1	172	-65.7	-174	-157.4	145.1	0	108.6	T7 L8 L9 F59 D60	T7-K72 HydrophobicContact CG2-CB 3.57Å; T7-K72 HydrophobicContact CG2-CD 3.99Å; T7-K72 HydrophobicContact CG2-CG 3.68Å; L8-K72 WeakPolarHBondContact O-CA 3.4Å; L9-K72 HydrophobicContact CD2-CG 4.3Å; F59-K72 CarbonylContact C-O 3.51Å; F59-K72 WeakPolarHBondContact CA-O 3.38Å; D60-K72 HydrophobicContact CB-CB 4.08Å; D60-K72 PolarHBondContact N-O 2.95Å; D60-K72 PolarHBondContact O-N 2.76Å; D60-K72 WeakPolarHBondContact OD2-CD 3.4Å; D60-K72 IonicContact OD2-NZ 2.67Å; D60-K72 PolarHBondContact OD2-NZ 3.02Å
73	Y	65.3	Low	55.8	Low	20 Å²	20	83.7 Å²	83.7	8%	0.078	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.2	168.5	-177	-116.4	0	0	0	110	L8 I38 R58 F59 P75	L8-Y73 HydrophobicContact CB-CD1 4.36Å; L8-Y73 HydrophobicContact CB-CG 4.28Å; L8-Y73 PolarHBondContact O-N 3.26Å; L8-Y73 VanDerWaalsContact O-N 3.16Å; I38-Y73 HydrophobicContact CD1-CE2 3.93Å; I38-Y73 WeakPolarHBondContact CD1-OH 3.38Å; R58-Y73 HydrophobicContact CB-CD2 4.06Å; R58-Y73 HydrophobicContact CB-CE2 3.63Å; R58-Y73 CarbonylContact O-C 3.5Å; R58-Y73 VanDerWaalsContact O-CA 3.29Å; R58-Y73 WeakPolarHBondContact O-CA 3.27Å; R58-Y73 WeakPolarHBondContact O-CD2 3.31Å; F59-Y73 HydrophobicContact CD1-CD2 4.02Å; F59-Y73 HydrophobicContact CD2-CD2 4.36Å; F59-Y73 AromaticContact CE1-CD2 3.69Å; F59-Y73 HydrophobicContact CE1-CD2 3.69Å; F59-Y73 HydrophobicContact CE1-CE2 4.42Å; F59-Y73 HydrophobicContact CE2-CD2 4.07Å; F59-Y73 HydrophobicContact CE2-CE2 4.14Å; F59-Y73 HydrophobicContact CG-CD2 4.35Å; F59-Y73 AromaticContact CZ-CD2 3.74Å; F59-Y73 HydrophobicContact CZ-CD2 3.74Å; F59-Y73 HydrophobicContact CZ-CE2 4Å; Y73-P75 HydrophobicContact CD1-CB 4.17Å; Y73-P75 HydrophobicContact CE1-CB 3.64Å
74	I	63.9	Low	55	Low	94 Å²	94	82 Å²	82	48%	0.482	42%	0.421	S	S	.	.			trans	-108.6	99.7	174.3	-53.6	171.7	0	0	0	106	R58 D60	R58-I74 VanDerWaalsContact CA-O 3.32Å; R58-I74 WeakPolarHBondContact CA-O 3.35Å; R58-I74 WeakPolarHBondContact CB-O 3.24Å; R58-I74 PolarHBondContact O-N 2.93Å; D60-I74 HydrophobicContact CB-CD1 4.06Å
75	P	57.4	Low	54.5	Low	40 Å²	40	78 Å²	78	26%	0.26	41%	0.408	S	S	.	.			trans	-74.3	144.2	-177.7	31.1	-35.4	0	0	0	111.8	Y73 E77	Y73-P75 HydrophobicContact CD1-CB 4.17Å; Y73-P75 HydrophobicContact CE1-CB 3.64Å; P75-E77 VanDerWaalsContact C-N 3.27Å; P75-E77 WeakPolarHBondContact CB-O 3.44Å; P75-E77 PolarHBondContact O-N 2.84Å
76	D	59	Low	54.8	Low	135 Å²	135	77.1 Å²	77.1	72%	0.722	40%	0.404	S	S	*	.	S	Bend	trans	-64.2	-32.9	173.6	-64.5	-36.2	0	0	0	112.4	R58	R58-D76 WeakPolarHBondContact CD-OD2 3.17Å
77	E	51.2	Low	55.8	Low	146 Å²	146	76.9 Å²	76.9	68%	0.682	40%	0.401	S	S	*	.	S	Bend	trans	-125.3	132.5	173	-72.2	-176.6	162.5	0	0	108.7	P75 S79	P75-E77 VanDerWaalsContact C-N 3.27Å; P75-E77 WeakPolarHBondContact CB-O 3.44Å; P75-E77 PolarHBondContact O-N 2.84Å; E77-S79 PolarHBondContact O-N 2.74Å
78	V	48	Very low	56.9	Low	125 Å²	125	67.7 Å²	67.7	76%	0.758	38%	0.377	S	S	*	.			trans	-66.1	88.1	170.3	-173.3	0	0	0	0	107.9	T80	V78-T80 PolarHBondContact O-N 3.18Å; V78-T80 VanDerWaalsContact O-N 3.11Å
79	S	42	Very low	58.2	Low	58 Å²	58	66.6 Å²	66.6	41%	0.406	37%	0.366	S	S	.	.			trans	-60.3	115.1	170.5	-159.4	0	0	0	0	107.3	E77 T81	E77-S79 PolarHBondContact O-N 2.74Å; S79-T81 PolarHBondContact O-N 3.04Å; S79-T81 PolarHBondContact OG-OG1 2.75Å
80	T	37.4	Very low	59.4	Low	129 Å²	129	68.5 Å²	68.5	79%	0.791	37%	0.373	S	S	*	.			trans	-70.4	-5.5	176.3	51.4	0	0	0	0	112.7	V78 F82	V78-T80 PolarHBondContact O-N 3.18Å; V78-T80 VanDerWaalsContact O-N 3.11Å; T80-F82 PolarHBondContact O-N 2.83Å
81	T	40.1	Very low	60.6	Low	59 Å²	59	66.6 Å²	66.6	36%	0.362	36%	0.363	S	S	.	.			trans	-65.8	83.7	169.7	7.2	0	0	0	0	109.9	S79 I83 Q334	S79-T81 PolarHBondContact O-N 3.04Å; S79-T81 PolarHBondContact OG-OG1 2.75Å; T81-I83 PolarHBondContact O-N 3.49Å; T81-I83 VanDerWaalsContact O-N 3.15Å; T81-Q334 HydrophobicContact CG2-CB 4.17Å
82	F	40.3	Very low	61.7	Low	82 Å²	82	69.6 Å²	69.6	36%	0.36	39%	0.388	S	S	.	.			trans	-56.2	115.5	167.7	-161.9	-106.9	0	0	0	107.9	T80 P84	T80-F82 PolarHBondContact O-N 2.83Å; F82-P84 HydrophobicContact CD1-CB 3.85Å; F82-P84 HydrophobicContact CD1-CG 3.98Å; F82-P84 HydrophobicContact CE1-CB 3.68Å; F82-P84 HydrophobicContact CE1-CG 4.3Å; F82-P84 WeakPolarHBondContact O-CD 3.07Å
83	I	48.8	Very low	62.8	Low	53 Å²	53	68.9 Å²	68.9	27%	0.272	40%	0.402	S	S	.	.			trans	-92.1	96	160.9	-53.7	177.5	0	0	0	104.9	T81 V85	T81-I83 PolarHBondContact O-N 3.49Å; T81-I83 VanDerWaalsContact O-N 3.15Å; I83-V85 PolarHBondContact O-N 3.38Å
84	P	50.5	Low	63.8	Low	3 Å²	3	69.9 Å²	69.9	2%	0.019	41%	0.41	C	S	.	.			trans	-56.3	141.1	-179.7	4.4	-9.2	0	0	0	110	F82 A86 L335 Y366 V368	F82-P84 HydrophobicContact CD1-CB 3.85Å; F82-P84 HydrophobicContact CD1-CG 3.98Å; F82-P84 HydrophobicContact CE1-CB 3.68Å; F82-P84 HydrophobicContact CE1-CG 4.3Å; F82-P84 WeakPolarHBondContact O-CD 3.07Å; P84-A86 PolarHBondContact O-N 3.07Å; P84-L335 HydrophobicContact CG-CD2 3.3Å; P84-Y366 HydrophobicContact CB-CD1 3.91Å; P84-Y366 HydrophobicContact CB-CG 4.39Å; P84-Y366 HydrophobicContact CG-CD1 3.65Å; P84-Y366 HydrophobicContact CG-CG 4.12Å; P84-V368 HydrophobicContact CG-CG2 4.41Å
85	V	50.7	Low	65	Low	60 Å²	60	67.4 Å²	67.4	36%	0.364	40%	0.398	S	S	.	.			trans	-60.2	105.1	172.2	178.1	0	0	0	0	108.1	M1 V2 I83	M1-V85 HydrophobicContact CB-CG1 4.14Å; M1-V85 HydrophobicContact CB-CG2 3.97Å; M1-V85 HydrophobicContact CE-CG1 4Å; M1-V85 HydrophobicContact CG-CG1 3.96Å; V2-V85 WeakPolarHBondContact O-CG2 3.46Å; I83-V85 PolarHBondContact O-N 3.38Å
86	A	66.2	Low	66.4	Low	40 Å²	40	66 Å²	66	33%	0.331	39%	0.388	S	S	.	.			trans	-80.2	120	177.1	0	0	0	0	0	110.1	P84 R364 V365 Y366	P84-A86 PolarHBondContact O-N 3.07Å; A86-R364 HydrophobicContact CB-CB 4.22Å; A86-R364 HydrophobicContact CB-CG 4.3Å; A86-V365 VanDerWaalsContact CA-O 3.26Å; A86-V365 WeakPolarHBondContact CA-O 2.99Å; A86-Y366 HydrophobicContact CB-CD1 3.88Å; A86-Y366 HydrophobicContact CB-CE1 3.53Å
87	K	78	Confident	67.8	Low	125 Å²	125	60.3 Å²	60.3	54%	0.543	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	129	158.6	-175.6	-178.2	177.7	-168.4	0	107.6	R364 V365	K87-R364 CarbonylContact O-C 3.59Å; K87-R364 WeakPolarHBondContact O-CA 3.43Å; K87-V365 HydrophobicContact CB-CB 4.43Å; K87-V365 PolarHBondContact N-O 2.94Å; K87-V365 PolarHBondContact O-N 2.92Å
88	A	84.9	Confident	69.6	Low	48 Å²	48	59.2 Å²	59.2	40%	0.397	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	147.6	174.3	0	0	0	0	0	111.1	L362 I363 R364	A88-L362 HydrophobicContact CB-CB 4.46Å; A88-L362 HydrophobicContact CB-CD1 4.11Å; A88-I363 CarbonylContact C-O 3.57Å; A88-I363 VanDerWaalsContact CA-O 3.3Å; A88-I363 WeakPolarHBondContact CA-O 3.37Å; A88-R364 HydrophobicContact CB-CG 4.09Å
89	F	86	Confident	71.9	Confident	23 Å²	23	54 Å²	54	10%	0.101	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	164.9	172.2	73.2	-78.4	0	0	0	111.7	P91 W120 N125 F355 I363 V365	F89-P91 HydrophobicContact CD2-CG 4.19Å; F89-P91 HydrophobicContact CE2-CB 4.42Å; F89-P91 HydrophobicContact CE2-CG 3.71Å; F89-W120 HydrophobicContact CE1-CZ3 4.48Å; F89-W120 HydrophobicContact CE2-CD2 4.12Å; F89-W120 HydrophobicContact CE2-CE3 4.08Å; F89-W120 HydrophobicContact CE2-CG 4.46Å; F89-W120 AromaticContact CZ-CD2 3.99Å; F89-W120 HydrophobicContact CZ-CD2 3.99Å; F89-W120 AromaticContact CZ-CE3 3.65Å; F89-W120 HydrophobicContact CZ-CE3 3.65Å; F89-W120 HydrophobicContact CZ-CH2 4.01Å; F89-W120 HydrophobicContact CZ-CZ2 4.31Å; F89-W120 AromaticContact CZ-CZ3 3.66Å; F89-W120 HydrophobicContact CZ-CZ3 3.66Å; F89-N125 HydrophobicContact CB-CB 4.33Å; F89-N125 HydrophobicContact CD1-CB 3.86Å; F89-N125 WeakPolarHBondContact CD1-ND2 3.36Å; F89-N125 HydrophobicContact CD2-CB 3.6Å; F89-N125 HydrophobicContact CE1-CB 3.97Å; F89-N125 HydrophobicContact CE2-CB 3.69Å; F89-N125 HydrophobicContact CG-CB 3.67Å; F89-N125 HydrophobicContact CZ-CB 3.89Å; F89-F355 HydrophobicContact CE1-CD1 4.22Å; F89-F355 HydrophobicContact CE1-CE1 4.28Å; F89-I363 HydrophobicContact CD1-CB 4.1Å; F89-I363 HydrophobicContact CD1-CG2 4.27Å; F89-I363 WeakPolarHBondContact CD1-O 3.26Å; F89-I363 HydrophobicContact CE1-CB 3.68Å; F89-I363 HydrophobicContact CE1-CG2 3.44Å; F89-I363 VanDerWaalsContact CE1-CG2 3.44Å; F89-I363 HydrophobicContact CE2-CB 4.42Å; F89-I363 HydrophobicContact CE2-CD1 4.35Å; F89-I363 HydrophobicContact CZ-CB 3.86Å; F89-I363 HydrophobicContact CZ-CD1 4.13Å; F89-I363 HydrophobicContact CZ-CG2 3.7Å; F89-I363 PolarHBondContact N-O 2.83Å; F89-I363 PolarHBondContact O-N 3Å; F89-V365 HydrophobicContact CD1-CG2 4Å; F89-V365 HydrophobicContact CE1-CG2 3.7Å
90	K	90.3	Very high	74.5	Confident	80 Å²	80	51.6 Å²	51.6	35%	0.348	30%	0.303	S	S	.	.			trans	-119.1	112.2	171.5	-70.7	-172.2	-174.7	-172.7	0	107.9	A92 G93 V94 D95 L362	K90-A92 PolarHBondContact O-N 3.32Å; K90-G93 PolarHBondContact O-N 2.89Å; K90-V94 WeakPolarHBondContact CB-O 3.41Å; K90-D95 WeakPolarHBondContact CE-OD1 3.5Å; K90-D95 IonicContact NZ-OD1 2.69Å; K90-D95 PolarHBondContact NZ-OD1 2.71Å; K90-L362 HydrophobicContact CD-CD2 4.14Å; K90-L362 HydrophobicContact CG-CD2 3.63Å
91	P	86.3	Confident	77.3	Confident	1 Å²	1	46 Å²	46	1%	0.006	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-55.7	130.8	173	-14.4	23.5	0	0	0	109.1	F89 G93 V94 L118 W120 C127 I363	F89-P91 HydrophobicContact CD2-CG 4.19Å; F89-P91 HydrophobicContact CE2-CB 4.42Å; F89-P91 HydrophobicContact CE2-CG 3.71Å; P91-G93 PolarHBondContact O-N 3.17Å; P91-V94 VanDerWaalsContact O-CG2 3.31Å; P91-V94 WeakPolarHBondContact O-CG2 3.38Å; P91-V94 PolarHBondContact O-N 3.18Å; P91-L118 HydrophobicContact CB-CB 4.13Å; P91-L118 HydrophobicContact CB-CD1 3.77Å; P91-L118 HydrophobicContact CG-CD1 4.4Å; P91-L118 WeakPolarHBondContact O-CD1 3.19Å; P91-W120 HydrophobicContact CB-CB 4.31Å; P91-W120 HydrophobicContact CB-CG 4.18Å; P91-W120 HydrophobicContact CG-CG 4.13Å; P91-C127 HydrophobicContact CB-CB 4.42Å; P91-I363 HydrophobicContact CG-CD1 3.54Å; P91-I363 HydrophobicContact CG-CG1 4.45Å
92	A	88	Confident	80	Confident	67 Å²	67	43.7 Å²	43.7	55%	0.554	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	55.1	18.4	-174.6	0	0	0	0	0	115.5	K90 V94 C127	K90-A92 PolarHBondContact O-N 3.32Å; A92-V94 HydrophobicContact CB-CG2 4.47Å; A92-V94 PolarHBondContact O-N 3.13Å; A92-C127 HydrophobicContact CB-CB 3.89Å
93	G	85.2	Confident	82.6	Confident	59 Å²	59	40.4 Å²	40.4	61%	0.608	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	72.1	8.1	-178.8	0	0	0	0	0	115	K90 P91	K90-G93 PolarHBondContact O-N 2.89Å; P91-G93 PolarHBondContact O-N 3.17Å
94	V	86.2	Confident	84.6	Confident	41 Å²	41	45.2 Å²	45.2	25%	0.248	26%	0.26	C	S	.	.	S	Bend	trans	-103.7	154	-179.6	-62.2	0	0	0	0	112.1	K90 P91 A92 C96 D112 L118	K90-V94 WeakPolarHBondContact CB-O 3.41Å; P91-V94 VanDerWaalsContact O-CG2 3.31Å; P91-V94 WeakPolarHBondContact O-CG2 3.38Å; P91-V94 PolarHBondContact O-N 3.18Å; A92-V94 HydrophobicContact CB-CG2 4.47Å; A92-V94 PolarHBondContact O-N 3.13Å; V94-C96 PolarHBondContact O-N 3.47Å; V94-D112 HydrophobicContact CB-CB 4.5Å; V94-D112 HydrophobicContact CG2-CB 3.74Å; V94-L118 HydrophobicContact CG2-CD1 3.42Å; V94-L118 VanDerWaalsContact CG2-CD1 3.42Å
95	D	88.8	Confident	86.5	Confident	42 Å²	42	49.8 Å²	49.8	23%	0.225	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-65	127.3	179.4	-53.3	-40.6	0	0	0	110.3	K90 D112 K113	K90-D95 WeakPolarHBondContact CE-OD1 3.5Å; K90-D95 IonicContact NZ-OD1 2.69Å; K90-D95 PolarHBondContact NZ-OD1 2.71Å; D95-D112 WeakPolarHBondContact O-CA 3.46Å; D95-K113 HydrophobicContact CB-CD 4.23Å; D95-K113 PolarHBondContact O-N 3.37Å; D95-K113 IonicContact OD2-NZ 3.84Å; D95-K113 PolarHBondContact OD2-NZ 2.82Å
96	C	86.5	Confident	88.5	Confident	9 Å²	9	47.2 Å²	47.2	6%	0.061	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	144.8	169.9	178.6	0	0	0	0	110.1	V94 C111 C357 G361 I363	V94-C96 PolarHBondContact O-N 3.47Å; C96-C111 CarbonylContact C-O 3.53Å; C96-C111 WeakPolarHBondContact CA-O 3.45Å; C96-C357 HydrophobicContact CB-CB 4.45Å; C96-C357 WeakPolarHBondContact CB-SG 3.31Å; C96-C357 WeakPolarHBondContact SG-CB 3.38Å; C96-C357 CovalentContact SG-SG 2.07Å; C96-C357 PolarHBondContact SG-SG 2.98Å; C96-G361 PolarHBondContact N-O 3.32Å; C96-I363 HydrophobicContact CB-CG1 4.03Å
97	G	87.7	Confident	90	Very high	16 Å²	16	46.4 Å²	46.4	17%	0.165	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-130.6	169.8	0	0	0	0	0	111.8	C111 C357	G97-C111 VanDerWaalsContact CA-SG 3.54Å; G97-C111 PolarHBondContact N-O 2.78Å; G97-C357 PolarHBondContact O-SG 3.25Å
98	R	90.5	Very high	90.9	Very high	124 Å²	124	40.4 Å²	40.4	47%	0.468	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-20.9	-173.2	-61.8	-174.8	179.1	-123.3	0.2	114.3	C111 Y344 S345	R98-C111 PolarHBondContact N-SG 3.25Å; R98-C111 VanDerWaalsContact N-SG 3.38Å; R98-Y344 HydrophobicContact CB-CD2 3.99Å; R98-Y344 HydrophobicContact CB-CG 3.98Å; R98-Y344 HydrophobicContact CG-CD1 4.39Å; R98-Y344 HydrophobicContact CG-CD2 3.75Å; R98-Y344 HydrophobicContact CG-CE2 3.83Å; R98-Y344 HydrophobicContact CG-CG 4.03Å; R98-Y344 WeakPolarHBondContact O-CB 3.5Å; R98-S345 WeakPolarHBondContact O-CB 3.34Å; R98-S345 PolarHBondContact O-OG 2.89Å
99	V	95.3	Very high	91.5	Very high	15 Å²	15	38.1 Å²	38.1	9%	0.091	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.3	-171.8	63.6	0	0	0	0	111.5	S110 C111 V138 L141 S345	V99-S110 WeakPolarHBondContact O-CA 3.44Å; V99-C111 PolarHBondContact O-N 3.16Å; V99-V138 HydrophobicContact CG1-CG1 4.12Å; V99-V138 WeakPolarHBondContact CG1-O 3.23Å; V99-L141 HydrophobicContact CG1-CD1 3.8Å; V99-L141 HydrophobicContact CG1-CG 3.79Å; V99-L141 HydrophobicContact CG2-CB 4.12Å; V99-L141 HydrophobicContact CG2-CD1 4.46Å; V99-L141 HydrophobicContact CG2-CG 4.25Å; V99-S345 VanDerWaalsContact CA-OG 3.29Å; V99-S345 WeakPolarHBondContact CA-OG 3.43Å
100	L	96.4	Very high	92	Very high	8 Å²	8	37 Å²	37	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	156.8	165.7	73.8	78.1	0	0	0	110.2	I102 V109 S345 F355 C357 I363	L100-I102 HydrophobicContact CD1-CG1 4.3Å; L100-V109 CarbonylContact C-O 3.6Å; L100-V109 WeakPolarHBondContact CA-O 3.39Å; L100-V109 VanDerWaalsContact CB-O 3.3Å; L100-V109 WeakPolarHBondContact CB-O 3.41Å; L100-S345 PolarHBondContact N-OG 2.73Å; L100-F355 HydrophobicContact CD2-CB 4.38Å; L100-C357 HydrophobicContact CD2-CB 3.82Å; L100-I363 HydrophobicContact CD2-CG2 4.45Å
101	D	96.8	Very high	92.3	Very high	11 Å²	11	33.4 Å²	33.4	6%	0.059	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.9	165.3	-164.9	25.4	0	0	0	109.5	G108 V109 L141 K142 F143 K305	D101-G108 CarbonylContact O-C 3.54Å; D101-G108 WeakPolarHBondContact O-CA 3.34Å; D101-V109 HydrophobicContact CB-CG2 3.96Å; D101-V109 PolarHBondContact N-O 2.81Å; D101-V109 PolarHBondContact O-N 3.33Å; D101-L141 HydrophobicContact CB-CB 4.32Å; D101-K142 WeakPolarHBondContact OD2-CA 3.32Å; D101-F143 HydrophobicContact CB-CD2 4.23Å; D101-F143 PolarHBondContact OD2-N 2.67Å; D101-K305 IonicContact OD1-NZ 3.22Å; D101-K305 PolarHBondContact OD1-NZ 2.91Å
102	I	96.7	Very high	92.6	Very high	11 Å²	11	33.6 Å²	33.6	6%	0.056	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.6	179.4	-63.3	177.2	0	0	0	108.2	L100 I107 W120 T122 N349 F355	L100-I102 HydrophobicContact CD1-CG1 4.3Å; I102-I107 WeakPolarHBondContact CA-O 3.44Å; I102-W120 HydrophobicContact CD1-CH2 3.92Å; I102-W120 HydrophobicContact CG1-CH2 4.21Å; I102-T122 HydrophobicContact CD1-CG2 3.99Å; I102-T122 HydrophobicContact CG1-CG2 4.32Å; I102-T122 HydrophobicContact CG2-CG2 3.86Å; I102-N349 HydrophobicContact CG2-CB 3.98Å; I102-F355 HydrophobicContact CD1-CB 3.6Å; I102-F355 HydrophobicContact CD1-CD1 4.26Å; I102-F355 HydrophobicContact CD1-CD2 3.26Å; I102-F355 HydrophobicContact CD1-CE2 3.98Å; I102-F355 HydrophobicContact CD1-CG 3.45Å; I102-F355 VanDerWaalsContact CD1-CG 3.45Å
103	N	94.6	Very high	92.6	Very high	13 Å²	13	36.4 Å²	36.4	7%	0.07	19%	0.193	C	C	.	.			trans	-92.5	171.4	176.9	71.8	14.1	0	0	0	113.2	Q105 G106 I107 F143	N103-Q105 PolarHBondContact ND2-OE1 3.37Å; N103-Q105 VanDerWaalsContact ND2-OE1 3.15Å; N103-Q105 PolarHBondContact O-N 3.2Å; N103-Q105 VanDerWaalsContact O-N 3.09Å; N103-Q105 WeakPolarHBondContact OD1-CA 3.41Å; N103-Q105 PolarHBondContact OD1-N 2.95Å; N103-Q105 PolarHBondContact OD1-OE1 3.47Å; N103-G106 PolarHBondContact O-N 3.37Å; N103-G106 VanDerWaalsContact O-N 3.13Å; N103-G106 PolarHBondContact OD1-N 3.4Å; N103-I107 PolarHBondContact N-O 2.81Å; N103-I107 WeakPolarHBondContact OD1-CB 3.46Å; N103-I107 PolarHBondContact OD1-N 3.2Å; N103-I107 PolarHBondContact OD1-O 3.41Å; N103-F143 HydrophobicContact CB-CB 4Å; N103-F143 HydrophobicContact CB-CD1 4.04Å; N103-F143 HydrophobicContact CB-CD2 3.65Å; N103-F143 HydrophobicContact CB-CE1 4.34Å; N103-F143 HydrophobicContact CB-CE2 3.97Å; N103-F143 HydrophobicContact CB-CG 3.65Å; N103-F143 HydrophobicContact CB-CZ 4.29Å
104	E	90.3	Very high	92.9	Very high	153 Å²	153	38.4 Å²	38.4	72%	0.715	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	3.7	176.8	-62.6	-175	174.5	0	0	114.1	N350	E104-N350 VanDerWaalsContact CA-OD1 3.25Å; E104-N350 WeakPolarHBondContact CA-OD1 3.4Å; E104-N350 PolarHBondContact O-ND2 2.48Å; E104-N350 PolarHBondContact O-OD1 2.75Å
105	Q	91.5	Very high	93.3	Very high	99 Å²	99	37.6 Å²	37.6	46%	0.463	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	3.9	173.5	-64.7	78.6	22	0	0	111.5	N103 I107	N103-Q105 PolarHBondContact ND2-OE1 3.37Å; N103-Q105 VanDerWaalsContact ND2-OE1 3.15Å; N103-Q105 PolarHBondContact O-N 3.2Å; N103-Q105 VanDerWaalsContact O-N 3.09Å; N103-Q105 WeakPolarHBondContact OD1-CA 3.41Å; N103-Q105 PolarHBondContact OD1-N 2.95Å; N103-Q105 PolarHBondContact OD1-OE1 3.47Å; Q105-I107 VanDerWaalsContact C-N 3.33Å; Q105-I107 HydrophobicContact CB-CG1 4.39Å
106	G	93.3	Very high	93.7	Very high	6 Å²	6	35.8 Å²	35.8	6%	0.062	18%	0.175	C	C	.	.	S	Bend	trans	74.2	24.9	-176.9	0	0	0	0	0	113.1	N103 T122	N103-G106 PolarHBondContact O-N 3.37Å; N103-G106 VanDerWaalsContact O-N 3.13Å; N103-G106 PolarHBondContact OD1-N 3.4Å; G106-T122 VanDerWaalsContact CA-OG1 3.27Å; G106-T122 WeakPolarHBondContact CA-OG1 3.36Å; G106-T122 VanDerWaalsContact O-CB 3.29Å; G106-T122 WeakPolarHBondContact O-CB 3.4Å; G106-T122 WeakPolarHBondContact O-CG2 3.21Å; G106-T122 PolarHBondContact O-N 3.15Å; G106-T122 PolarHBondContact O-OG1 2.8Å
107	I	96	Very high	94.2	Very high	23 Å²	23	35.4 Å²	35.4	12%	0.118	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128.5	171.7	-53.2	-59.3	0	0	0	108.8	I102 N103 Q105 L119 K128 F143	I102-I107 WeakPolarHBondContact CA-O 3.44Å; N103-I107 PolarHBondContact N-O 2.81Å; N103-I107 WeakPolarHBondContact OD1-CB 3.46Å; N103-I107 PolarHBondContact OD1-N 3.2Å; N103-I107 PolarHBondContact OD1-O 3.41Å; Q105-I107 VanDerWaalsContact C-N 3.33Å; Q105-I107 HydrophobicContact CB-CG1 4.39Å; I107-L119 HydrophobicContact CG2-CD1 3.31Å; I107-L119 HydrophobicContact CG2-CD2 4.5Å; I107-L119 HydrophobicContact CG2-CG 3.83Å; I107-K128 VanDerWaalsContact CD1-NZ 3.3Å; I107-F143 HydrophobicContact CB-CZ 4.37Å; I107-F143 HydrophobicContact CG2-CZ 4.07Å; I107-F143 WeakPolarHBondContact O-CE2 3.47Å
108	G	96.9	Very high	94.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	147.9	173.8	0	0	0	0	0	111.9	D101 W120	D101-G108 CarbonylContact O-C 3.54Å; D101-G108 WeakPolarHBondContact O-CA 3.34Å; G108-W120 PolarHBondContact N-O 2.82Å; G108-W120 PolarHBondContact O-N 2.92Å
109	V	97.8	Very high	95	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.3	164.6	-70.7	0	0	0	0	109.6	L100 D101 I117 L118 L119 L141 F143 L150	L100-V109 CarbonylContact C-O 3.6Å; L100-V109 WeakPolarHBondContact CA-O 3.39Å; L100-V109 VanDerWaalsContact CB-O 3.3Å; L100-V109 WeakPolarHBondContact CB-O 3.41Å; D101-V109 HydrophobicContact CB-CG2 3.96Å; D101-V109 PolarHBondContact N-O 2.81Å; D101-V109 PolarHBondContact O-N 3.33Å; V109-I117 HydrophobicContact CB-CG2 4.16Å; V109-I117 HydrophobicContact CG1-CG2 4.35Å; V109-L118 VanDerWaalsContact CA-O 3.24Å; V109-L118 WeakPolarHBondContact CA-O 3.5Å; V109-L119 HydrophobicContact CG1-CD1 3.52Å; V109-L141 HydrophobicContact CB-CD1 4.24Å; V109-L141 HydrophobicContact CG2-CB 4.18Å; V109-L141 HydrophobicContact CG2-CD1 3.91Å; V109-F143 HydrophobicContact CB-CE2 4.3Å; V109-F143 HydrophobicContact CB-CZ 4.3Å; V109-F143 HydrophobicContact CG1-CE1 4.2Å; V109-F143 HydrophobicContact CG1-CE2 4Å; V109-F143 HydrophobicContact CG1-CZ 3.51Å; V109-F143 HydrophobicContact CG2-CD2 4.2Å; V109-F143 HydrophobicContact CG2-CE2 3.62Å; V109-F143 HydrophobicContact CG2-CZ 4.03Å; V109-L150 HydrophobicContact CB-CD2 4.36Å; V109-L150 HydrophobicContact CG1-CD1 4.32Å; V109-L150 HydrophobicContact CG1-CD2 3.9Å; V109-L150 HydrophobicContact CG2-CD1 3.8Å; V109-L150 HydrophobicContact CG2-CD2 4.45Å
110	S	97.2	Very high	95.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	158.7	170.4	57.8	0	0	0	0	109.6	V99 I117 L118 W120	V99-S110 WeakPolarHBondContact O-CA 3.44Å; S110-I117 CarbonylContact O-C 3.23Å; S110-I117 WeakPolarHBondContact O-CA 3.4Å; S110-L118 PolarHBondContact N-O 2.84Å; S110-L118 PolarHBondContact O-N 2.85Å; S110-W120 PolarHBondContact OG-NE1 3.44Å
111	C	95.6	Very high	95	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.027	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	158.2	167.7	54.5	0	0	0	0	111.7	C96 G97 R98 V99 A116 V138	C96-C111 CarbonylContact C-O 3.53Å; C96-C111 WeakPolarHBondContact CA-O 3.45Å; G97-C111 VanDerWaalsContact CA-SG 3.54Å; G97-C111 PolarHBondContact N-O 2.78Å; R98-C111 PolarHBondContact N-SG 3.25Å; R98-C111 VanDerWaalsContact N-SG 3.38Å; V99-C111 PolarHBondContact O-N 3.16Å; C111-A116 CarbonylContact C-O 3.59Å; C111-A116 WeakPolarHBondContact CA-O 3.4Å; C111-V138 HydrophobicContact CB-CB 3.87Å; C111-V138 HydrophobicContact CB-CG2 4.29Å
112	D	93.4	Very high	94.9	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	169.9	166	79.8	4.7	0	0	0	111.2	V94 D95 N114 N115 A116 L118	V94-D112 HydrophobicContact CB-CB 4.5Å; V94-D112 HydrophobicContact CG2-CB 3.74Å; D95-D112 WeakPolarHBondContact O-CA 3.46Å; D112-N114 PolarHBondContact O-N 2.95Å; D112-N114 VanDerWaalsContact O-N 3.11Å; D112-N114 VanDerWaalsContact OD1-CA 3.23Å; D112-N114 WeakPolarHBondContact OD1-CA 3.43Å; D112-N114 WeakPolarHBondContact OD1-CB 3.46Å; D112-N114 PolarHBondContact OD1-N 3.11Å; D112-N115 PolarHBondContact O-N 2.97Å; D112-N115 PolarHBondContact OD1-N 3.43Å; D112-A116 PolarHBondContact N-O 2.78Å; D112-A116 PolarHBondContact OD1-N 2.98Å; D112-L118 HydrophobicContact CB-CD1 3.98Å; D112-L118 HydrophobicContact CB-CG 4.28Å
113	K	88.5	Confident	94.7	Very high	126 Å²	126	39 Å²	39	55%	0.548	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-11.5	175.7	67.5	176.4	172.8	-161.9	0	115.7	D95	D95-K113 HydrophobicContact CB-CD 4.23Å; D95-K113 PolarHBondContact O-N 3.37Å; D95-K113 IonicContact OD2-NZ 3.84Å; D95-K113 PolarHBondContact OD2-NZ 2.82Å
114	N	91.5	Very high	94.6	Very high	101 Å²	101	42.5 Å²	42.5	54%	0.54	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	16.6	177.2	-57.4	-51.1	0	0	0	111.5	D112 A116	D112-N114 PolarHBondContact O-N 2.95Å; D112-N114 VanDerWaalsContact O-N 3.11Å; D112-N114 VanDerWaalsContact OD1-CA 3.23Å; D112-N114 WeakPolarHBondContact OD1-CA 3.43Å; D112-N114 WeakPolarHBondContact OD1-CB 3.46Å; D112-N114 PolarHBondContact OD1-N 3.11Å; N114-A116 PolarHBondContact O-N 2.95Å
115	N	94.6	Very high	94.6	Very high	25 Å²	25	36.1 Å²	36.1	13%	0.134	17%	0.172	C	C	.	.	S	Bend	trans	71.9	5.2	177.2	-42.2	-46.5	0	0	0	115.2	D112 H134 F135 L136 D137 V138	D112-N115 PolarHBondContact O-N 2.97Å; D112-N115 PolarHBondContact OD1-N 3.43Å; N115-H134 HydrophobicContact CB-CB 4.26Å; N115-F135 PolarHBondContact ND2-O 2.75Å; N115-L136 WeakPolarHBondContact CB-O 3.43Å; N115-L136 WeakPolarHBondContact ND2-CA 3.09Å; N115-L136 PolarHBondContact OD1-O 3.16Å; N115-D137 VanDerWaalsContact OD1-CA 3.28Å; N115-D137 WeakPolarHBondContact OD1-CA 3.23Å; N115-D137 PolarHBondContact OD1-N 2.78Å; N115-D137 PolarHBondContact OD1-OD1 2.61Å; N115-V138 WeakPolarHBondContact O-CG2 3.5Å
116	A	96.5	Very high	94.7	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.033	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-77.6	152.2	175.2	0	0	0	0	0	110.5	C111 D112 N114 K130 F131 E132	C111-A116 CarbonylContact C-O 3.59Å; C111-A116 WeakPolarHBondContact CA-O 3.4Å; D112-A116 PolarHBondContact N-O 2.78Å; D112-A116 PolarHBondContact OD1-N 2.98Å; N114-A116 PolarHBondContact O-N 2.95Å; A116-K130 HydrophobicContact CB-CD 4.14Å; A116-K130 HydrophobicContact CB-CG 3.82Å; A116-F131 WeakPolarHBondContact CA-O 3.33Å; A116-E132 HydrophobicContact CB-CG 4.16Å
117	I	97.7	Very high	94.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.4	174.5	-59.1	166	0	0	0	108.2	V109 S110 K130 F131 V138 L141 L150 W162	V109-I117 HydrophobicContact CB-CG2 4.16Å; V109-I117 HydrophobicContact CG1-CG2 4.35Å; S110-I117 CarbonylContact O-C 3.23Å; S110-I117 WeakPolarHBondContact O-CA 3.4Å; I117-K130 CarbonylContact O-C 3.6Å; I117-K130 WeakPolarHBondContact O-CA 3.21Å; I117-F131 HydrophobicContact CB-CB 4.21Å; I117-F131 HydrophobicContact CB-CD2 4.17Å; I117-F131 HydrophobicContact CG2-CD2 4.07Å; I117-F131 PolarHBondContact N-O 2.9Å; I117-F131 PolarHBondContact O-N 2.74Å; I117-V138 HydrophobicContact CG1-CG2 4.32Å; I117-L141 HydrophobicContact CD1-CD2 3.71Å; I117-L141 HydrophobicContact CG1-CD2 4.06Å; I117-L141 HydrophobicContact CG2-CD1 4.46Å; I117-L141 HydrophobicContact CG2-CD2 4.26Å; I117-L150 HydrophobicContact CD1-CD2 4.32Å; I117-L150 HydrophobicContact CG2-CD2 3.76Å; I117-W162 HydrophobicContact CD1-CZ2 4.14Å
118	L	97.5	Very high	94.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.1	178.5	-54.6	179.1	0	0	0	109.4	P91 V94 V109 S110 D112 K130	P91-L118 HydrophobicContact CB-CB 4.13Å; P91-L118 HydrophobicContact CB-CD1 3.77Å; P91-L118 HydrophobicContact CG-CD1 4.4Å; P91-L118 WeakPolarHBondContact O-CD1 3.19Å; V94-L118 HydrophobicContact CG2-CD1 3.42Å; V94-L118 VanDerWaalsContact CG2-CD1 3.42Å; V109-L118 VanDerWaalsContact CA-O 3.24Å; V109-L118 WeakPolarHBondContact CA-O 3.5Å; S110-L118 PolarHBondContact N-O 2.84Å; S110-L118 PolarHBondContact O-N 2.85Å; D112-L118 HydrophobicContact CB-CD1 3.98Å; D112-L118 HydrophobicContact CB-CG 4.28Å; L118-K130 HydrophobicContact CD2-CB 4.01Å; L118-K130 HydrophobicContact CD2-CD 4.22Å; L118-K130 HydrophobicContact CD2-CG 3.78Å
119	L	97.3	Very high	94.6	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.2	171.7	-170.4	75.2	0	0	0	108.8	I107 V109 C127 K128 S129 F131 F143 I164	I107-L119 HydrophobicContact CG2-CD1 3.31Å; I107-L119 HydrophobicContact CG2-CD2 4.5Å; I107-L119 HydrophobicContact CG2-CG 3.83Å; V109-L119 HydrophobicContact CG1-CD1 3.52Å; L119-C127 CarbonylContact O-C 3.59Å; L119-C127 WeakPolarHBondContact O-CA 3.39Å; L119-C127 PolarHBondContact O-SG 2.9Å; L119-K128 HydrophobicContact CD2-CB 4.21Å; L119-K128 HydrophobicContact CG-CB 4.47Å; L119-K128 PolarHBondContact O-N 2.77Å; L119-S129 PolarHBondContact N-O 2.96Å; L119-S129 PolarHBondContact O-N 2.86Å; L119-F131 HydrophobicContact CB-CZ 4.13Å; L119-F131 HydrophobicContact CD2-CZ 4.19Å; L119-F143 HydrophobicContact CD1-CZ 4.36Å; L119-I164 HydrophobicContact CD1-CD1 3.97Å; L119-I164 HydrophobicContact CD1-CG2 4.24Å; L119-I164 HydrophobicContact CD2-CG2 3.95Å
120	W	96.6	Very high	94.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	159.1	-178.6	50.2	-88.7	0	0	0	112	F89 P91 I102 G108 S110 T122 A126 F355 I363	F89-W120 HydrophobicContact CE1-CZ3 4.48Å; F89-W120 HydrophobicContact CE2-CD2 4.12Å; F89-W120 HydrophobicContact CE2-CE3 4.08Å; F89-W120 HydrophobicContact CE2-CG 4.46Å; F89-W120 AromaticContact CZ-CD2 3.99Å; F89-W120 HydrophobicContact CZ-CD2 3.99Å; F89-W120 AromaticContact CZ-CE3 3.65Å; F89-W120 HydrophobicContact CZ-CE3 3.65Å; F89-W120 HydrophobicContact CZ-CH2 4.01Å; F89-W120 HydrophobicContact CZ-CZ2 4.31Å; F89-W120 AromaticContact CZ-CZ3 3.66Å; F89-W120 HydrophobicContact CZ-CZ3 3.66Å; P91-W120 HydrophobicContact CB-CB 4.31Å; P91-W120 HydrophobicContact CB-CG 4.18Å; P91-W120 HydrophobicContact CG-CG 4.13Å; I102-W120 HydrophobicContact CD1-CH2 3.92Å; I102-W120 HydrophobicContact CG1-CH2 4.21Å; G108-W120 PolarHBondContact N-O 2.82Å; G108-W120 PolarHBondContact O-N 2.92Å; S110-W120 PolarHBondContact OG-NE1 3.44Å; W120-T122 HydrophobicContact CE3-CG2 4.3Å; W120-T122 HydrophobicContact CH2-CG2 4.18Å; W120-T122 HydrophobicContact CZ3-CG2 3.58Å; W120-A126 CarbonylContact C-O 3.53Å; W120-A126 WeakPolarHBondContact CA-O 3.45Å; W120-A126 VanDerWaalsContact CB-O 3.26Å; W120-A126 WeakPolarHBondContact CB-O 3.47Å; W120-F355 HydrophobicContact CH2-CB 4.35Å; W120-F355 AromaticContact CH2-CD1 3.43Å; W120-F355 HydrophobicContact CH2-CD1 3.43Å; W120-F355 VanDerWaalsContact CH2-CD1 3.43Å; W120-F355 AromaticContact CH2-CE1 3.88Å; W120-F355 HydrophobicContact CH2-CE1 3.88Å; W120-F355 AromaticContact CH2-CG 3.98Å; W120-F355 HydrophobicContact CH2-CG 3.98Å; W120-F355 AromaticContact CZ3-CD1 3.67Å; W120-F355 HydrophobicContact CZ3-CD1 3.67Å; W120-F355 AromaticContact CZ3-CE1 3.59Å; W120-F355 HydrophobicContact CZ3-CE1 3.59Å; W120-F355 HydrophobicContact CZ3-CG 4.5Å; W120-F355 HydrophobicContact CZ3-CZ 4.38Å; W120-I363 HydrophobicContact CH2-CG2 4.44Å; W120-I363 HydrophobicContact CZ2-CD1 3.79Å; W120-I363 HydrophobicContact CZ2-CG2 4.46Å
121	D	94.7	Very high	94.5	Very high	32 Å²	32	46.2 Å²	46.2	17%	0.171	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.9	178.3	-161.3	-54	0	0	0	110.9	Y123 D124 N125 A126 K128	D121-Y123 PolarHBondContact O-N 2.92Å; D121-Y123 VanDerWaalsContact OD1-CB 3.22Å; D121-Y123 WeakPolarHBondContact OD1-CB 3.23Å; D121-Y123 PolarHBondContact OD1-N 3.38Å; D121-D124 WeakPolarHBondContact CB-OD1 3.3Å; D121-N125 WeakPolarHBondContact O-CA 3.09Å; D121-N125 PolarHBondContact O-N 2.96Å; D121-A126 PolarHBondContact N-O 2.94Å; D121-K128 WeakPolarHBondContact OD2-CE 3.32Å; D121-K128 IonicContact OD2-NZ 2.68Å; D121-K128 PolarHBondContact OD2-NZ 3.31Å
122	T	94.9	Very high	94.6	Very high	9 Å²	9	52.3 Å²	52.3	6%	0.055	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-13.6	179.9	65	0	0	0	0	113.5	I102 G106 W120 N349 F355	I102-T122 HydrophobicContact CD1-CG2 3.99Å; I102-T122 HydrophobicContact CG1-CG2 4.32Å; I102-T122 HydrophobicContact CG2-CG2 3.86Å; G106-T122 VanDerWaalsContact CA-OG1 3.27Å; G106-T122 WeakPolarHBondContact CA-OG1 3.36Å; G106-T122 VanDerWaalsContact O-CB 3.29Å; G106-T122 WeakPolarHBondContact O-CB 3.4Å; G106-T122 WeakPolarHBondContact O-CG2 3.21Å; G106-T122 PolarHBondContact O-N 3.15Å; G106-T122 PolarHBondContact O-OG1 2.8Å; W120-T122 HydrophobicContact CE3-CG2 4.3Å; W120-T122 HydrophobicContact CH2-CG2 4.18Å; W120-T122 HydrophobicContact CZ3-CG2 3.58Å; T122-N349 HydrophobicContact CG2-CB 4.07Å; T122-N349 PolarHBondContact OG1-ND2 3.14Å; T122-F355 HydrophobicContact CG2-CE1 4.38Å; T122-F355 HydrophobicContact CG2-CE2 4.13Å; T122-F355 HydrophobicContact CG2-CZ 3.95Å
123	Y	92.7	Very high	94.7	Very high	211 Å²	211	53.2 Å²	53.2	83%	0.827	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-49.7	179	179.7	-99.1	0	0	0	112.3	D121	D121-Y123 PolarHBondContact O-N 2.92Å; D121-Y123 VanDerWaalsContact OD1-CB 3.22Å; D121-Y123 WeakPolarHBondContact OD1-CB 3.23Å; D121-Y123 PolarHBondContact OD1-N 3.38Å
124	D	92	Very high	95.1	Very high	87 Å²	87	47.8 Å²	47.8	47%	0.465	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-6.2	-176.6	65.7	9.1	0	0	0	114	D121 A126	D121-D124 WeakPolarHBondContact CB-OD1 3.3Å; D124-A126 PolarHBondContact O-N 3.41Å; D124-A126 WeakPolarHBondContact OD1-CB 3.3Å; D124-A126 PolarHBondContact OD1-N 3.38Å
125	N	91.3	Very high	95.3	Very high	18 Å²	18	50.3 Å²	50.3	10%	0.096	25%	0.252	C	S	.	.			trans	64.1	15.9	-175.5	-55.4	-24.5	0	0	0	114	F89 D121	F89-N125 HydrophobicContact CB-CB 4.33Å; F89-N125 HydrophobicContact CD1-CB 3.86Å; F89-N125 WeakPolarHBondContact CD1-ND2 3.36Å; F89-N125 HydrophobicContact CD2-CB 3.6Å; F89-N125 HydrophobicContact CE1-CB 3.97Å; F89-N125 HydrophobicContact CE2-CB 3.69Å; F89-N125 HydrophobicContact CG-CB 3.67Å; F89-N125 HydrophobicContact CZ-CB 3.89Å; D121-N125 WeakPolarHBondContact O-CA 3.09Å; D121-N125 PolarHBondContact O-N 2.96Å
126	A	92.3	Very high	95.5	Very high	43 Å²	43	53.5 Å²	53.5	36%	0.355	27%	0.269	S	S	.	.			trans	-77.4	138.3	-179.1	0	0	0	0	0	111.1	W120 D121 D124	W120-A126 CarbonylContact C-O 3.53Å; W120-A126 WeakPolarHBondContact CA-O 3.45Å; W120-A126 VanDerWaalsContact CB-O 3.26Å; W120-A126 WeakPolarHBondContact CB-O 3.47Å; D121-A126 PolarHBondContact N-O 2.94Å; D124-A126 PolarHBondContact O-N 3.41Å; D124-A126 WeakPolarHBondContact OD1-CB 3.3Å; D124-A126 PolarHBondContact OD1-N 3.38Å
127	C	94.6	Very high	95.4	Very high	46 Å²	46	56.7 Å²	56.7	31%	0.311	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	130.8	170.8	-175.4	0	0	0	0	110.1	P91 A92 L119	P91-C127 HydrophobicContact CB-CB 4.42Å; A92-C127 HydrophobicContact CB-CB 3.89Å; L119-C127 CarbonylContact O-C 3.59Å; L119-C127 WeakPolarHBondContact O-CA 3.39Å; L119-C127 PolarHBondContact O-SG 2.9Å
128	K	94.8	Very high	95.4	Very high	108 Å²	108	56.8 Å²	56.8	47%	0.47	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-40.3	179.1	-72.2	-178.2	169.5	166.6	0	112.2	I107 L119 D121	I107-K128 VanDerWaalsContact CD1-NZ 3.3Å; L119-K128 HydrophobicContact CD2-CB 4.21Å; L119-K128 HydrophobicContact CG-CB 4.47Å; L119-K128 PolarHBondContact O-N 2.77Å; D121-K128 WeakPolarHBondContact OD2-CE 3.32Å; D121-K128 IonicContact OD2-NZ 2.68Å; D121-K128 PolarHBondContact OD2-NZ 3.31Å
129	S	95.8	Very high	95.4	Very high	47 Å²	47	61.2 Å²	61.2	33%	0.329	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	158.2	-173.5	-62.4	0	0	0	0	111.5	L119	L119-S129 PolarHBondContact N-O 2.96Å; L119-S129 PolarHBondContact O-N 2.86Å
130	K	95.8	Very high	95.4	Very high	95 Å²	95	61.4 Å²	61.4	41%	0.413	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.5	175.6	179.3	-179.3	-172.7	-156.5	0	108.4	A116 I117 L118 E132	A116-K130 HydrophobicContact CB-CD 4.14Å; A116-K130 HydrophobicContact CB-CG 3.82Å; I117-K130 CarbonylContact O-C 3.6Å; I117-K130 WeakPolarHBondContact O-CA 3.21Å; L118-K130 HydrophobicContact CD2-CB 4.01Å; L118-K130 HydrophobicContact CD2-CD 4.22Å; L118-K130 HydrophobicContact CD2-CG 3.78Å; K130-E132 HydrophobicContact CD-CG 4.3Å; K130-E132 WeakPolarHBondContact CE-OE1 3.29Å; K130-E132 HydrophobicContact CG-CG 4.16Å; K130-E132 IonicContact NZ-OE1 2.93Å; K130-E132 PolarHBondContact NZ-OE1 2.95Å
131	F	97.4	Very high	95.4	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.009	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120	177.8	-45.4	-31.6	0	0	0	108.9	A116 I117 L119 L150 W162 I164 G167	A116-F131 WeakPolarHBondContact CA-O 3.33Å; I117-F131 HydrophobicContact CB-CB 4.21Å; I117-F131 HydrophobicContact CB-CD2 4.17Å; I117-F131 HydrophobicContact CG2-CD2 4.07Å; I117-F131 PolarHBondContact N-O 2.9Å; I117-F131 PolarHBondContact O-N 2.74Å; L119-F131 HydrophobicContact CB-CZ 4.13Å; L119-F131 HydrophobicContact CD2-CZ 4.19Å; F131-L150 HydrophobicContact CD2-CD2 4.26Å; F131-L150 HydrophobicContact CE2-CD2 4.18Å; F131-W162 HydrophobicContact CB-CD2 4.17Å; F131-W162 HydrophobicContact CB-CE3 3.7Å; F131-W162 HydrophobicContact CB-CH2 4.19Å; F131-W162 HydrophobicContact CB-CZ3 3.71Å; F131-W162 HydrophobicContact CD2-CB 4.34Å; F131-W162 HydrophobicContact CD2-CD2 4.39Å; F131-W162 HydrophobicContact CD2-CE3 4.49Å; F131-W162 HydrophobicContact CD2-CG 4.33Å; F131-W162 HydrophobicContact CG-CE3 4.22Å; F131-I164 HydrophobicContact CE2-CD1 3.8Å; F131-I164 HydrophobicContact CZ-CD1 4.08Å; F131-G167 VanDerWaalsContact CD1-CA 3.45Å
132	E	96.4	Very high	95.5	Very high	131 Å²	131	63 Å²	63	61%	0.612	31%	0.311	S	S	*	.			trans	-110.8	143.1	-178.3	-62.9	-175.6	157.5	0	0	110.1	A116 K130 W162	A116-E132 HydrophobicContact CB-CG 4.16Å; K130-E132 HydrophobicContact CD-CG 4.3Å; K130-E132 WeakPolarHBondContact CE-OE1 3.29Å; K130-E132 HydrophobicContact CG-CG 4.16Å; K130-E132 IonicContact NZ-OE1 2.93Å; K130-E132 PolarHBondContact NZ-OE1 2.95Å; E132-W162 WeakPolarHBondContact O-CH2 3.43Å
133	G	95.1	Very high	95.5	Very high	24 Å²	24	63.2 Å²	63.2	25%	0.247	31%	0.312	C	S	.	.			trans	152.7	-16.2	174.6	0	0	0	0	0	115.3	F135 K160	G133-F135 WeakPolarHBondContact O-CE2 3.33Å; G133-K160 WeakPolarHBondContact O-CE 3.36Å; G133-K160 PolarHBondContact O-NZ 2.82Å
134	H	97.5	Very high	95.5	Very high	11 Å²	11	55 Å²	55	5%	0.051	28%	0.28	C	S	.	.			trans	-75.6	140.7	164.9	-83.5	-69.1	0	0	0	110.1	N115 V138 S152 D156	N115-H134 HydrophobicContact CB-CB 4.26Å; H134-V138 HydrophobicContact CB-CG2 3.97Å; H134-S152 PolarHBondContact CD2-OG 3.45Å; H134-S152 PolarHBondContact NE2-OG 2.86Å; H134-D156 WeakPolarHBondContact CA-OD2 3.38Å; H134-D156 IonicContact CE1-OD1 3.8Å; H134-D156 IonicContact CE1-OD2 3.8Å; H134-D156 IonicContact CG-OD2 3.82Å; H134-D156 VanDerWaalsContact ND1-CG 3.27Å; H134-D156 IonicContact ND1-OD1 2.71Å; H134-D156 PolarHBondContact ND1-OD1 2.81Å; H134-D156 IonicContact ND1-OD2 3.47Å; H134-D156 PolarHBondContact ND1-OD2 2.72Å
135	F	96.5	Very high	95.3	Very high	154 Å²	154	55.5 Å²	55.5	68%	0.675	29%	0.288	S	S	*	.	S	Bend	trans	-103.5	-10.4	-176	-56.9	-72	0	0	0	113.7	N115 G133 D156	N115-F135 PolarHBondContact ND2-O 2.75Å; G133-F135 WeakPolarHBondContact O-CE2 3.33Å; F135-D156 HydrophobicContact CB-CB 4.32Å; F135-D156 PolarHBondContact N-OD2 2.92Å
136	L	97.3	Very high	95.2	Very high	92 Å²	92	57.2 Å²	57.2	48%	0.482	30%	0.301	S	S	.	.	S	Bend	trans	-141.2	171.8	176.4	-67.2	175.7	0	0	0	109.1	N115 V138 G155 D156	N115-L136 WeakPolarHBondContact CB-O 3.43Å; N115-L136 WeakPolarHBondContact ND2-CA 3.09Å; N115-L136 PolarHBondContact OD1-O 3.16Å; L136-V138 PolarHBondContact O-N 2.8Å; L136-G155 WeakPolarHBondContact CD1-O 3.41Å; L136-D156 HydrophobicContact CB-CB 4.22Å; L136-D156 HydrophobicContact CG-CB 4.45Å
137	D	95.9	Very high	95.1	Very high	71 Å²	71	55.5 Å²	55.5	38%	0.38	29%	0.288	S	S	.	.			trans	-44.8	131.4	-175.4	-68.7	-7.3	0	0	0	112.8	N115 Y139 G154 G155	N115-D137 VanDerWaalsContact OD1-CA 3.28Å; N115-D137 WeakPolarHBondContact OD1-CA 3.23Å; N115-D137 PolarHBondContact OD1-N 2.78Å; N115-D137 PolarHBondContact OD1-OD1 2.61Å; D137-Y139 HydrophobicContact CB-CE1 4.03Å; D137-Y139 HydrophobicContact CB-CE2 4.34Å; D137-G154 CarbonylContact O-C 3.46Å; D137-G154 WeakPolarHBondContact O-CA 3.14Å; D137-G155 PolarHBondContact O-N 2.92Å
138	V	97.9	Very high	95	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.018	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.5	170	-176.7	0	0	0	0	108.2	V99 C111 N115 I117 H134 L136 L141	V99-V138 HydrophobicContact CG1-CG1 4.12Å; V99-V138 WeakPolarHBondContact CG1-O 3.23Å; C111-V138 HydrophobicContact CB-CB 3.87Å; C111-V138 HydrophobicContact CB-CG2 4.29Å; N115-V138 WeakPolarHBondContact O-CG2 3.5Å; I117-V138 HydrophobicContact CG1-CG2 4.32Å; H134-V138 HydrophobicContact CB-CG2 3.97Å; L136-V138 PolarHBondContact O-N 2.8Å; V138-L141 HydrophobicContact CG1-CD2 3.87Å; V138-L141 HydrophobicContact CG1-CG 4.11Å
139	Y	96.7	Very high	94.9	Very high	94 Å²	94	55 Å²	55	37%	0.369	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-26.6	-177.3	-69.1	-60.2	0	0	0	113.2	D137 G153 A179	D137-Y139 HydrophobicContact CB-CE1 4.03Å; D137-Y139 HydrophobicContact CB-CE2 4.34Å; Y139-G153 PolarHBondContact N-O 3.39Å; Y139-A179 HydrophobicContact CD2-CB 3.81Å; Y139-A179 HydrophobicContact CE2-CB 3.62Å
140	C	97.1	Very high	95	Very high	11 Å²	11	52.8 Å²	52.8	7%	0.074	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	139.1	-176.3	57.2	0	0	0	0	112	S152 G153 V180 I183	C140-S152 WeakPolarHBondContact O-CA 3.29Å; C140-G153 PolarHBondContact N-O 3.38Å; C140-G153 PolarHBondContact O-N 2.77Å; C140-G153 VanDerWaalsContact SG-CA 3.55Å; C140-V180 PolarHBondContact SG-O 3.44Å; C140-I183 HydrophobicContact CB-CD1 4.17Å; C140-I183 HydrophobicContact CB-CG1 3.82Å
141	L	97.7	Very high	95	Very high	11 Å²	11	48.2 Å²	48.2	6%	0.058	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.8	177.8	-68.7	174	0	0	0	108.4	V99 D101 V109 I117 V138 L150 L151	V99-L141 HydrophobicContact CG1-CD1 3.8Å; V99-L141 HydrophobicContact CG1-CG 3.79Å; V99-L141 HydrophobicContact CG2-CB 4.12Å; V99-L141 HydrophobicContact CG2-CD1 4.46Å; V99-L141 HydrophobicContact CG2-CG 4.25Å; D101-L141 HydrophobicContact CB-CB 4.32Å; V109-L141 HydrophobicContact CB-CD1 4.24Å; V109-L141 HydrophobicContact CG2-CB 4.18Å; V109-L141 HydrophobicContact CG2-CD1 3.91Å; I117-L141 HydrophobicContact CD1-CD2 3.71Å; I117-L141 HydrophobicContact CG1-CD2 4.06Å; I117-L141 HydrophobicContact CG2-CD1 4.46Å; I117-L141 HydrophobicContact CG2-CD2 4.26Å; V138-L141 HydrophobicContact CG1-CD2 3.87Å; V138-L141 HydrophobicContact CG1-CG 4.11Å; L141-L150 HydrophobicContact CD2-CD2 4.25Å; L141-L151 WeakPolarHBondContact CA-O 3.18Å
142	K	96.3	Very high	95.1	Very high	55 Å²	55	48.1 Å²	48.1	24%	0.239	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	122.9	174.5	-156.5	75.5	172.1	-168.5	0	110.6	D101 L151 I183 F185	D101-K142 WeakPolarHBondContact OD2-CA 3.32Å; K142-L151 PolarHBondContact N-O 3.3Å; K142-L151 PolarHBondContact O-N 3.22Å; K142-I183 HydrophobicContact CB-CD1 3.92Å; K142-I183 HydrophobicContact CB-CG1 4.1Å; K142-F185 HydrophobicContact CB-CE2 4.33Å; K142-F185 HydrophobicContact CG-CD2 4.26Å; K142-F185 HydrophobicContact CG-CE2 4.43Å
143	F	95.4	Very high	95.1	Very high	14 Å²	14	41.9 Å²	41.9	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	140.9	166.6	-80.7	-77.1	0	0	0	111.1	D101 N103 I107 V109 L119 L150 I164	D101-F143 HydrophobicContact CB-CD2 4.23Å; D101-F143 PolarHBondContact OD2-N 2.67Å; N103-F143 HydrophobicContact CB-CB 4Å; N103-F143 HydrophobicContact CB-CD1 4.04Å; N103-F143 HydrophobicContact CB-CD2 3.65Å; N103-F143 HydrophobicContact CB-CE1 4.34Å; N103-F143 HydrophobicContact CB-CE2 3.97Å; N103-F143 HydrophobicContact CB-CG 3.65Å; N103-F143 HydrophobicContact CB-CZ 4.29Å; I107-F143 HydrophobicContact CB-CZ 4.37Å; I107-F143 HydrophobicContact CG2-CZ 4.07Å; I107-F143 WeakPolarHBondContact O-CE2 3.47Å; V109-F143 HydrophobicContact CB-CE2 4.3Å; V109-F143 HydrophobicContact CB-CZ 4.3Å; V109-F143 HydrophobicContact CG1-CE1 4.2Å; V109-F143 HydrophobicContact CG1-CE2 4Å; V109-F143 HydrophobicContact CG1-CZ 3.51Å; V109-F143 HydrophobicContact CG2-CD2 4.2Å; V109-F143 HydrophobicContact CG2-CE2 3.62Å; V109-F143 HydrophobicContact CG2-CZ 4.03Å; L119-F143 HydrophobicContact CD1-CZ 4.36Å; F143-L150 HydrophobicContact CD1-CD1 4.27Å; F143-L150 HydrophobicContact CE1-CD1 4.49Å; F143-L150 HydrophobicContact CG-CD1 4.33Å; F143-I164 HydrophobicContact CE1-CD1 3.88Å; F143-I164 HydrophobicContact CE1-CG1 4.07Å
144	F	91.9	Very high	95.3	Very high	39 Å²	39	40.8 Å²	40.8	17%	0.171	21%	0.211	C	C	.	.			trans	-70.4	145.7	163	-173.2	-115.8	0	0	0	109.4	S146 G147 V149 F185 R188	F144-S146 WeakPolarHBondContact CD1-OG 3.31Å; F144-S146 PolarHBondContact O-N 3.05Å; F144-G147 WeakPolarHBondContact O-CA 3.17Å; F144-G147 PolarHBondContact O-N 2.72Å; F144-V149 HydrophobicContact CB-CB 3.8Å; F144-V149 HydrophobicContact CB-CG1 4.41Å; F144-V149 VanDerWaalsContact CB-O 3.24Å; F144-V149 WeakPolarHBondContact CB-O 3.32Å; F144-V149 HydrophobicContact CD1-CB 4.47Å; F144-V149 HydrophobicContact CG-CB 4.35Å; F144-V149 PolarHBondContact N-O 3.33Å; F144-F185 VanDerWaalsContact CA-CE2 3.5Å; F144-F185 HydrophobicContact CB-CD2 4.39Å; F144-F185 HydrophobicContact CB-CE1 4.31Å; F144-F185 HydrophobicContact CB-CE2 3.83Å; F144-F185 HydrophobicContact CB-CZ 3.76Å; F144-F185 HydrophobicContact CD2-CB 4.33Å; F144-F185 AromaticContact CD2-CD1 3.61Å; F144-F185 HydrophobicContact CD2-CD1 3.61Å; F144-F185 AromaticContact CD2-CD2 3.99Å; F144-F185 HydrophobicContact CD2-CD2 3.99Å; F144-F185 AromaticContact CD2-CE1 3.75Å; F144-F185 HydrophobicContact CD2-CE1 3.75Å; F144-F185 HydrophobicContact CD2-CE2 4.13Å; F144-F185 AromaticContact CD2-CG 3.71Å; F144-F185 HydrophobicContact CD2-CG 3.71Å; F144-F185 AromaticContact CD2-CZ 3.99Å; F144-F185 HydrophobicContact CD2-CZ 3.99Å; F144-F185 HydrophobicContact CE2-CD1 4.27Å; F144-F185 HydrophobicContact CE2-CG 4.38Å; F144-F185 HydrophobicContact CG-CE1 4.37Å; F144-F185 HydrophobicContact CG-CE2 4.5Å; F144-F185 HydrophobicContact CG-CZ 4.29Å; F144-R188 WeakPolarHBondContact CE2-O 3.33Å; F144-R188 WeakPolarHBondContact CZ-O 3.31Å
145	P	87	Confident	95.3	Very high	97 Å²	97	40.9 Å²	40.9	63%	0.63	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-24	-177.5	-31.6	39.2	0	0	0	115.9	G147	P145-G147 PolarHBondContact O-N 2.75Å
146	S	89.3	Confident	95.4	Very high	54 Å²	54	34.4 Å²	34.4	38%	0.378	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-13.2	173.3	74.4	0	0	0	0	114	F144 L148	F144-S146 WeakPolarHBondContact CD1-OG 3.31Å; F144-S146 PolarHBondContact O-N 3.05Å; S146-L148 PolarHBondContact O-N 2.74Å; S146-L148 PolarHBondContact OG-N 2.75Å
147	G	90.1	Very high	95.4	Very high	6 Å²	6	33.8 Å²	33.8	6%	0.062	18%	0.183	C	C	.	.	S	Bend	trans	76	-5.6	-174.9	0	0	0	0	0	114.9	F144 P145 I164	F144-G147 WeakPolarHBondContact O-CA 3.17Å; F144-G147 PolarHBondContact O-N 2.72Å; P145-G147 PolarHBondContact O-N 2.75Å; G147-I164 WeakPolarHBondContact O-CG1 3.37Å
148	L	92.6	Very high	95.5	Very high	105 Å²	105	31.7 Å²	31.7	55%	0.55	17%	0.172	S	C	.	.	S	Bend	trans	-89.6	-17.1	-174.2	-59.3	178.6	0	0	0	114.2	S146 I164	S146-L148 PolarHBondContact O-N 2.74Å; S146-L148 PolarHBondContact OG-N 2.75Å; L148-I164 WeakPolarHBondContact O-CB 3.43Å; L148-I164 PolarHBondContact O-N 2.9Å
149	V	94.2	Very high	95.5	Very high	39 Å²	39	31.6 Å²	31.6	24%	0.236	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.2	-176.5	177.1	0	0	0	0	109.1	F144 I161 W162	F144-V149 HydrophobicContact CB-CB 3.8Å; F144-V149 HydrophobicContact CB-CG1 4.41Å; F144-V149 VanDerWaalsContact CB-O 3.24Å; F144-V149 WeakPolarHBondContact CB-O 3.32Å; F144-V149 HydrophobicContact CD1-CB 4.47Å; F144-V149 HydrophobicContact CG-CB 4.35Å; F144-V149 PolarHBondContact N-O 3.33Å; V149-I161 HydrophobicContact CG1-CG2 3.48Å; V149-I161 VanDerWaalsContact CG1-CG2 3.48Å; V149-W162 VanDerWaalsContact CA-O 3.31Å; V149-W162 WeakPolarHBondContact CA-O 3.37Å
150	L	96.5	Very high	95.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.5	173.3	178.7	72.6	0	0	0	109.8	V109 I117 F131 L141 F143 I161 W162 I164	V109-L150 HydrophobicContact CB-CD2 4.36Å; V109-L150 HydrophobicContact CG1-CD1 4.32Å; V109-L150 HydrophobicContact CG1-CD2 3.9Å; V109-L150 HydrophobicContact CG2-CD1 3.8Å; V109-L150 HydrophobicContact CG2-CD2 4.45Å; I117-L150 HydrophobicContact CD1-CD2 4.32Å; I117-L150 HydrophobicContact CG2-CD2 3.76Å; F131-L150 HydrophobicContact CD2-CD2 4.26Å; F131-L150 HydrophobicContact CE2-CD2 4.18Å; L141-L150 HydrophobicContact CD2-CD2 4.25Å; F143-L150 HydrophobicContact CD1-CD1 4.27Å; F143-L150 HydrophobicContact CE1-CD1 4.49Å; F143-L150 HydrophobicContact CG-CD1 4.33Å; L150-I161 WeakPolarHBondContact O-CA 3.5Å; L150-W162 HydrophobicContact CB-CB 4.24Å; L150-W162 PolarHBondContact N-O 3.21Å; L150-W162 PolarHBondContact O-N 2.92Å; L150-I164 HydrophobicContact CB-CD1 3.63Å; L150-I164 HydrophobicContact CB-CG1 4.35Å; L150-I164 HydrophobicContact CD2-CD1 4.37Å
151	L	97	Very high	95.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.6	167.7	-177.9	66.7	0	0	0	109.2	L141 K142 L159 K160 I161 I183 F185 I192	L141-L151 WeakPolarHBondContact CA-O 3.18Å; K142-L151 PolarHBondContact N-O 3.3Å; K142-L151 PolarHBondContact O-N 3.22Å; L151-L159 HydrophobicContact CD1-CB 4.2Å; L151-L159 HydrophobicContact CD1-CD2 4.2Å; L151-K160 WeakPolarHBondContact CA-O 3.4Å; L151-I161 HydrophobicContact CD1-CG1 4.03Å; L151-I183 HydrophobicContact CB-CD1 4.02Å; L151-I183 HydrophobicContact CD2-CB 3.71Å; L151-I183 HydrophobicContact CD2-CD1 3.91Å; L151-I183 HydrophobicContact CD2-CG1 4.26Å; L151-I183 HydrophobicContact CD2-CG2 4.15Å; L151-I183 HydrophobicContact CG-CB 4.32Å; L151-I183 HydrophobicContact CG-CD1 3.66Å; L151-I183 HydrophobicContact CG-CG2 4.48Å; L151-I183 VanDerWaalsContact O-CD1 3.26Å; L151-I183 WeakPolarHBondContact O-CD1 3.43Å; L151-F185 HydrophobicContact CB-CE1 4.39Å; L151-F185 HydrophobicContact CB-CE2 3.96Å; L151-F185 HydrophobicContact CB-CZ 3.59Å; L151-F185 HydrophobicContact CD2-CZ 4.36Å; L151-I192 HydrophobicContact CD1-CD1 3.83Å; L151-I192 HydrophobicContact CD1-CG2 4.41Å; L151-I192 HydrophobicContact CD2-CB 4.37Å; L151-I192 HydrophobicContact CD2-CD1 4.19Å; L151-I192 HydrophobicContact CD2-CG1 3.98Å; L151-I192 HydrophobicContact CD2-CG2 3.46Å; L151-I192 VanDerWaalsContact CD2-CG2 3.46Å
152	S	98	Very high	95.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	151.4	171.8	63.8	0	0	0	0	111.3	H134 C140 L159 K160 W162	H134-S152 PolarHBondContact CD2-OG 3.45Å; H134-S152 PolarHBondContact NE2-OG 2.86Å; C140-S152 WeakPolarHBondContact O-CA 3.29Å; S152-L159 CarbonylContact O-C 3.53Å; S152-L159 WeakPolarHBondContact O-CA 3.35Å; S152-K160 PolarHBondContact N-O 3.22Å; S152-K160 PolarHBondContact O-N 3.3Å; S152-W162 PolarHBondContact OG-NE1 3.41Å
153	G	98.1	Very high	95.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.4	171.2	0	0	0	0	0	110.9	Y139 C140 L158	Y139-G153 PolarHBondContact N-O 3.39Å; C140-G153 PolarHBondContact N-O 3.38Å; C140-G153 PolarHBondContact O-N 2.77Å; C140-G153 VanDerWaalsContact SG-CA 3.55Å; G153-L158 WeakPolarHBondContact CA-O 3.49Å
154	G	97.7	Very high	95.5	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	179.8	-172.4	0	0	0	0	0	115.4	D137 D156 M157 L158 A179 V180	D137-G154 CarbonylContact O-C 3.46Å; D137-G154 WeakPolarHBondContact O-CA 3.14Å; G154-D156 PolarHBondContact O-N 3.34Å; G154-M157 PolarHBondContact O-N 2.64Å; G154-M157 VanDerWaalsContact O-N 3.15Å; G154-L158 PolarHBondContact N-O 2.94Å; G154-A179 WeakPolarHBondContact O-CA 3.19Å; G154-V180 PolarHBondContact O-N 3.31Å
155	G	98	Very high	95.6	Very high	13 Å²	13	32.2 Å²	32.2	13%	0.134	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.6	176	0	0	0	0	0	113.9	L136 D137 M157	L136-G155 WeakPolarHBondContact CD1-O 3.41Å; D137-G155 PolarHBondContact O-N 2.92Å; G155-M157 PolarHBondContact O-N 3.02Å
156	D	98.2	Very high	96	Very high	18 Å²	18	31.2 Å²	31.2	10%	0.096	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	4.6	172.5	63	3.1	0	0	0	112.9	H134 F135 L136 G154 L158	H134-D156 WeakPolarHBondContact CA-OD2 3.38Å; H134-D156 IonicContact CE1-OD1 3.8Å; H134-D156 IonicContact CE1-OD2 3.8Å; H134-D156 IonicContact CG-OD2 3.82Å; H134-D156 VanDerWaalsContact ND1-CG 3.27Å; H134-D156 IonicContact ND1-OD1 2.71Å; H134-D156 PolarHBondContact ND1-OD1 2.81Å; H134-D156 IonicContact ND1-OD2 3.47Å; H134-D156 PolarHBondContact ND1-OD2 2.72Å; F135-D156 HydrophobicContact CB-CB 4.32Å; F135-D156 PolarHBondContact N-OD2 2.92Å; L136-D156 HydrophobicContact CB-CB 4.22Å; L136-D156 HydrophobicContact CG-CB 4.45Å; G154-D156 PolarHBondContact O-N 3.34Å; D156-L158 HydrophobicContact CB-CG 4.43Å; D156-L158 WeakPolarHBondContact O-CG 3.39Å; D156-L158 PolarHBondContact O-N 2.81Å; D156-L158 WeakPolarHBondContact OD1-CB 3.22Å; D156-L158 PolarHBondContact OD1-N 3.02Å
157	M	98.3	Very high	96.2	Very high	80 Å²	80	29.4 Å²	29.4	39%	0.394	16%	0.161	S	C	.	.	S	Bend	trans	69.6	10	176.2	-40.7	169	-127.1	0	0	113.3	G154 G155 K177 R178	G154-M157 PolarHBondContact O-N 2.64Å; G154-M157 VanDerWaalsContact O-N 3.15Å; G155-M157 PolarHBondContact O-N 3.02Å; M157-K177 VanDerWaalsContact SD-O 3.33Å; M157-R178 WeakPolarHBondContact CG-O 3.26Å
158	L	98	Very high	96.5	Very high	27 Å²	27	35 Å²	35	14%	0.141	19%	0.186	C	C	.	.			trans	-98.7	146.1	-177.3	-57.3	-179.4	0	0	0	110.5	G153 G154 D156 T172 M174	G153-L158 WeakPolarHBondContact CA-O 3.49Å; G154-L158 PolarHBondContact N-O 2.94Å; D156-L158 HydrophobicContact CB-CG 4.43Å; D156-L158 WeakPolarHBondContact O-CG 3.39Å; D156-L158 PolarHBondContact O-N 2.81Å; D156-L158 WeakPolarHBondContact OD1-CB 3.22Å; D156-L158 PolarHBondContact OD1-N 3.02Å; L158-T172 HydrophobicContact CB-CG2 4.17Å; L158-T172 HydrophobicContact CD1-CG2 3.94Å; L158-T172 HydrophobicContact CD2-CG2 3.89Å; L158-T172 HydrophobicContact CG-CG2 4.22Å; L158-M174 HydrophobicContact CD2-CG 3.86Å
159	L	98.1	Very high	96.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.6	153.7	-56.9	94.9	0	0	0	110.1	L151 S152 T172 L173 V180 I183 I192 W204	L151-L159 HydrophobicContact CD1-CB 4.2Å; L151-L159 HydrophobicContact CD1-CD2 4.2Å; S152-L159 CarbonylContact O-C 3.53Å; S152-L159 WeakPolarHBondContact O-CA 3.35Å; L159-T172 CarbonylContact O-C 3.43Å; L159-T172 VanDerWaalsContact O-CA 3.31Å; L159-T172 WeakPolarHBondContact O-CA 3.21Å; L159-L173 HydrophobicContact CB-CB 4.13Å; L159-L173 HydrophobicContact CD1-CB 4.38Å; L159-L173 PolarHBondContact N-O 2.91Å; L159-L173 VanDerWaalsContact N-O 3.16Å; L159-L173 PolarHBondContact O-N 2.72Å; L159-V180 HydrophobicContact CD1-CG1 4.42Å; L159-V180 HydrophobicContact CD1-CG2 4.05Å; L159-V180 HydrophobicContact CD2-CG1 4.17Å; L159-V180 HydrophobicContact CG-CG1 4.09Å; L159-V180 HydrophobicContact CG-CG2 4.24Å; L159-I183 HydrophobicContact CD2-CG2 3.49Å; L159-I183 VanDerWaalsContact CD2-CG2 3.49Å; L159-I192 HydrophobicContact CD2-CG2 4.2Å; L159-W204 HydrophobicContact CD1-CH2 4.48Å; L159-W204 HydrophobicContact CD1-CZ2 3.77Å
160	K	97.6	Very high	96.7	Very high	16 Å²	16	34.8 Å²	34.8	7%	0.07	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.4	176.1	-68.9	178.4	-178.6	-77.3	0	110.9	G133 L151 S152 W162 R171 T172	G133-K160 WeakPolarHBondContact O-CE 3.36Å; G133-K160 PolarHBondContact O-NZ 2.82Å; L151-K160 WeakPolarHBondContact CA-O 3.4Å; S152-K160 PolarHBondContact N-O 3.22Å; S152-K160 PolarHBondContact O-N 3.3Å; K160-W162 HydrophobicContact CB-CD2 4.48Å; K160-W162 HydrophobicContact CB-CZ2 3.69Å; K160-W162 HydrophobicContact CD-CH2 3.81Å; K160-W162 HydrophobicContact CD-CZ2 3.33Å; K160-W162 HydrophobicContact CG-CZ2 4.14Å; K160-R171 WeakPolarHBondContact CA-O 3.33Å; K160-T172 HydrophobicContact CG-CG2 4.46Å; K160-T172 PolarHBondContact NZ-OG1 2.82Å; K160-T172 VanDerWaalsContact NZ-OG1 3.09Å
161	I	96.3	Very high	96.6	Very high	15 Å²	15	40.8 Å²	40.8	8%	0.077	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.4	174.6	-56	-178.8	0	0	0	107.3	V149 L150 L151 C169 H170 R171 L173 I192	V149-I161 HydrophobicContact CG1-CG2 3.48Å; V149-I161 VanDerWaalsContact CG1-CG2 3.48Å; L150-I161 WeakPolarHBondContact O-CA 3.5Å; L151-I161 HydrophobicContact CD1-CG1 4.03Å; I161-C169 CarbonylContact O-C 3.53Å; I161-H170 PolarHBondContact O-N 2.71Å; I161-R171 HydrophobicContact CB-CB 4.24Å; I161-R171 HydrophobicContact CD1-CB 4.12Å; I161-R171 HydrophobicContact CG1-CB 4.32Å; I161-R171 PolarHBondContact N-O 2.92Å; I161-R171 PolarHBondContact O-N 2.82Å; I161-L173 HydrophobicContact CD1-CD1 3.84Å; I161-L173 HydrophobicContact CG1-CD1 3.89Å; I161-I192 HydrophobicContact CD1-CD1 3.61Å; I161-I192 HydrophobicContact CG1-CD1 4.09Å
162	W	97.2	Very high	96.6	Very high	3 Å²	3	43.2 Å²	43.2	1%	0.011	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.6	-176.5	-48.4	87.1	0	0	0	111	I117 F131 E132 V149 L150 S152 K160 Q168 C169	I117-W162 HydrophobicContact CD1-CZ2 4.14Å; F131-W162 HydrophobicContact CB-CD2 4.17Å; F131-W162 HydrophobicContact CB-CE3 3.7Å; F131-W162 HydrophobicContact CB-CH2 4.19Å; F131-W162 HydrophobicContact CB-CZ3 3.71Å; F131-W162 HydrophobicContact CD2-CB 4.34Å; F131-W162 HydrophobicContact CD2-CD2 4.39Å; F131-W162 HydrophobicContact CD2-CE3 4.49Å; F131-W162 HydrophobicContact CD2-CG 4.33Å; F131-W162 HydrophobicContact CG-CE3 4.22Å; E132-W162 WeakPolarHBondContact O-CH2 3.43Å; V149-W162 VanDerWaalsContact CA-O 3.31Å; V149-W162 WeakPolarHBondContact CA-O 3.37Å; L150-W162 HydrophobicContact CB-CB 4.24Å; L150-W162 PolarHBondContact N-O 3.21Å; L150-W162 PolarHBondContact O-N 2.92Å; S152-W162 PolarHBondContact OG-NE1 3.41Å; K160-W162 HydrophobicContact CB-CD2 4.48Å; K160-W162 HydrophobicContact CB-CZ2 3.69Å; K160-W162 HydrophobicContact CD-CH2 3.81Å; K160-W162 HydrophobicContact CD-CZ2 3.33Å; K160-W162 HydrophobicContact CG-CZ2 4.14Å; W162-Q168 WeakPolarHBondContact CA-O 3.2Å; W162-C169 HydrophobicContact CD2-CB 4.31Å; W162-C169 HydrophobicContact CE3-CB 3.65Å; W162-C169 HydrophobicContact CH2-CB 4.09Å; W162-C169 HydrophobicContact CZ3-CB 3.52Å
163	S	95.7	Very high	96.6	Very high	10 Å²	10	43.3 Å²	43.3	7%	0.07	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123.6	162.2	156.2	0	0	0	0	109.4	E165 T166 G167 Q168 H170	S163-E165 VanDerWaalsContact C-N 3.27Å; S163-E165 PolarHBondContact O-N 3.21Å; S163-E165 PolarHBondContact OG-N 2.78Å; S163-T166 VanDerWaalsContact CB-OG1 3.23Å; S163-T166 WeakPolarHBondContact CB-OG1 3.41Å; S163-T166 PolarHBondContact OG-N 2.78Å; S163-T166 VanDerWaalsContact OG-N 3.13Å; S163-T166 PolarHBondContact OG-OG1 3.11Å; S163-G167 VanDerWaalsContact O-CA 3.27Å; S163-G167 WeakPolarHBondContact O-CA 3.32Å; S163-G167 PolarHBondContact O-N 2.95Å; S163-Q168 PolarHBondContact N-O 2.9Å; S163-H170 WeakPolarHBondContact CB-NE2 3.23Å
164	I	95.7	Very high	96.5	Very high	23 Å²	23	50.1 Å²	50.1	12%	0.118	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-34.5	177	-66.9	-55.4	0	0	0	111.3	L119 F131 F143 G147 L148 L150	L119-I164 HydrophobicContact CD1-CD1 3.97Å; L119-I164 HydrophobicContact CD1-CG2 4.24Å; L119-I164 HydrophobicContact CD2-CG2 3.95Å; F131-I164 HydrophobicContact CE2-CD1 3.8Å; F131-I164 HydrophobicContact CZ-CD1 4.08Å; F143-I164 HydrophobicContact CE1-CD1 3.88Å; F143-I164 HydrophobicContact CE1-CG1 4.07Å; G147-I164 WeakPolarHBondContact O-CG1 3.37Å; L148-I164 WeakPolarHBondContact O-CB 3.43Å; L148-I164 PolarHBondContact O-N 2.9Å; L150-I164 HydrophobicContact CB-CD1 3.63Å; L150-I164 HydrophobicContact CB-CG1 4.35Å; L150-I164 HydrophobicContact CD2-CD1 4.37Å
165	E	94.3	Very high	96.4	Very high	170 Å²	170	51.6 Å²	51.6	79%	0.794	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-42.7	-178.2	-175.6	-179.4	-176.7	0	0	112.5	S163	S163-E165 VanDerWaalsContact C-N 3.27Å; S163-E165 PolarHBondContact O-N 3.21Å; S163-E165 PolarHBondContact OG-N 2.78Å
166	T	95.1	Very high	96.4	Very high	76 Å²	76	51.5 Å²	51.5	47%	0.466	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-15.3	-174.1	64.1	0	0	0	0	113.5	S163 Q168	S163-T166 VanDerWaalsContact CB-OG1 3.23Å; S163-T166 WeakPolarHBondContact CB-OG1 3.41Å; S163-T166 PolarHBondContact OG-N 2.78Å; S163-T166 VanDerWaalsContact OG-N 3.13Å; S163-T166 PolarHBondContact OG-OG1 3.11Å; T166-Q168 PolarHBondContact O-N 2.94Å; T166-Q168 PolarHBondContact OG1-N 3.36Å
167	G	93.6	Very high	96.3	Very high	16 Å²	16	58.3 Å²	58.3	17%	0.165	30%	0.295	C	S	.	.			trans	65.5	11.4	-171.6	0	0	0	0	0	115.1	F131 S163	F131-G167 VanDerWaalsContact CD1-CA 3.45Å; S163-G167 VanDerWaalsContact O-CA 3.27Å; S163-G167 WeakPolarHBondContact O-CA 3.32Å; S163-G167 PolarHBondContact O-N 2.95Å
168	Q	96.1	Very high	96.3	Very high	125 Å²	125	60.8 Å²	60.8	58%	0.584	30%	0.3	S	S	*	.			trans	-90.1	142.8	-177.6	-62.1	-60.1	-41.4	0	0	112	W162 S163 T166 H170	W162-Q168 WeakPolarHBondContact CA-O 3.2Å; S163-Q168 PolarHBondContact N-O 2.9Å; T166-Q168 PolarHBondContact O-N 2.94Å; T166-Q168 PolarHBondContact OG1-N 3.36Å; Q168-H170 PolarHBondContact O-N 3.02Å
169	C	96.5	Very high	96.3	Very high	44 Å²	44	60 Å²	60	30%	0.297	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	106.6	168.1	179.5	0	0	0	0	109.6	I161 W162 R171	I161-C169 CarbonylContact O-C 3.53Å; W162-C169 HydrophobicContact CD2-CB 4.31Å; W162-C169 HydrophobicContact CE3-CB 3.65Å; W162-C169 HydrophobicContact CH2-CB 4.09Å; W162-C169 HydrophobicContact CZ3-CB 3.52Å; C169-R171 PolarHBondContact SG-O 3.49Å
170	H	94.2	Very high	96.3	Very high	94 Å²	94	60 Å²	60	44%	0.435	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-38.6	178.2	-75.2	-18	0	0	0	113.6	I161 S163 Q168	I161-H170 PolarHBondContact O-N 2.71Å; S163-H170 WeakPolarHBondContact CB-NE2 3.23Å; Q168-H170 PolarHBondContact O-N 3.02Å
171	R	95.2	Very high	96.3	Very high	126 Å²	126	60.3 Å²	60.3	48%	0.475	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	146.9	-178.3	-64.5	-65.6	-176	-90.1	0.3	110.4	K160 I161 C169 L173 A209	K160-R171 WeakPolarHBondContact CA-O 3.33Å; I161-R171 HydrophobicContact CB-CB 4.24Å; I161-R171 HydrophobicContact CD1-CB 4.12Å; I161-R171 HydrophobicContact CG1-CB 4.32Å; I161-R171 PolarHBondContact N-O 2.92Å; I161-R171 PolarHBondContact O-N 2.82Å; C169-R171 PolarHBondContact SG-O 3.49Å; R171-L173 HydrophobicContact CB-CD1 4.03Å; R171-A209 HydrophobicContact CB-CB 4.17Å; R171-A209 HydrophobicContact CG-CB 4.2Å
172	T	96.6	Very high	96.3	Very high	52 Å²	52	59.8 Å²	59.8	32%	0.319	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.7	167.6	-66.3	0	0	0	0	107.5	L158 L159 K160 M174	L158-T172 HydrophobicContact CB-CG2 4.17Å; L158-T172 HydrophobicContact CD1-CG2 3.94Å; L158-T172 HydrophobicContact CD2-CG2 3.89Å; L158-T172 HydrophobicContact CG-CG2 4.22Å; L159-T172 CarbonylContact O-C 3.43Å; L159-T172 VanDerWaalsContact O-CA 3.31Å; L159-T172 WeakPolarHBondContact O-CA 3.21Å; K160-T172 HydrophobicContact CG-CG2 4.46Å; K160-T172 PolarHBondContact NZ-OG1 2.82Å; K160-T172 VanDerWaalsContact NZ-OG1 3.09Å; T172-M174 HydrophobicContact CG2-CG 4.3Å
173	L	97.4	Very high	96.3	Very high	1 Å²	1	60 Å²	60	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.9	-179	-63.2	60.3	0	0	0	107.4	L159 I161 R171 I192 W204 A209	L159-L173 HydrophobicContact CB-CB 4.13Å; L159-L173 HydrophobicContact CD1-CB 4.38Å; L159-L173 PolarHBondContact N-O 2.91Å; L159-L173 VanDerWaalsContact N-O 3.16Å; L159-L173 PolarHBondContact O-N 2.72Å; I161-L173 HydrophobicContact CD1-CD1 3.84Å; I161-L173 HydrophobicContact CG1-CD1 3.89Å; R171-L173 HydrophobicContact CB-CD1 4.03Å; L173-I192 HydrophobicContact CD2-CD1 4.21Å; L173-W204 HydrophobicContact CB-CD2 4.34Å; L173-W204 HydrophobicContact CB-CE3 3.91Å; L173-W204 HydrophobicContact CB-CH2 4.43Å; L173-W204 HydrophobicContact CB-CZ3 3.97Å; L173-W204 HydrophobicContact CD2-CB 3.65Å; L173-W204 HydrophobicContact CD2-CD2 3.76Å; L173-W204 HydrophobicContact CD2-CE3 3.92Å; L173-W204 HydrophobicContact CD2-CG 3.65Å; L173-W204 HydrophobicContact CG-CE3 4.25Å; L173-A209 HydrophobicContact CD1-CB 4.23Å; L173-A209 HydrophobicContact CG-CB 4.16Å
174	M	96.6	Very high	96.2	Very high	143 Å²	143	59.6 Å²	59.6	70%	0.704	30%	0.298	S	S	*	.			trans	-117.8	141.5	-175.9	-58.3	-176.7	-59.6	0	0	109.9	L158 T172 W204	L158-M174 HydrophobicContact CD2-CG 3.86Å; T172-M174 HydrophobicContact CG2-CG 4.3Å; M174-W204 WeakPolarHBondContact O-CZ3 3.36Å
175	G	95.4	Very high	96	Very high	31 Å²	31	59.7 Å²	59.7	32%	0.32	30%	0.298	S	S	.	.			trans	158	-27.7	172.4	0	0	0	0	0	114.5	R202	G175-R202 VanDerWaalsContact O-CZ 3.28Å; G175-R202 PolarHBondContact O-NH2 2.67Å
176	H	97.5	Very high	95.5	Very high	11 Å²	11	51.9 Å²	51.9	5%	0.051	26%	0.261	C	S	.	.			trans	-63.6	149	169.3	-79.6	-61.4	0	0	0	110.8	V180 S194 S196 D198 S200 W204	H176-V180 HydrophobicContact CB-CG2 4.21Å; H176-S194 PolarHBondContact NE2-OG 3.18Å; H176-S196 VanDerWaalsContact CE1-CB 3.44Å; H176-S196 WeakPolarHBondContact CE1-CB 3.46Å; H176-S196 WeakPolarHBondContact ND1-CB 3.32Å; H176-D198 VanDerWaalsContact CA-OD2 3.27Å; H176-D198 WeakPolarHBondContact CA-OD2 3.47Å; H176-D198 IonicContact CG-OD2 3.67Å; H176-D198 IonicContact ND1-OD1 3.85Å; H176-D198 PolarHBondContact ND1-OD1 2.92Å; H176-D198 IonicContact ND1-OD2 2.7Å; H176-D198 PolarHBondContact ND1-OD2 2.82Å; H176-S200 PolarHBondContact CE1-O 3.22Å; H176-S200 PolarHBondContact CE1-OG 2.88Å; H176-S200 PolarHBondContact ND1-OG 3.4Å; H176-W204 AromaticContact CD2-CZ2 3.91Å
177	K	97	Very high	94.6	Very high	162 Å²	162	52.4 Å²	52.4	70%	0.704	26%	0.258	S	S	*	.	S	Bend	trans	-107.1	-5.2	-176.9	-62.3	-177.2	179.2	179.4	0	113.3	M157 D198	M157-K177 VanDerWaalsContact SD-O 3.33Å; K177-D198 HydrophobicContact CB-CB 4.06Å; K177-D198 PolarHBondContact N-OD2 2.98Å
178	R	97.8	Very high	93.7	Very high	131 Å²	131	63.1 Å²	63.1	49%	0.494	29%	0.294	S	S	.	.	S	Bend	trans	-146.1	-176.2	175.7	-60.4	-176.4	71	-168.4	8.3	108.8	M157 V180 S196 D197 D198	M157-R178 WeakPolarHBondContact CG-O 3.26Å; R178-V180 PolarHBondContact O-N 3.09Å; R178-S196 PolarHBondContact O-OG 2.78Å; R178-D197 HydrophobicContact CB-CB 3.85Å; R178-D197 WeakPolarHBondContact CD-O 3.46Å; R178-D197 PolarHBondContact NH1-O 3.03Å; R178-D198 HydrophobicContact CB-CB 4Å; R178-D198 HydrophobicContact CG-CB 4.03Å
179	A	97.7	Very high	92.6	Very high	11 Å²	11	57.8 Å²	57.8	9%	0.091	27%	0.272	C	S	.	.			trans	-51.2	137.3	-177.3	0	0	0	0	0	112.4	Y139 G154 S196 D197	Y139-A179 HydrophobicContact CD2-CB 3.81Å; Y139-A179 HydrophobicContact CE2-CB 3.62Å; G154-A179 WeakPolarHBondContact O-CA 3.19Å; A179-S196 VanDerWaalsContact O-CA 3.23Å; A179-S196 WeakPolarHBondContact O-CA 3.33Å; A179-S196 VanDerWaalsContact O-CB 3.23Å; A179-S196 WeakPolarHBondContact O-CB 3.28Å; A179-S196 PolarHBondContact O-OG 3.11Å; A179-D197 PolarHBondContact O-N 2.87Å; A179-D197 VanDerWaalsContact O-N 3.11Å
180	V	98.4	Very high	92	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	114.1	170.2	-175.9	0	0	0	0	108	C140 G154 L159 H176 R178 I183	C140-V180 PolarHBondContact SG-O 3.44Å; G154-V180 PolarHBondContact O-N 3.31Å; L159-V180 HydrophobicContact CD1-CG1 4.42Å; L159-V180 HydrophobicContact CD1-CG2 4.05Å; L159-V180 HydrophobicContact CD2-CG1 4.17Å; L159-V180 HydrophobicContact CG-CG1 4.09Å; L159-V180 HydrophobicContact CG-CG2 4.24Å; H176-V180 HydrophobicContact CB-CG2 4.21Å; R178-V180 PolarHBondContact O-N 3.09Å; V180-I183 HydrophobicContact CG1-CG2 3.8Å
181	T	97.5	Very high	91.8	Very high	23 Å²	23	59.5 Å²	59.5	14%	0.141	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-24.6	-168.6	49.1	0	0	0	0	113.2	C195 D197 L222	T181-C195 PolarHBondContact N-O 2.95Å; T181-C195 PolarHBondContact OG1-O 2.71Å; T181-C195 PolarHBondContact OG1-SG 2.07Å; T181-C195 VanDerWaalsContact OG1-SG 3.36Å; T181-D197 WeakPolarHBondContact CG2-OD1 3.37Å; T181-L222 WeakPolarHBondContact CB-O 3.42Å; T181-L222 PolarHBondContact OG1-O 3.47Å
182	G	96.8	Very high	91.7	Very high	4 Å²	4	53.5 Å²	53.5	4%	0.041	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	147.3	-180	0	0	0	0	0	111.9	S194 C195	G182-S194 CarbonylContact O-C 3.45Å; G182-S194 VanDerWaalsContact O-CA 3.28Å; G182-S194 WeakPolarHBondContact O-CA 3.42Å; G182-C195 WeakPolarHBondContact CA-SG 3.34Å; G182-C195 PolarHBondContact N-O 2.74Å; G182-C195 PolarHBondContact N-SG 2.82Å; G182-C195 PolarHBondContact O-N 3.31Å
183	I	97	Very high	91.7	Very high	8 Å²	8	51 Å²	51	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	151.7	-174.6	54	172.2	0	0	0	111.1	C140 K142 L151 L159 V180 I193	C140-I183 HydrophobicContact CB-CD1 4.17Å; C140-I183 HydrophobicContact CB-CG1 3.82Å; K142-I183 HydrophobicContact CB-CD1 3.92Å; K142-I183 HydrophobicContact CB-CG1 4.1Å; L151-I183 HydrophobicContact CB-CD1 4.02Å; L151-I183 HydrophobicContact CD2-CB 3.71Å; L151-I183 HydrophobicContact CD2-CD1 3.91Å; L151-I183 HydrophobicContact CD2-CG1 4.26Å; L151-I183 HydrophobicContact CD2-CG2 4.15Å; L151-I183 HydrophobicContact CG-CB 4.32Å; L151-I183 HydrophobicContact CG-CD1 3.66Å; L151-I183 HydrophobicContact CG-CG2 4.48Å; L151-I183 VanDerWaalsContact O-CD1 3.26Å; L151-I183 WeakPolarHBondContact O-CD1 3.43Å; L159-I183 HydrophobicContact CD2-CG2 3.49Å; L159-I183 VanDerWaalsContact CD2-CG2 3.49Å; V180-I183 HydrophobicContact CG1-CG2 3.8Å; I183-I193 CarbonylContact C-O 3.52Å; I183-I193 WeakPolarHBondContact CA-O 3.29Å
184	G	94	Very high	91.7	Very high	1 Å²	1	51 Å²	51	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	156.2	177.3	0	0	0	0	0	112.9	I192 I193	G184-I192 WeakPolarHBondContact O-CA 3.45Å; G184-I193 PolarHBondContact N-O 2.96Å; G184-I193 PolarHBondContact O-N 3.08Å
185	F	91.3	Very high	91.7	Very high	25 Å²	25	44.1 Å²	44.1	11%	0.11	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	153.1	171.6	-70.7	-76.1	0	0	0	111.4	K142 F144 L151 I192 T227	K142-F185 HydrophobicContact CB-CE2 4.33Å; K142-F185 HydrophobicContact CG-CD2 4.26Å; K142-F185 HydrophobicContact CG-CE2 4.43Å; F144-F185 VanDerWaalsContact CA-CE2 3.5Å; F144-F185 HydrophobicContact CB-CD2 4.39Å; F144-F185 HydrophobicContact CB-CE1 4.31Å; F144-F185 HydrophobicContact CB-CE2 3.83Å; F144-F185 HydrophobicContact CB-CZ 3.76Å; F144-F185 HydrophobicContact CD2-CB 4.33Å; F144-F185 AromaticContact CD2-CD1 3.61Å; F144-F185 HydrophobicContact CD2-CD1 3.61Å; F144-F185 AromaticContact CD2-CD2 3.99Å; F144-F185 HydrophobicContact CD2-CD2 3.99Å; F144-F185 AromaticContact CD2-CE1 3.75Å; F144-F185 HydrophobicContact CD2-CE1 3.75Å; F144-F185 HydrophobicContact CD2-CE2 4.13Å; F144-F185 AromaticContact CD2-CG 3.71Å; F144-F185 HydrophobicContact CD2-CG 3.71Å; F144-F185 AromaticContact CD2-CZ 3.99Å; F144-F185 HydrophobicContact CD2-CZ 3.99Å; F144-F185 HydrophobicContact CE2-CD1 4.27Å; F144-F185 HydrophobicContact CE2-CG 4.38Å; F144-F185 HydrophobicContact CG-CE1 4.37Å; F144-F185 HydrophobicContact CG-CE2 4.5Å; F144-F185 HydrophobicContact CG-CZ 4.29Å; L151-F185 HydrophobicContact CB-CE1 4.39Å; L151-F185 HydrophobicContact CB-CE2 3.96Å; L151-F185 HydrophobicContact CB-CZ 3.59Å; L151-F185 HydrophobicContact CD2-CZ 4.36Å; F185-I192 HydrophobicContact CD1-CG1 4.05Å; F185-I192 HydrophobicContact CE1-CD1 4.43Å; F185-I192 HydrophobicContact CE1-CG1 4.03Å; F185-T227 PolarHBondContact O-OG1 2.88Å
186	V	84.1	Confident	91.9	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.03	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.6	-170.7	-168.6	0	0	0	0	109.2	R188 G189 R190 H191 I193 M246	V186-R188 PolarHBondContact O-N 3.38Å; V186-G189 CarbonylContact O-C 3.56Å; V186-G189 WeakPolarHBondContact O-CA 3.37Å; V186-G189 PolarHBondContact O-N 2.81Å; V186-R190 PolarHBondContact O-N 2.92Å; V186-H191 HydrophobicContact CB-CB 3.89Å; V186-H191 WeakPolarHBondContact CB-O 3.14Å; V186-H191 HydrophobicContact CG1-CB 4.37Å; V186-H191 HydrophobicContact CG2-CB 4.3Å; V186-H191 WeakPolarHBondContact CG2-O 3.42Å; V186-H191 PolarHBondContact N-O 2.94Å; V186-H191 PolarHBondContact O-N 3.04Å; V186-I193 HydrophobicContact CG2-CB 4.18Å; V186-I193 HydrophobicContact CG2-CG2 4.11Å; V186-M246 HydrophobicContact CB-CE 3.75Å; V186-M246 HydrophobicContact CG1-CB 3.65Å; V186-M246 HydrophobicContact CG1-CE 3.38Å; V186-M246 HydrophobicContact CG1-CG 4.19Å; V186-M246 HydrophobicContact CG2-CE 3Å
187	E	76.1	Confident	91.8	Very high	87 Å²	87	44.3 Å²	44.3	41%	0.407	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	48.9	55.2	174.4	-72	-173.4	171.6	0	0	113.3	G189 R190 H191	E187-G189 PolarHBondContact O-N 3.01Å; E187-G189 VanDerWaalsContact O-N 3.16Å; E187-R190 HydrophobicContact CB-CB 4.47Å; E187-R190 PolarHBondContact O-N 2.79Å; E187-H191 IonicContact OE2-CD2 3.01Å; E187-H191 PolarHBondContact OE2-CD2 3.29Å; E187-H191 IonicContact OE2-NE2 2.95Å
188	R	75	Confident	91.8	Very high	241 Å²	241	38.1 Å²	38.1	91%	0.909	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	52.3	36	-174.1	-57.1	-177.9	173.1	178.6	-2.7	112.8	F144 V186	F144-R188 WeakPolarHBondContact CE2-O 3.33Å; F144-R188 WeakPolarHBondContact CZ-O 3.31Å; V186-R188 PolarHBondContact O-N 3.38Å
189	G	71.9	Confident	91.7	Very high	13 Å²	13	32 Å²	32	13%	0.134	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	87.1	5.8	172	0	0	0	0	0	117.2	V186 E187 H191 C206	V186-G189 CarbonylContact O-C 3.56Å; V186-G189 WeakPolarHBondContact O-CA 3.37Å; V186-G189 PolarHBondContact O-N 2.81Å; E187-G189 PolarHBondContact O-N 3.01Å; E187-G189 VanDerWaalsContact O-N 3.16Å; G189-H191 PolarHBondContact O-N 3.38Å; G189-C206 PolarHBondContact O-SG 2.92Å
190	R	83.6	Confident	91.6	Very high	161 Å²	161	31.8 Å²	31.8	61%	0.608	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-35.5	175.3	-171.7	179	-178.1	175.3	0.2	111.5	V186 E187 C206	V186-R190 PolarHBondContact O-N 2.92Å; E187-R190 HydrophobicContact CB-CB 4.47Å; E187-R190 PolarHBondContact O-N 2.79Å; R190-C206 WeakPolarHBondContact O-CB 3.2Å; R190-C206 PolarHBondContact O-N 3.46Å; R190-C206 PolarHBondContact O-SG 3.47Å; R190-C206 VanDerWaalsContact O-SG 3.4Å
191	H	90.3	Very high	91.6	Very high	13 Å²	13	31.8 Å²	31.8	6%	0.06	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	152.7	-179.8	-57.1	-66	0	0	0	111	V186 E187 G189 W204 I212	V186-H191 HydrophobicContact CB-CB 3.89Å; V186-H191 WeakPolarHBondContact CB-O 3.14Å; V186-H191 HydrophobicContact CG1-CB 4.37Å; V186-H191 HydrophobicContact CG2-CB 4.3Å; V186-H191 WeakPolarHBondContact CG2-O 3.42Å; V186-H191 PolarHBondContact N-O 2.94Å; V186-H191 PolarHBondContact O-N 3.04Å; E187-H191 IonicContact OE2-CD2 3.01Å; E187-H191 PolarHBondContact OE2-CD2 3.29Å; E187-H191 IonicContact OE2-NE2 2.95Å; G189-H191 PolarHBondContact O-N 3.38Å; H191-W204 WeakPolarHBondContact CA-O 3.32Å; H191-W204 WeakPolarHBondContact CB-O 3.27Å; H191-W204 PolarHBondContact ND1-O 3.28Å; H191-I212 WeakPolarHBondContact ND1-CD1 3.33Å
192	I	94.1	Very high	91.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	144.5	172.2	-70.6	157.3	0	0	0	107.5	L151 L159 I161 L173 G184 F185 F203 W204 C206	L151-I192 HydrophobicContact CD1-CD1 3.83Å; L151-I192 HydrophobicContact CD1-CG2 4.41Å; L151-I192 HydrophobicContact CD2-CB 4.37Å; L151-I192 HydrophobicContact CD2-CD1 4.19Å; L151-I192 HydrophobicContact CD2-CG1 3.98Å; L151-I192 HydrophobicContact CD2-CG2 3.46Å; L151-I192 VanDerWaalsContact CD2-CG2 3.46Å; L159-I192 HydrophobicContact CD2-CG2 4.2Å; I161-I192 HydrophobicContact CD1-CD1 3.61Å; I161-I192 HydrophobicContact CG1-CD1 4.09Å; L173-I192 HydrophobicContact CD2-CD1 4.21Å; G184-I192 WeakPolarHBondContact O-CA 3.45Å; F185-I192 HydrophobicContact CD1-CG1 4.05Å; F185-I192 HydrophobicContact CE1-CD1 4.43Å; F185-I192 HydrophobicContact CE1-CG1 4.03Å; I192-F203 CarbonylContact O-C 3.5Å; I192-F203 WeakPolarHBondContact O-CA 3.35Å; I192-W204 HydrophobicContact CB-CB 4.18Å; I192-W204 PolarHBondContact N-O 2.96Å; I192-W204 PolarHBondContact O-N 2.94Å; I192-C206 WeakPolarHBondContact CD1-SG 3.24Å; I192-C206 WeakPolarHBondContact CG1-SG 3.15Å
193	I	95.8	Very high	91.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.1	165.4	-167.4	174.3	0	0	0	109.4	I183 G184 V186 L201 R202 F203 L225 T227 A232 M246	I183-I193 CarbonylContact C-O 3.52Å; I183-I193 WeakPolarHBondContact CA-O 3.29Å; G184-I193 PolarHBondContact N-O 2.96Å; G184-I193 PolarHBondContact O-N 3.08Å; V186-I193 HydrophobicContact CG2-CB 4.18Å; V186-I193 HydrophobicContact CG2-CG2 4.11Å; I193-L201 HydrophobicContact CD1-CD1 3.61Å; I193-L201 HydrophobicContact CD1-CD2 3.96Å; I193-L201 HydrophobicContact CD1-CG 3.89Å; I193-L201 HydrophobicContact CG1-CD1 3.63Å; I193-L201 HydrophobicContact CG1-CG 4.09Å; I193-R202 CarbonylContact C-O 3.55Å; I193-R202 VanDerWaalsContact CA-O 3.27Å; I193-R202 WeakPolarHBondContact CA-O 3.15Å; I193-F203 HydrophobicContact CB-CD1 4.31Å; I193-F203 HydrophobicContact CB-CE1 4.33Å; I193-F203 HydrophobicContact CD1-CD1 4.2Å; I193-F203 HydrophobicContact CD1-CE1 3.51Å; I193-F203 HydrophobicContact CD1-CE2 3.94Å; I193-F203 HydrophobicContact CD1-CZ 3.36Å; I193-F203 HydrophobicContact CG1-CD1 4.18Å; I193-F203 HydrophobicContact CG1-CE1 4Å; I193-F203 HydrophobicContact CG1-CE2 4.37Å; I193-F203 HydrophobicContact CG1-CG 4.49Å; I193-F203 HydrophobicContact CG1-CZ 4.1Å; I193-L225 HydrophobicContact CB-CD1 4.38Å; I193-L225 HydrophobicContact CD1-CD1 3.98Å; I193-L225 HydrophobicContact CG1-CD1 3.84Å; I193-L225 HydrophobicContact CG2-CD1 3.86Å; I193-L225 HydrophobicContact CG2-CD2 3.69Å; I193-L225 HydrophobicContact CG2-CG 4.4Å; I193-T227 HydrophobicContact CG2-CG2 3.8Å; I193-A232 HydrophobicContact CD1-CB 3.52Å; I193-A232 HydrophobicContact CG2-CB 4.46Å; I193-M246 HydrophobicContact CB-CE 3.94Å; I193-M246 HydrophobicContact CD1-CE 3.91Å; I193-M246 HydrophobicContact CD1-SD 3.95Å; I193-M246 HydrophobicContact CG2-CE 3.85Å
194	S	97.4	Very high	91.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.7	176.2	65.3	0	0	0	0	112.4	H176 G182 L201 R202 W204	H176-S194 PolarHBondContact NE2-OG 3.18Å; G182-S194 CarbonylContact O-C 3.45Å; G182-S194 VanDerWaalsContact O-CA 3.28Å; G182-S194 WeakPolarHBondContact O-CA 3.42Å; S194-L201 CarbonylContact O-C 3.55Å; S194-L201 WeakPolarHBondContact O-CA 3.45Å; S194-L201 WeakPolarHBondContact O-CD1 3.12Å; S194-R202 PolarHBondContact N-O 3.09Å; S194-R202 PolarHBondContact O-N 3.48Å; S194-W204 PolarHBondContact OG-NE1 2.84Å
195	C	97.6	Very high	91.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	158.7	172.3	71.9	0	0	0	0	110.5	T181 G182 L201 L222 L225 V234	T181-C195 PolarHBondContact N-O 2.95Å; T181-C195 PolarHBondContact OG1-O 2.71Å; T181-C195 PolarHBondContact OG1-SG 2.07Å; T181-C195 VanDerWaalsContact OG1-SG 3.36Å; G182-C195 WeakPolarHBondContact CA-SG 3.34Å; G182-C195 PolarHBondContact N-O 2.74Å; G182-C195 PolarHBondContact N-SG 2.82Å; G182-C195 PolarHBondContact O-N 3.31Å; C195-L201 HydrophobicContact CB-CD1 4.06Å; C195-L222 HydrophobicContact CB-CB 3.61Å; C195-L222 HydrophobicContact CB-CD1 3.62Å; C195-L222 HydrophobicContact CB-CG 4.26Å; C195-L225 HydrophobicContact CB-CB 4.39Å; C195-L225 HydrophobicContact CB-CD1 4.18Å; C195-V234 HydrophobicContact CB-CG1 4.38Å
196	S	98	Very high	91	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	158	-173.5	173.2	0	0	0	0	112.5	H176 R178 A179 D198 G199 S200 L222	H176-S196 VanDerWaalsContact CE1-CB 3.44Å; H176-S196 WeakPolarHBondContact CE1-CB 3.46Å; H176-S196 WeakPolarHBondContact ND1-CB 3.32Å; R178-S196 PolarHBondContact O-OG 2.78Å; A179-S196 VanDerWaalsContact O-CA 3.23Å; A179-S196 WeakPolarHBondContact O-CA 3.33Å; A179-S196 VanDerWaalsContact O-CB 3.23Å; A179-S196 WeakPolarHBondContact O-CB 3.28Å; A179-S196 PolarHBondContact O-OG 3.11Å; S196-D198 VanDerWaalsContact CB-OD1 3.26Å; S196-D198 WeakPolarHBondContact CB-OD1 3.29Å; S196-D198 PolarHBondContact O-N 3.21Å; S196-D198 VanDerWaalsContact O-N 3.14Å; S196-D198 VanDerWaalsContact OG-CG 3.29Å; S196-D198 PolarHBondContact OG-N 3.07Å; S196-D198 VanDerWaalsContact OG-N 3.1Å; S196-D198 PolarHBondContact OG-OD1 3.27Å; S196-G199 PolarHBondContact O-N 3.04Å; S196-S200 PolarHBondContact N-O 3.5Å; S196-L222 PolarHBondContact O-N 2.92Å
197	D	97	Very high	91.1	Very high	46 Å²	46	36.2 Å²	36.2	25%	0.246	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-10.3	166.3	-78.7	-16.1	0	0	0	113.9	R178 A179 T181 G199	R178-D197 HydrophobicContact CB-CB 3.85Å; R178-D197 WeakPolarHBondContact CD-O 3.46Å; R178-D197 PolarHBondContact NH1-O 3.03Å; A179-D197 PolarHBondContact O-N 2.87Å; A179-D197 VanDerWaalsContact O-N 3.11Å; T181-D197 WeakPolarHBondContact CG2-OD1 3.37Å; D197-G199 PolarHBondContact O-N 3.09Å
198	D	96.6	Very high	91.8	Very high	32 Å²	32	35 Å²	35	17%	0.171	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-1.6	170.3	72.1	10.9	0	0	0	113.2	H176 K177 R178 S196 S200	H176-D198 VanDerWaalsContact CA-OD2 3.27Å; H176-D198 WeakPolarHBondContact CA-OD2 3.47Å; H176-D198 IonicContact CG-OD2 3.67Å; H176-D198 IonicContact ND1-OD1 3.85Å; H176-D198 PolarHBondContact ND1-OD1 2.92Å; H176-D198 IonicContact ND1-OD2 2.7Å; H176-D198 PolarHBondContact ND1-OD2 2.82Å; K177-D198 HydrophobicContact CB-CB 4.06Å; K177-D198 PolarHBondContact N-OD2 2.98Å; R178-D198 HydrophobicContact CB-CB 4Å; R178-D198 HydrophobicContact CG-CB 4.03Å; S196-D198 VanDerWaalsContact CB-OD1 3.26Å; S196-D198 WeakPolarHBondContact CB-OD1 3.29Å; S196-D198 PolarHBondContact O-N 3.21Å; S196-D198 VanDerWaalsContact O-N 3.14Å; S196-D198 VanDerWaalsContact OG-CG 3.29Å; S196-D198 PolarHBondContact OG-N 3.07Å; S196-D198 VanDerWaalsContact OG-N 3.1Å; S196-D198 PolarHBondContact OG-OD1 3.27Å; D198-S200 VanDerWaalsContact C-N 3.32Å; D198-S200 VanDerWaalsContact CG-OG 3.24Å; D198-S200 WeakPolarHBondContact OD1-CA 3.14Å; D198-S200 VanDerWaalsContact OD1-CB 3.25Å; D198-S200 WeakPolarHBondContact OD1-CB 3.39Å; D198-S200 PolarHBondContact OD1-N 2.67Å; D198-S200 PolarHBondContact OD1-OG 3.17Å; D198-S200 PolarHBondContact OD2-OG 2.8Å
199	G	95.5	Very high	92.6	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.021	14%	0.142	C	C	.	.	S	Bend	trans	69.5	27.9	-178.7	0	0	0	0	0	113.5	S196 D197 P216 H217 E220	S196-G199 PolarHBondContact O-N 3.04Å; D197-G199 PolarHBondContact O-N 3.09Å; G199-P216 CarbonylContact O-C 3.57Å; G199-H217 WeakPolarHBondContact O-CB 3.43Å; G199-H217 PolarHBondContact O-N 2.83Å; G199-E220 WeakPolarHBondContact CA-O 3.35Å
200	S	96.4	Very high	93.6	Very high	7 Å²	7	27.5 Å²	27.5	5%	0.049	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	143	174	73	0	0	0	0	113.2	H176 S196 D198 N214 I215	H176-S200 PolarHBondContact CE1-O 3.22Å; H176-S200 PolarHBondContact CE1-OG 2.88Å; H176-S200 PolarHBondContact ND1-OG 3.4Å; S196-S200 PolarHBondContact N-O 3.5Å; D198-S200 VanDerWaalsContact C-N 3.32Å; D198-S200 VanDerWaalsContact CG-OG 3.24Å; D198-S200 WeakPolarHBondContact OD1-CA 3.14Å; D198-S200 VanDerWaalsContact OD1-CB 3.25Å; D198-S200 WeakPolarHBondContact OD1-CB 3.39Å; D198-S200 PolarHBondContact OD1-N 2.67Å; D198-S200 PolarHBondContact OD1-OG 3.17Å; D198-S200 PolarHBondContact OD2-OG 2.8Å; S200-N214 VanDerWaalsContact CB-OD1 3.3Å; S200-N214 WeakPolarHBondContact CB-OD1 3.23Å; S200-I215 WeakPolarHBondContact CA-O 3.27Å
201	L	96.9	Very high	94.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.6	167	-174.1	66.8	0	0	0	108.4	I193 S194 C195 F203 I215 L222 L225 V234 Y244	I193-L201 HydrophobicContact CD1-CD1 3.61Å; I193-L201 HydrophobicContact CD1-CD2 3.96Å; I193-L201 HydrophobicContact CD1-CG 3.89Å; I193-L201 HydrophobicContact CG1-CD1 3.63Å; I193-L201 HydrophobicContact CG1-CG 4.09Å; S194-L201 CarbonylContact O-C 3.55Å; S194-L201 WeakPolarHBondContact O-CA 3.45Å; S194-L201 WeakPolarHBondContact O-CD1 3.12Å; C195-L201 HydrophobicContact CB-CD1 4.06Å; L201-F203 HydrophobicContact CD2-CE2 4.25Å; L201-F203 HydrophobicContact CG-CE2 4.34Å; L201-I215 HydrophobicContact CB-CB 4.29Å; L201-I215 HydrophobicContact CD2-CD1 4.49Å; L201-I215 PolarHBondContact N-O 2.81Å; L201-I215 PolarHBondContact O-N 2.84Å; L201-L222 HydrophobicContact CB-CD1 4.14Å; L201-L225 HydrophobicContact CD1-CD1 3.55Å; L201-V234 HydrophobicContact CD1-CG1 3.79Å; L201-V234 HydrophobicContact CD2-CG1 4.44Å; L201-Y244 HydrophobicContact CD2-CD1 3.99Å; L201-Y244 HydrophobicContact CD2-CD2 3.45Å; L201-Y244 VanDerWaalsContact CD2-CD2 3.45Å; L201-Y244 HydrophobicContact CD2-CE1 4.14Å; L201-Y244 HydrophobicContact CD2-CE2 3.65Å; L201-Y244 HydrophobicContact CD2-CG 3.66Å
202	R	96.5	Very high	94.4	Very high	33 Å²	33	24.9 Å²	24.9	13%	0.125	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	137.6	-177.1	-69.4	-178.6	178	-106.6	2.7	111.8	G175 I193 S194 W204 C211 K213 N214	G175-R202 VanDerWaalsContact O-CZ 3.28Å; G175-R202 PolarHBondContact O-NH2 2.67Å; I193-R202 CarbonylContact C-O 3.55Å; I193-R202 VanDerWaalsContact CA-O 3.27Å; I193-R202 WeakPolarHBondContact CA-O 3.15Å; S194-R202 PolarHBondContact N-O 3.09Å; S194-R202 PolarHBondContact O-N 3.48Å; R202-W204 HydrophobicContact CB-CZ2 3.67Å; R202-W204 HydrophobicContact CG-CZ2 4.15Å; R202-W204 PolarHBondContact O-NE1 2.84Å; R202-C211 PolarHBondContact NH1-SG 2.7Å; R202-K213 WeakPolarHBondContact CA-O 3.41Å; R202-N214 HydrophobicContact CG-CB 4.45Å; R202-N214 WeakPolarHBondContact CG-OD1 3.48Å
203	F	95.2	Very high	94.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.3	170.7	-67.1	-98.6	0	0	0	109.2	I192 I193 L201 C211 I212 K213 I215 M246 Y249	I192-F203 CarbonylContact O-C 3.5Å; I192-F203 WeakPolarHBondContact O-CA 3.35Å; I193-F203 HydrophobicContact CB-CD1 4.31Å; I193-F203 HydrophobicContact CB-CE1 4.33Å; I193-F203 HydrophobicContact CD1-CD1 4.2Å; I193-F203 HydrophobicContact CD1-CE1 3.51Å; I193-F203 HydrophobicContact CD1-CE2 3.94Å; I193-F203 HydrophobicContact CD1-CZ 3.36Å; I193-F203 HydrophobicContact CG1-CD1 4.18Å; I193-F203 HydrophobicContact CG1-CE1 4Å; I193-F203 HydrophobicContact CG1-CE2 4.37Å; I193-F203 HydrophobicContact CG1-CG 4.49Å; I193-F203 HydrophobicContact CG1-CZ 4.1Å; L201-F203 HydrophobicContact CD2-CE2 4.25Å; L201-F203 HydrophobicContact CG-CE2 4.34Å; F203-C211 CarbonylContact O-C 3.55Å; F203-C211 WeakPolarHBondContact O-CA 3.32Å; F203-I212 PolarHBondContact O-N 3.22Å; F203-K213 HydrophobicContact CB-CB 4.16Å; F203-K213 HydrophobicContact CD2-CB 4.08Å; F203-K213 HydrophobicContact CD2-CG 4.42Å; F203-K213 HydrophobicContact CG-CB 4.47Å; F203-K213 PolarHBondContact N-O 3.44Å; F203-K213 PolarHBondContact O-N 2.97Å; F203-I215 HydrophobicContact CE2-CD1 3.88Å; F203-M246 HydrophobicContact CD1-CE 4.32Å; F203-M246 HydrophobicContact CE1-CE 3.62Å; F203-M246 HydrophobicContact CE1-SD 3.6Å; F203-M246 HydrophobicContact CZ-SD 4.06Å; F203-Y249 HydrophobicContact CB-CD1 4.2Å; F203-Y249 HydrophobicContact CB-CE1 4.16Å; F203-Y249 AromaticContact CD1-CD1 3.39Å; F203-Y249 HydrophobicContact CD1-CD1 3.39Å; F203-Y249 AromaticContact CD1-CE1 3.55Å; F203-Y249 HydrophobicContact CD1-CE1 3.55Å; F203-Y249 AromaticContact CD2-CD1 3.91Å; F203-Y249 HydrophobicContact CD2-CD1 3.91Å; F203-Y249 AromaticContact CE1-CD1 3.53Å; F203-Y249 HydrophobicContact CE1-CD1 3.53Å; F203-Y249 HydrophobicContact CE1-CE1 4.02Å; F203-Y249 HydrophobicContact CE2-CD1 4.07Å; F203-Y249 AromaticContact CG-CD1 3.56Å; F203-Y249 HydrophobicContact CG-CD1 3.56Å; F203-Y249 AromaticContact CG-CE1 3.89Å; F203-Y249 HydrophobicContact CG-CE1 3.89Å; F203-Y249 AromaticContact CZ-CD1 3.88Å; F203-Y249 HydrophobicContact CZ-CD1 3.88Å
204	W	95.1	Very high	94.4	Very high	1 Å²	1	33 Å²	33	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146.4	-173.8	-45.9	83.4	0	0	0	110.9	L159 L173 M174 H176 H191 I192 S194 R202 T210 C211	L159-W204 HydrophobicContact CD1-CH2 4.48Å; L159-W204 HydrophobicContact CD1-CZ2 3.77Å; L173-W204 HydrophobicContact CB-CD2 4.34Å; L173-W204 HydrophobicContact CB-CE3 3.91Å; L173-W204 HydrophobicContact CB-CH2 4.43Å; L173-W204 HydrophobicContact CB-CZ3 3.97Å; L173-W204 HydrophobicContact CD2-CB 3.65Å; L173-W204 HydrophobicContact CD2-CD2 3.76Å; L173-W204 HydrophobicContact CD2-CE3 3.92Å; L173-W204 HydrophobicContact CD2-CG 3.65Å; L173-W204 HydrophobicContact CG-CE3 4.25Å; M174-W204 WeakPolarHBondContact O-CZ3 3.36Å; H176-W204 AromaticContact CD2-CZ2 3.91Å; H191-W204 WeakPolarHBondContact CA-O 3.32Å; H191-W204 WeakPolarHBondContact CB-O 3.27Å; H191-W204 PolarHBondContact ND1-O 3.28Å; I192-W204 HydrophobicContact CB-CB 4.18Å; I192-W204 PolarHBondContact N-O 2.96Å; I192-W204 PolarHBondContact O-N 2.94Å; S194-W204 PolarHBondContact OG-NE1 2.84Å; R202-W204 HydrophobicContact CB-CZ2 3.67Å; R202-W204 HydrophobicContact CG-CZ2 4.15Å; R202-W204 PolarHBondContact O-NE1 2.84Å; W204-T210 WeakPolarHBondContact CA-O 3.44Å; W204-C211 HydrophobicContact CD2-CB 4.47Å; W204-C211 HydrophobicContact CE3-CB 3.79Å; W204-C211 HydrophobicContact CH2-CB 4.36Å; W204-C211 HydrophobicContact CZ3-CB 3.73Å
205	D	91.8	Very high	94.3	Very high	44 Å²	44	34.2 Å²	34.2	24%	0.235	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	122.9	164.7	-171.7	149.2	0	0	0	108.9	G207 S208 A209 T210 I212	D205-G207 VanDerWaalsContact C-N 3.29Å; D205-G207 PolarHBondContact O-N 3.42Å; D205-G207 PolarHBondContact OD2-N 2.86Å; D205-S208 WeakPolarHBondContact CB-OG 3.5Å; D205-A209 VanDerWaalsContact O-CA 3.23Å; D205-A209 WeakPolarHBondContact O-CA 3.32Å; D205-A209 PolarHBondContact O-N 3.08Å; D205-T210 PolarHBondContact N-O 2.89Å; D205-I212 HydrophobicContact CB-CD1 3.88Å; D205-I212 HydrophobicContact CB-CG1 4.06Å
206	C	86.9	Confident	94.1	Very high	29 Å²	29	38.6 Å²	38.6	20%	0.196	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-35.3	177.9	-68.9	0	0	0	0	112.9	G189 R190 I192	G189-C206 PolarHBondContact O-SG 2.92Å; R190-C206 WeakPolarHBondContact O-CB 3.2Å; R190-C206 PolarHBondContact O-N 3.46Å; R190-C206 PolarHBondContact O-SG 3.47Å; R190-C206 VanDerWaalsContact O-SG 3.4Å; I192-C206 WeakPolarHBondContact CD1-SG 3.24Å; I192-C206 WeakPolarHBondContact CG1-SG 3.15Å
207	G	86.2	Confident	93.8	Very high	52 Å²	52	39.2 Å²	39.2	54%	0.536	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-49.3	-174	0	0	0	0	0	112.3	D205	D205-G207 VanDerWaalsContact C-N 3.29Å; D205-G207 PolarHBondContact O-N 3.42Å; D205-G207 PolarHBondContact OD2-N 2.86Å
208	S	90.4	Very high	93.3	Very high	61 Å²	61	45 Å²	45	43%	0.427	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-13.2	179.6	62.6	0	0	0	0	113.8	D205 T210	D205-S208 WeakPolarHBondContact CB-OG 3.5Å; S208-T210 PolarHBondContact O-N 3.1Å; S208-T210 PolarHBondContact OG-OG1 3.36Å
209	A	91	Very high	92.5	Very high	22 Å²	22	46.1 Å²	46.1	18%	0.182	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	30.1	-172.6	0	0	0	0	0	113.7	R171 L173 D205	R171-A209 HydrophobicContact CB-CB 4.17Å; R171-A209 HydrophobicContact CG-CB 4.2Å; L173-A209 HydrophobicContact CD1-CB 4.23Å; L173-A209 HydrophobicContact CG-CB 4.16Å; D205-A209 VanDerWaalsContact O-CA 3.23Å; D205-A209 WeakPolarHBondContact O-CA 3.32Å; D205-A209 PolarHBondContact O-N 3.08Å
210	T	94.2	Very high	92.2	Very high	75 Å²	75	47.5 Å²	47.5	46%	0.46	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	145.8	-179.9	58.1	0	0	0	0	112	W204 D205 S208 I212	W204-T210 WeakPolarHBondContact CA-O 3.44Å; D205-T210 PolarHBondContact N-O 2.89Å; S208-T210 PolarHBondContact O-N 3.1Å; S208-T210 PolarHBondContact OG-OG1 3.36Å; T210-I212 PolarHBondContact O-N 3.01Å
211	C	95.2	Very high	91.9	Very high	47 Å²	47	48.6 Å²	48.6	32%	0.318	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	118.1	171.2	-174.3	0	0	0	0	109.9	R202 F203 W204 K213	R202-C211 PolarHBondContact NH1-SG 2.7Å; F203-C211 CarbonylContact O-C 3.55Å; F203-C211 WeakPolarHBondContact O-CA 3.32Å; W204-C211 HydrophobicContact CD2-CB 4.47Å; W204-C211 HydrophobicContact CE3-CB 3.79Å; W204-C211 HydrophobicContact CH2-CB 4.36Å; W204-C211 HydrophobicContact CZ3-CB 3.73Å; C211-K213 PolarHBondContact SG-O 3.3Å; C211-K213 VanDerWaalsContact SG-O 3.39Å
212	I	93.9	Very high	91.6	Very high	72 Å²	72	48.6 Å²	48.6	37%	0.369	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-44.8	176.8	-56.3	169.5	0	0	0	110.1	H191 F203 D205 T210	H191-I212 WeakPolarHBondContact ND1-CD1 3.33Å; F203-I212 PolarHBondContact O-N 3.22Å; D205-I212 HydrophobicContact CB-CD1 3.88Å; D205-I212 HydrophobicContact CB-CG1 4.06Å; T210-I212 PolarHBondContact O-N 3.01Å
213	K	94.6	Very high	91.2	Very high	99 Å²	99	48.3 Å²	48.3	43%	0.43	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	139.7	-175.5	-173.3	73.2	174.8	-168.1	0	110.2	R202 F203 C211 I215 Y249	R202-K213 WeakPolarHBondContact CA-O 3.41Å; F203-K213 HydrophobicContact CB-CB 4.16Å; F203-K213 HydrophobicContact CD2-CB 4.08Å; F203-K213 HydrophobicContact CD2-CG 4.42Å; F203-K213 HydrophobicContact CG-CB 4.47Å; F203-K213 PolarHBondContact N-O 3.44Å; F203-K213 PolarHBondContact O-N 2.97Å; C211-K213 PolarHBondContact SG-O 3.3Å; C211-K213 VanDerWaalsContact SG-O 3.39Å; K213-I215 HydrophobicContact CG-CD1 4.46Å; K213-I215 HydrophobicContact CG-CG1 4.05Å; K213-Y249 HydrophobicContact CB-CG 4.46Å
214	N	95.3	Very high	91.2	Very high	70 Å²	70	49.1 Å²	49.1	37%	0.374	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.8	173	179.4	46.5	0	0	0	108.9	S200 R202	S200-N214 VanDerWaalsContact CB-OD1 3.3Å; S200-N214 WeakPolarHBondContact CB-OD1 3.23Å; R202-N214 HydrophobicContact CG-CB 4.45Å; R202-N214 WeakPolarHBondContact CG-OD1 3.48Å
215	I	95.6	Very high	91.2	Very high	27 Å²	27	49.8 Å²	49.8	14%	0.138	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	107.9	-178.9	-53.6	177.7	0	0	0	107.7	S200 L201 F203 K213 Y244 Y249	S200-I215 WeakPolarHBondContact CA-O 3.27Å; L201-I215 HydrophobicContact CB-CB 4.29Å; L201-I215 HydrophobicContact CD2-CD1 4.49Å; L201-I215 PolarHBondContact N-O 2.81Å; L201-I215 PolarHBondContact O-N 2.84Å; F203-I215 HydrophobicContact CE2-CD1 3.88Å; K213-I215 HydrophobicContact CG-CD1 4.46Å; K213-I215 HydrophobicContact CG-CG1 4.05Å; I215-Y244 HydrophobicContact CD1-CD1 3.77Å; I215-Y244 HydrophobicContact CD1-CE1 3.8Å; I215-Y244 HydrophobicContact CG2-CE1 4.06Å; I215-Y249 VanDerWaalsContact CD1-O 3.3Å; I215-Y249 WeakPolarHBondContact CD1-O 3.28Å
216	P	94.2	Very high	91.4	Very high	91 Å²	91	47.9 Å²	47.9	59%	0.591	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	149.4	177	32.6	-33.6	0	0	0	111.8	G199	G199-P216 CarbonylContact O-C 3.57Å
217	H	92.2	Very high	91.7	Very high	14 Å²	14	48.4 Å²	48.4	7%	0.065	31%	0.305	C	S	.	.			trans	-121	42.3	174.7	-69.5	-117.4	0	0	0	110.7	G199 G219 E220 R242 Y244	G199-H217 WeakPolarHBondContact O-CB 3.43Å; G199-H217 PolarHBondContact O-N 2.83Å; H217-G219 PolarHBondContact O-N 2.96Å; H217-E220 HydrophobicContact CB-CB 4.33Å; H217-E220 VanDerWaalsContact O-CB 3.24Å; H217-E220 WeakPolarHBondContact O-CB 3.38Å; H217-E220 PolarHBondContact O-N 2.85Å; H217-R242 PolarHBondContact ND1-NH1 3.49Å; H217-Y244 AromaticContact CE1-CZ 3.79Å; H217-Y244 PolarHBondContact CE1-OH 2.91Å; H217-Y244 AromaticContact NE2-CZ 3.78Å; H217-Y244 PolarHBondContact NE2-OH 2.64Å
218	D	85.4	Confident	91.7	Very high	168 Å²	168	47.7 Å²	47.7	90%	0.898	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	30.9	173.6	-56.6	-35	0	0	0	115.4
219	G	80.4	Confident	91.4	Very high	55 Å²	55	47.8 Å²	47.8	57%	0.567	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	3.2	178.8	0	0	0	0	0	115.3	H217 C221	H217-G219 PolarHBondContact O-N 2.96Å; G219-C221 PolarHBondContact O-N 2.89Å
220	E	89.2	Confident	91.2	Very high	30 Å²	30	54.6 Å²	54.6	14%	0.14	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-67.4	122	173	-172.7	-175.4	-170.6	0	0	111	G199 H217 L222 S236 G238 F240 R242	G199-E220 WeakPolarHBondContact CA-O 3.35Å; H217-E220 HydrophobicContact CB-CB 4.33Å; H217-E220 VanDerWaalsContact O-CB 3.24Å; H217-E220 WeakPolarHBondContact O-CB 3.38Å; H217-E220 PolarHBondContact O-N 2.85Å; E220-L222 PolarHBondContact O-N 3.38Å; E220-S236 VanDerWaalsContact CD-CB 3.41Å; E220-S236 WeakPolarHBondContact OE1-CB 3.35Å; E220-S236 PolarHBondContact OE1-OG 2.9Å; E220-G238 WeakPolarHBondContact OE1-CA 3.32Å; E220-G238 PolarHBondContact OE1-N 3.47Å; E220-F240 VanDerWaalsContact OE1-CD2 3.31Å; E220-F240 WeakPolarHBondContact OE1-CD2 3.37Å; E220-R242 IonicContact OE2-CZ 2.79Å; E220-R242 IonicContact OE2-NH1 3.34Å; E220-R242 PolarHBondContact OE2-NH1 2.9Å; E220-R242 IonicContact OE2-NH2 3.87Å; E220-R242 PolarHBondContact OE2-NH2 2.75Å
221	C	90.5	Very high	91.2	Very high	30 Å²	30	52.5 Å²	52.5	20%	0.203	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-63.2	126.5	178.3	-64	0	0	0	0	110.8	G219 S236 S237	G219-C221 PolarHBondContact O-N 2.89Å; C221-S236 VanDerWaalsContact O-CA 3.29Å; C221-S236 WeakPolarHBondContact O-CA 3.45Å; C221-S236 WeakPolarHBondContact O-CB 3.32Å; C221-S237 PolarHBondContact O-N 2.92Å
222	L	89.5	Confident	91.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	116.1	170.5	-58.5	-178.2	0	0	0	107.8	T181 C195 S196 L201 E220 V234	T181-L222 WeakPolarHBondContact CB-O 3.42Å; T181-L222 PolarHBondContact OG1-O 3.47Å; C195-L222 HydrophobicContact CB-CB 3.61Å; C195-L222 HydrophobicContact CB-CD1 3.62Å; C195-L222 HydrophobicContact CB-CG 4.26Å; S196-L222 PolarHBondContact O-N 2.92Å; L201-L222 HydrophobicContact CB-CD1 4.14Å; E220-L222 PolarHBondContact O-N 3.38Å; L222-V234 HydrophobicContact CD2-CG2 4.34Å
223	A	89.7	Confident	91.2	Very high	28 Å²	28	46.9 Å²	46.9	23%	0.231	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-35.2	-171.5	0	0	0	0	0	112.7	A235 L261 N262	A223-A235 PolarHBondContact N-O 3.36Å; A223-L261 VanDerWaalsContact CB-O 3.25Å; A223-L261 WeakPolarHBondContact CB-O 3.25Å; A223-N262 WeakPolarHBondContact CB-O 3.43Å
224	S	94	Very high	91.3	Very high	16 Å²	16	42.2 Å²	42.2	11%	0.112	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	160	-178.9	60.9	0	0	0	0	112.4	V234 A235 N262 A263 C264	S224-V234 WeakPolarHBondContact O-CA 3.45Å; S224-A235 PolarHBondContact N-O 3Å; S224-A235 PolarHBondContact O-N 2.75Å; S224-A235 WeakPolarHBondContact OG-CB 3.45Å; S224-N262 WeakPolarHBondContact CB-O 3.47Å; S224-N262 PolarHBondContact OG-O 3.01Å; S224-A263 VanDerWaalsContact OG-C 3.24Å; S224-A263 WeakPolarHBondContact OG-CA 3.36Å; S224-C264 PolarHBondContact OG-N 3.26Å; S224-C264 PolarHBondContact OG-SG 3.07Å; S224-C264 VanDerWaalsContact OG-SG 3.37Å
225	L	95.7	Very high	91.3	Very high	15 Å²	15	38.9 Å²	38.9	8%	0.079	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	138	179.1	178.9	149.5	0	0	0	110.4	I193 C195 L201 T227 V233 V234	I193-L225 HydrophobicContact CB-CD1 4.38Å; I193-L225 HydrophobicContact CD1-CD1 3.98Å; I193-L225 HydrophobicContact CG1-CD1 3.84Å; I193-L225 HydrophobicContact CG2-CD1 3.86Å; I193-L225 HydrophobicContact CG2-CD2 3.69Å; I193-L225 HydrophobicContact CG2-CG 4.4Å; C195-L225 HydrophobicContact CB-CB 4.39Å; C195-L225 HydrophobicContact CB-CD1 4.18Å; L201-L225 HydrophobicContact CD1-CD1 3.55Å; L225-T227 HydrophobicContact CD2-CG2 3.82Å; L225-V233 WeakPolarHBondContact CA-O 3.32Å; L225-V234 HydrophobicContact CB-CG1 4.21Å; L225-V234 HydrophobicContact CD1-CG1 3.81Å; L225-V234 HydrophobicContact CG-CG1 4.12Å
226	T	95	Very high	91.3	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.7	172.9	-171.4	0	0	0	0	110.3	A232 V233 E265 F266	T226-A232 WeakPolarHBondContact O-CA 3.48Å; T226-V233 HydrophobicContact CG2-CB 3.93Å; T226-V233 PolarHBondContact N-O 3.39Å; T226-V233 PolarHBondContact O-N 3.42Å; T226-E265 WeakPolarHBondContact CB-OE2 3.42Å; T226-E265 PolarHBondContact OG1-OE2 3.37Å; T226-F266 HydrophobicContact CG2-CD2 3.49Å; T226-F266 VanDerWaalsContact CG2-CD2 3.49Å; T226-F266 HydrophobicContact CG2-CE2 3.87Å; T226-F266 HydrophobicContact CG2-CG 4.34Å; T226-F266 PolarHBondContact OG1-N 2.68Å
227	T	93.2	Very high	91.2	Very high	40 Å²	40	35.9 Å²	35.9	25%	0.245	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.4	-177.9	64.8	0	0	0	0	112.4	F185 I193 L225 A232 F266	F185-T227 PolarHBondContact O-OG1 2.88Å; I193-T227 HydrophobicContact CG2-CG2 3.8Å; L225-T227 HydrophobicContact CD2-CG2 3.82Å; T227-A232 HydrophobicContact CG2-CB 4.12Å; T227-F266 VanDerWaalsContact C-CD2 3.48Å
228	G	87.1	Confident	91.1	Very high	36 Å²	36	37.1 Å²	37.1	37%	0.371	25%	0.25	S	C	.	.			trans	-119.8	51.6	-176.9	0	0	0	0	0	112.1	K230 V231	G228-K230 PolarHBondContact O-N 2.86Å; G228-V231 PolarHBondContact N-O 2.83Å
229	G	83	Confident	91.3	Very high	64 Å²	64	29.1 Å²	29.1	66%	0.66	21%	0.207	S	C	*	.	S	Bend	trans	71.5	-57.6	177.7	0	0	0	0	0	115.3
230	K	88.1	Confident	91.9	Very high	165 Å²	165	29 Å²	29	72%	0.717	19%	0.191	S	C	*	.	S	Bend	trans	-114.5	-12.5	179.7	-63.9	-178.9	-176.8	174.7	0	113.9	G228 M246	G228-K230 PolarHBondContact O-N 2.86Å; K230-M246 VanDerWaalsContact C-CG 3.42Å; K230-M246 VanDerWaalsContact O-CB 3.29Å; K230-M246 WeakPolarHBondContact O-CB 3.42Å; K230-M246 WeakPolarHBondContact O-CG 3.4Å; K230-M246 PolarHBondContact O-N 2.91Å
231	V	92.8	Very high	92.1	Very high	31 Å²	31	27.6 Å²	27.6	19%	0.188	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.5	-175.5	-179	0	0	0	0	108.9	G228 V233 Y244 F266 L285	G228-V231 PolarHBondContact N-O 2.83Å; V231-V233 HydrophobicContact CG1-CG2 4.2Å; V231-Y244 WeakPolarHBondContact CA-O 3.35Å; V231-F266 HydrophobicContact CB-CZ 4.23Å; V231-F266 HydrophobicContact CG1-CZ 4.17Å; V231-L285 HydrophobicContact CG1-CD1 4.3Å
232	A	94.6	Very high	92.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	147	162.3	0	0	0	0	0	109.6	I193 T226 T227 S243 Y244 M246	I193-A232 HydrophobicContact CD1-CB 3.52Å; I193-A232 HydrophobicContact CG2-CB 4.46Å; T226-A232 WeakPolarHBondContact O-CA 3.48Å; T227-A232 HydrophobicContact CG2-CB 4.12Å; A232-S243 CarbonylContact O-C 3.57Å; A232-S243 WeakPolarHBondContact O-CA 3.36Å; A232-Y244 PolarHBondContact N-O 2.98Å; A232-Y244 PolarHBondContact O-N 2.92Å; A232-M246 HydrophobicContact CB-CE 4Å; A232-M246 HydrophobicContact CB-CG 4.44Å; A232-M246 HydrophobicContact CB-SD 3.25Å; A232-M246 WeakPolarHBondContact CB-SD 3.29Å; A232-M246 PolarHBondContact N-SD 2.87Å; A232-M246 VanDerWaalsContact N-SD 3.42Å
233	V	95.8	Very high	92.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	136.8	175.7	176.5	0	0	0	0	108.8	L225 T226 V231 I241 R242 F266 V272 L285	L225-V233 WeakPolarHBondContact CA-O 3.32Å; T226-V233 HydrophobicContact CG2-CB 3.93Å; T226-V233 PolarHBondContact N-O 3.39Å; T226-V233 PolarHBondContact O-N 3.42Å; V231-V233 HydrophobicContact CG1-CG2 4.2Å; V233-I241 HydrophobicContact CG1-CG2 3.7Å; V233-R242 CarbonylContact C-O 3.47Å; V233-R242 VanDerWaalsContact CA-O 3.3Å; V233-R242 WeakPolarHBondContact CA-O 3.43Å; V233-F266 HydrophobicContact CB-CE2 4.12Å; V233-F266 HydrophobicContact CB-CZ 4.27Å; V233-F266 HydrophobicContact CG2-CE1 4.21Å; V233-F266 HydrophobicContact CG2-CE2 3.73Å; V233-F266 HydrophobicContact CG2-CZ 3.39Å; V233-V272 HydrophobicContact CB-CG2 4.46Å; V233-V272 HydrophobicContact CG1-CG1 4.03Å; V233-V272 HydrophobicContact CG1-CG2 4.34Å; V233-V272 HydrophobicContact CG2-CG2 4Å; V233-L285 HydrophobicContact CG2-CD1 3.8Å; V233-L285 HydrophobicContact CG2-CD2 4.35Å
234	V	96.5	Very high	92.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141.1	177.6	-64.2	0	0	0	0	110.1	C195 L201 L222 S224 L225 I241 R242 Y244	C195-V234 HydrophobicContact CB-CG1 4.38Å; L201-V234 HydrophobicContact CD1-CG1 3.79Å; L201-V234 HydrophobicContact CD2-CG1 4.44Å; L222-V234 HydrophobicContact CD2-CG2 4.34Å; S224-V234 WeakPolarHBondContact O-CA 3.45Å; L225-V234 HydrophobicContact CB-CG1 4.21Å; L225-V234 HydrophobicContact CD1-CG1 3.81Å; L225-V234 HydrophobicContact CG-CG1 4.12Å; V234-I241 WeakPolarHBondContact O-CA 3.41Å; V234-R242 HydrophobicContact CG2-CB 3.9Å; V234-R242 PolarHBondContact N-O 3.33Å; V234-R242 PolarHBondContact O-N 3.5Å; V234-Y244 HydrophobicContact CG2-CD2 4.43Å; V234-Y244 HydrophobicContact CG2-CE2 3.85Å
235	A	95.4	Very high	92.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	145.3	169.3	0	0	0	0	0	110	A223 S224 F240 I241 L261 C264	A223-A235 PolarHBondContact N-O 3.36Å; S224-A235 PolarHBondContact N-O 3Å; S224-A235 PolarHBondContact O-N 2.75Å; S224-A235 WeakPolarHBondContact OG-CB 3.45Å; A235-F240 WeakPolarHBondContact CA-O 3.37Å; A235-I241 HydrophobicContact CB-CD1 3.54Å; A235-L261 HydrophobicContact CB-CB 3.82Å; A235-L261 HydrophobicContact CB-CD1 4.34Å; A235-C264 HydrophobicContact CB-CB 3.91Å
236	S	94.6	Very high	92.4	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	157.3	-172.1	63.3	0	0	0	0	113.4	E220 C221 G238 G239 F240 L261	E220-S236 VanDerWaalsContact CD-CB 3.41Å; E220-S236 WeakPolarHBondContact OE1-CB 3.35Å; E220-S236 PolarHBondContact OE1-OG 2.9Å; C221-S236 VanDerWaalsContact O-CA 3.29Å; C221-S236 WeakPolarHBondContact O-CA 3.45Å; C221-S236 WeakPolarHBondContact O-CB 3.32Å; S236-G238 PolarHBondContact O-N 3.38Å; S236-G239 PolarHBondContact O-N 2.94Å; S236-F240 PolarHBondContact N-O 3.46Å; S236-F240 VanDerWaalsContact N-O 3.14Å; S236-F240 WeakPolarHBondContact OG-CB 3.21Å; S236-F240 PolarHBondContact OG-N 2.88Å; S236-F240 VanDerWaalsContact OG-N 3.17Å; S236-F240 PolarHBondContact OG-O 2.78Å; S236-L261 CarbonylContact C-O 3.6Å; S236-L261 PolarHBondContact O-N 3.11Å; S236-L261 VanDerWaalsContact O-N 3.11Å
237	S	91.7	Very high	92	Very high	54 Å²	54	37.2 Å²	37.2	38%	0.378	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.6	-179	64.7	0	0	0	0	113.7	C221 G239 S260	C221-S237 PolarHBondContact O-N 2.92Å; S237-G239 PolarHBondContact O-N 2.83Å; S237-S260 WeakPolarHBondContact CA-OG 3.48Å; S237-S260 WeakPolarHBondContact O-CA 3.42Å; S237-S260 WeakPolarHBondContact O-CB 3.29Å; S237-S260 PolarHBondContact O-OG 2.98Å
238	G	90.6	Very high	91.9	Very high	40 Å²	40	37.9 Å²	37.9	41%	0.412	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	4.8	171.2	0	0	0	0	0	113.4	E220 S236 F240	E220-G238 WeakPolarHBondContact OE1-CA 3.32Å; E220-G238 PolarHBondContact OE1-N 3.47Å; S236-G238 PolarHBondContact O-N 3.38Å; G238-F240 WeakPolarHBondContact O-CD2 3.3Å; G238-F240 WeakPolarHBondContact O-CE2 3.25Å
239	G	90.4	Very high	92.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	82.8	26.4	172.7	0	0	0	0	0	114.9	S236 S237 L257 S259	S236-G239 PolarHBondContact O-N 2.94Å; S237-G239 PolarHBondContact O-N 2.83Å; G239-L257 PolarHBondContact O-N 3.26Å; G239-S259 WeakPolarHBondContact CA-O 3.31Å
240	F	92.3	Very high	92.6	Very high	53 Å²	53	41.9 Å²	41.9	23%	0.232	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	139.9	178.1	-65.6	-94.6	0	0	0	111.6	E220 A235 S236 G238 E254 M255	E220-F240 VanDerWaalsContact OE1-CD2 3.31Å; E220-F240 WeakPolarHBondContact OE1-CD2 3.37Å; A235-F240 WeakPolarHBondContact CA-O 3.37Å; S236-F240 PolarHBondContact N-O 3.46Å; S236-F240 VanDerWaalsContact N-O 3.14Å; S236-F240 WeakPolarHBondContact OG-CB 3.21Å; S236-F240 PolarHBondContact OG-N 2.88Å; S236-F240 VanDerWaalsContact OG-N 3.17Å; S236-F240 PolarHBondContact OG-O 2.78Å; G238-F240 WeakPolarHBondContact O-CD2 3.3Å; G238-F240 WeakPolarHBondContact O-CE2 3.25Å; F240-E254 HydrophobicContact CD1-CG 4.05Å; F240-M255 WeakPolarHBondContact CA-O 3.39Å
241	I	93	Very high	92.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.7	159.1	-69.7	-64.2	0	0	0	107.8	V233 V234 A235 F253 E254 M255 L257 L261 C264 C274	V233-I241 HydrophobicContact CG1-CG2 3.7Å; V234-I241 WeakPolarHBondContact O-CA 3.41Å; A235-I241 HydrophobicContact CB-CD1 3.54Å; I241-F253 HydrophobicContact CG2-CE1 4.45Å; I241-E254 CarbonylContact O-C 3.56Å; I241-E254 WeakPolarHBondContact O-CA 3.44Å; I241-M255 PolarHBondContact N-O 2.96Å; I241-M255 PolarHBondContact O-N 2.77Å; I241-L257 HydrophobicContact CG1-CD1 4.12Å; I241-L261 HydrophobicContact CD1-CD1 3.68Å; I241-L261 HydrophobicContact CG1-CD1 3.56Å; I241-C264 HydrophobicContact CD1-CB 4.01Å; I241-C274 HydrophobicContact CD1-CB 3.58Å; I241-C274 HydrophobicContact CG1-CB 3.96Å
242	R	94.6	Very high	92.9	Very high	23 Å²	23	40.7 Å²	40.7	9%	0.087	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141	175.2	-66.9	174.9	-176.2	105.1	-3.1	110.2	H217 E220 V233 V234 Y244 K251 F253 E254	H217-R242 PolarHBondContact ND1-NH1 3.49Å; E220-R242 IonicContact OE2-CZ 2.79Å; E220-R242 IonicContact OE2-NH1 3.34Å; E220-R242 PolarHBondContact OE2-NH1 2.9Å; E220-R242 IonicContact OE2-NH2 3.87Å; E220-R242 PolarHBondContact OE2-NH2 2.75Å; V233-R242 CarbonylContact C-O 3.47Å; V233-R242 VanDerWaalsContact CA-O 3.3Å; V233-R242 WeakPolarHBondContact CA-O 3.43Å; V234-R242 HydrophobicContact CG2-CB 3.9Å; V234-R242 PolarHBondContact N-O 3.33Å; V234-R242 PolarHBondContact O-N 3.5Å; R242-Y244 HydrophobicContact CB-CE2 3.7Å; R242-K251 HydrophobicContact CG-CD 4.32Å; R242-F253 VanDerWaalsContact CA-O 3.28Å; R242-F253 WeakPolarHBondContact CA-O 3.27Å; R242-E254 WeakPolarHBondContact CD-OE2 3.39Å; R242-E254 HydrophobicContact CG-CB 4.08Å; R242-E254 HydrophobicContact CG-CG 3.86Å; R242-E254 IonicContact CZ-OE2 2.73Å; R242-E254 IonicContact NE-OE2 3.35Å; R242-E254 PolarHBondContact NE-OE2 3.39Å; R242-E254 IonicContact NH2-OE2 3.5Å
243	S	94.9	Very high	92.8	Very high	4 Å²	4	40.9 Å²	40.9	3%	0.028	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	149	171.7	82.8	0	0	0	0	111.8	A232 K251 S252 F253	A232-S243 CarbonylContact O-C 3.57Å; A232-S243 WeakPolarHBondContact O-CA 3.36Å; S243-K251 CarbonylContact O-C 3.58Å; S243-K251 WeakPolarHBondContact O-CA 3.21Å; S243-S252 PolarHBondContact O-N 3.2Å; S243-S252 PolarHBondContact O-OG 2.79Å; S243-S252 PolarHBondContact OG-OG 3.03Å; S243-F253 PolarHBondContact N-O 2.8Å; S243-F253 PolarHBondContact O-N 3.2Å; S243-F253 WeakPolarHBondContact OG-CB 3.37Å; S243-F253 PolarHBondContact OG-N 2.94Å
244	Y	94.6	Very high	92.6	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.027	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131.3	-179.1	-67.2	-93.5	0	0	0	109.4	L201 I215 H217 V231 A232 V234 R242 M246 E250 K251	L201-Y244 HydrophobicContact CD2-CD1 3.99Å; L201-Y244 HydrophobicContact CD2-CD2 3.45Å; L201-Y244 VanDerWaalsContact CD2-CD2 3.45Å; L201-Y244 HydrophobicContact CD2-CE1 4.14Å; L201-Y244 HydrophobicContact CD2-CE2 3.65Å; L201-Y244 HydrophobicContact CD2-CG 3.66Å; I215-Y244 HydrophobicContact CD1-CD1 3.77Å; I215-Y244 HydrophobicContact CD1-CE1 3.8Å; I215-Y244 HydrophobicContact CG2-CE1 4.06Å; H217-Y244 AromaticContact CE1-CZ 3.79Å; H217-Y244 PolarHBondContact CE1-OH 2.91Å; H217-Y244 AromaticContact NE2-CZ 3.78Å; H217-Y244 PolarHBondContact NE2-OH 2.64Å; V231-Y244 WeakPolarHBondContact CA-O 3.35Å; A232-Y244 PolarHBondContact N-O 2.98Å; A232-Y244 PolarHBondContact O-N 2.92Å; V234-Y244 HydrophobicContact CG2-CD2 4.43Å; V234-Y244 HydrophobicContact CG2-CE2 3.85Å; R242-Y244 HydrophobicContact CB-CE2 3.7Å; Y244-M246 PolarHBondContact O-N 2.83Å; Y244-E250 CarbonylContact C-O 3.45Å; Y244-E250 WeakPolarHBondContact CA-O 3.45Å; Y244-K251 HydrophobicContact CD1-CB 4.12Å; Y244-K251 HydrophobicContact CE1-CB 3.69Å; Y244-K251 HydrophobicContact CE1-CG 4.16Å
245	D	92.1	Very high	92.4	Very high	51 Å²	51	45 Å²	45	27%	0.273	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	126.9	169.5	-178.1	-83.2	0	0	0	109.2	R247 S248 Y249 E250	D245-R247 PolarHBondContact O-N 3.32Å; D245-R247 WeakPolarHBondContact OD1-CA 3.44Å; D245-R247 WeakPolarHBondContact OD1-CB 3.46Å; D245-R247 PolarHBondContact OD1-N 3Å; D245-S248 PolarHBondContact OD1-N 3.15Å; D245-S248 PolarHBondContact OD1-OG 2.96Å; D245-Y249 WeakPolarHBondContact O-CA 3.16Å; D245-Y249 PolarHBondContact O-N 3.47Å; D245-E250 PolarHBondContact N-O 3.18Å
246	M	89.3	Confident	92.1	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.03	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-8.2	-171.4	-60.5	-58.5	-76.8	0	0	113.6	V186 I193 F203 K230 A232 Y244 Y249	V186-M246 HydrophobicContact CB-CE 3.75Å; V186-M246 HydrophobicContact CG1-CB 3.65Å; V186-M246 HydrophobicContact CG1-CE 3.38Å; V186-M246 HydrophobicContact CG1-CG 4.19Å; V186-M246 HydrophobicContact CG2-CE 3Å; I193-M246 HydrophobicContact CB-CE 3.94Å; I193-M246 HydrophobicContact CD1-CE 3.91Å; I193-M246 HydrophobicContact CD1-SD 3.95Å; I193-M246 HydrophobicContact CG2-CE 3.85Å; F203-M246 HydrophobicContact CD1-CE 4.32Å; F203-M246 HydrophobicContact CE1-CE 3.62Å; F203-M246 HydrophobicContact CE1-SD 3.6Å; F203-M246 HydrophobicContact CZ-SD 4.06Å; K230-M246 VanDerWaalsContact C-CG 3.42Å; K230-M246 VanDerWaalsContact O-CB 3.29Å; K230-M246 WeakPolarHBondContact O-CB 3.42Å; K230-M246 WeakPolarHBondContact O-CG 3.4Å; K230-M246 PolarHBondContact O-N 2.91Å; A232-M246 HydrophobicContact CB-CE 4Å; A232-M246 HydrophobicContact CB-CG 4.44Å; A232-M246 HydrophobicContact CB-SD 3.25Å; A232-M246 WeakPolarHBondContact CB-SD 3.29Å; A232-M246 PolarHBondContact N-SD 2.87Å; A232-M246 VanDerWaalsContact N-SD 3.42Å; Y244-M246 PolarHBondContact O-N 2.83Å; M246-Y249 WeakPolarHBondContact O-CE1 3.32Å
247	R	88.4	Confident	91.6	Very high	206 Å²	206	49.7 Å²	49.7	78%	0.777	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-42.6	179.3	-174	178.1	-179.2	165.4	1.3	111.7	D245	D245-R247 PolarHBondContact O-N 3.32Å; D245-R247 WeakPolarHBondContact OD1-CA 3.44Å; D245-R247 WeakPolarHBondContact OD1-CB 3.46Å; D245-R247 PolarHBondContact OD1-N 3Å
248	S	90.9	Very high	90.7	Very high	54 Å²	54	51.9 Å²	51.9	38%	0.378	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-19.1	175.9	69.7	0	0	0	0	113.2	D245 E250	D245-S248 PolarHBondContact OD1-N 3.15Å; D245-S248 PolarHBondContact OD1-OG 2.96Å; S248-E250 PolarHBondContact O-N 3.36Å; S248-E250 WeakPolarHBondContact OG-CB 3.41Å; S248-E250 PolarHBondContact OG-N 3.16Å
249	Y	91.1	Very high	90.2	Very high	50 Å²	50	51.5 Å²	51.5	20%	0.196	27%	0.271	C	S	.	.			trans	62.5	22.8	-171.9	-43.3	-70.6	0	0	0	113.4	F203 K213 I215 D245 M246	F203-Y249 HydrophobicContact CB-CD1 4.2Å; F203-Y249 HydrophobicContact CB-CE1 4.16Å; F203-Y249 AromaticContact CD1-CD1 3.39Å; F203-Y249 HydrophobicContact CD1-CD1 3.39Å; F203-Y249 AromaticContact CD1-CE1 3.55Å; F203-Y249 HydrophobicContact CD1-CE1 3.55Å; F203-Y249 AromaticContact CD2-CD1 3.91Å; F203-Y249 HydrophobicContact CD2-CD1 3.91Å; F203-Y249 AromaticContact CE1-CD1 3.53Å; F203-Y249 HydrophobicContact CE1-CD1 3.53Å; F203-Y249 HydrophobicContact CE1-CE1 4.02Å; F203-Y249 HydrophobicContact CE2-CD1 4.07Å; F203-Y249 AromaticContact CG-CD1 3.56Å; F203-Y249 HydrophobicContact CG-CD1 3.56Å; F203-Y249 AromaticContact CG-CE1 3.89Å; F203-Y249 HydrophobicContact CG-CE1 3.89Å; F203-Y249 AromaticContact CZ-CD1 3.88Å; F203-Y249 HydrophobicContact CZ-CD1 3.88Å; K213-Y249 HydrophobicContact CB-CG 4.46Å; I215-Y249 VanDerWaalsContact CD1-O 3.3Å; I215-Y249 WeakPolarHBondContact CD1-O 3.28Å; D245-Y249 WeakPolarHBondContact O-CA 3.16Å; D245-Y249 PolarHBondContact O-N 3.47Å; M246-Y249 WeakPolarHBondContact O-CE1 3.32Å
250	E	92.7	Very high	90.2	Very high	133 Å²	133	53 Å²	53	62%	0.621	28%	0.282	S	S	*	.			trans	-101.5	148.7	-178.7	-63.7	-178.4	161.7	0	0	111.3	Y244 D245 S248 S252	Y244-E250 CarbonylContact C-O 3.45Å; Y244-E250 WeakPolarHBondContact CA-O 3.45Å; D245-E250 PolarHBondContact N-O 3.18Å; S248-E250 PolarHBondContact O-N 3.36Å; S248-E250 WeakPolarHBondContact OG-CB 3.41Å; S248-E250 PolarHBondContact OG-N 3.16Å; E250-S252 PolarHBondContact O-N 3.25Å
251	K	94.2	Very high	90.3	Very high	109 Å²	109	50.7 Å²	50.7	47%	0.474	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	120	173.1	-172.7	173.7	68.2	179.5	0	108.7	R242 S243 Y244 F253 E254	R242-K251 HydrophobicContact CG-CD 4.32Å; S243-K251 CarbonylContact O-C 3.58Å; S243-K251 WeakPolarHBondContact O-CA 3.21Å; Y244-K251 HydrophobicContact CD1-CB 4.12Å; Y244-K251 HydrophobicContact CE1-CB 3.69Å; Y244-K251 HydrophobicContact CE1-CG 4.16Å; K251-F253 WeakPolarHBondContact CG-O 3.48Å; K251-E254 HydrophobicContact CD-CB 4.3Å; K251-E254 IonicContact NZ-OE2 2.73Å; K251-E254 PolarHBondContact NZ-OE2 3Å
252	S	92.5	Very high	90.3	Very high	62 Å²	62	52.7 Å²	52.7	43%	0.434	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-22.2	179.2	49.5	0	0	0	0	113.2	S243 E250	S243-S252 PolarHBondContact O-N 3.2Å; S243-S252 PolarHBondContact O-OG 2.79Å; S243-S252 PolarHBondContact OG-OG 3.03Å; E250-S252 PolarHBondContact O-N 3.25Å
253	F	93.2	Very high	90.3	Very high	5 Å²	5	51.7 Å²	51.7	2%	0.022	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	150.3	-179	-175.9	-93.5	0	0	0	111.5	I241 R242 S243 K251 M255 V283 L285 H287 Q288	I241-F253 HydrophobicContact CG2-CE1 4.45Å; R242-F253 VanDerWaalsContact CA-O 3.28Å; R242-F253 WeakPolarHBondContact CA-O 3.27Å; S243-F253 PolarHBondContact N-O 2.8Å; S243-F253 PolarHBondContact O-N 3.2Å; S243-F253 WeakPolarHBondContact OG-CB 3.37Å; S243-F253 PolarHBondContact OG-N 2.94Å; K251-F253 WeakPolarHBondContact CG-O 3.48Å; F253-M255 HydrophobicContact CD1-CB 4.48Å; F253-M255 HydrophobicContact CE1-CB 3.48Å; F253-M255 VanDerWaalsContact CE1-CB 3.48Å; F253-M255 HydrophobicContact CZ-CB 3.77Å; F253-M255 HydrophobicContact CZ-CE 3.77Å; F253-M255 HydrophobicContact CZ-SD 4.34Å; F253-V283 HydrophobicContact CE1-CG1 3.76Å; F253-V283 HydrophobicContact CZ-CG1 3.61Å; F253-L285 HydrophobicContact CB-CD2 4.43Å; F253-L285 HydrophobicContact CD1-CD2 3.72Å; F253-L285 VanDerWaalsContact CD2-O 3.32Å; F253-L285 WeakPolarHBondContact CD2-O 3.23Å; F253-L285 HydrophobicContact CE1-CD2 3.98Å; F253-L285 HydrophobicContact CG-CD2 4.02Å; F253-L285 HydrophobicContact CZ-CD2 4.5Å; F253-H287 WeakPolarHBondContact CE2-O 3.46Å; F253-Q288 HydrophobicContact CD2-CG 3.94Å; F253-Q288 HydrophobicContact CE2-CB 4.45Å; F253-Q288 HydrophobicContact CE2-CG 3.76Å
254	E	92.5	Very high	90.3	Very high	72 Å²	72	51.8 Å²	51.8	34%	0.336	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	135.5	168.6	-179.4	169.7	111.3	0	0	110	F240 I241 R242 K251	F240-E254 HydrophobicContact CD1-CG 4.05Å; I241-E254 CarbonylContact O-C 3.56Å; I241-E254 WeakPolarHBondContact O-CA 3.44Å; R242-E254 WeakPolarHBondContact CD-OE2 3.39Å; R242-E254 HydrophobicContact CG-CB 4.08Å; R242-E254 HydrophobicContact CG-CG 3.86Å; R242-E254 IonicContact CZ-OE2 2.73Å; R242-E254 IonicContact NE-OE2 3.35Å; R242-E254 PolarHBondContact NE-OE2 3.39Å; R242-E254 IonicContact NH2-OE2 3.5Å; K251-E254 HydrophobicContact CD-CB 4.3Å; K251-E254 IonicContact NZ-OE2 2.73Å; K251-E254 PolarHBondContact NZ-OE2 3Å
255	M	91.2	Very high	90.3	Very high	16 Å²	16	52.6 Å²	52.6	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	136.2	172.7	-179.2	175.9	-78.9	0	0	109.6	F240 I241 F253 L257 V283 Q288	F240-M255 WeakPolarHBondContact CA-O 3.39Å; I241-M255 PolarHBondContact N-O 2.96Å; I241-M255 PolarHBondContact O-N 2.77Å; F253-M255 HydrophobicContact CD1-CB 4.48Å; F253-M255 HydrophobicContact CE1-CB 3.48Å; F253-M255 VanDerWaalsContact CE1-CB 3.48Å; F253-M255 HydrophobicContact CZ-CB 3.77Å; F253-M255 HydrophobicContact CZ-CE 3.77Å; F253-M255 HydrophobicContact CZ-SD 4.34Å; M255-L257 HydrophobicContact CG-CD2 3.98Å; M255-L257 HydrophobicContact SD-CD2 3.8Å; M255-V283 HydrophobicContact CE-CG1 4.25Å; M255-V283 HydrophobicContact SD-CG1 3.79Å; M255-V283 HydrophobicContact SD-CG2 3.97Å; M255-Q288 WeakPolarHBondContact CE-O 3.02Å
256	S	89.2	Confident	90.3	Very high	70 Å²	70	50.8 Å²	50.8	49%	0.49	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.2	171.9	-172.5	0	0	0	0	109.9
257	L	83.5	Confident	90.2	Very high	28 Å²	28	50.9 Å²	50.9	15%	0.147	27%	0.274	C	S	.	.			trans	-106.7	10.6	-179	-62.2	179	0	0	0	113.1	G239 I241 M255 S259 L261 C274 V283 A291	G239-L257 PolarHBondContact O-N 3.26Å; I241-L257 HydrophobicContact CG1-CD1 4.12Å; M255-L257 HydrophobicContact CG-CD2 3.98Å; M255-L257 HydrophobicContact SD-CD2 3.8Å; L257-S259 PolarHBondContact O-N 3.4Å; L257-L261 HydrophobicContact CD1-CD1 4.06Å; L257-L261 HydrophobicContact CD1-CD2 4.27Å; L257-C274 WeakPolarHBondContact CD1-SG 3.27Å; L257-V283 HydrophobicContact CD1-CG2 4.11Å; L257-V283 HydrophobicContact CD2-CG2 4.43Å; L257-A291 HydrophobicContact CD2-CB 3.87Å
258	A	73	Confident	89.9	Confident	101 Å²	101	45.1 Å²	45.1	84%	0.835	25%	0.252	S	S	*	.	S	Bend	trans	64.8	-16.7	177.2	0	0	0	0	0	117.5
259	S	81.3	Confident	89.5	Confident	32 Å²	32	49.4 Å²	49.4	22%	0.224	27%	0.27	C	S	.	.	S	Bend	trans	-114.1	149.8	176.3	57	0	0	0	0	111.9	G239 L257 L261 S279	G239-S259 WeakPolarHBondContact CA-O 3.31Å; L257-S259 PolarHBondContact O-N 3.4Å; S259-L261 PolarHBondContact O-N 3.45Å; S259-S279 PolarHBondContact OG-OG 3.15Å
260	S	90.1	Very high	89.3	Confident	32 Å²	32	49.8 Å²	49.8	22%	0.224	28%	0.276	C	S	.	.			trans	-52.4	134.2	172	-180	0	0	0	0	110.7	S237 G276 D277	S237-S260 WeakPolarHBondContact CA-OG 3.48Å; S237-S260 WeakPolarHBondContact O-CA 3.42Å; S237-S260 WeakPolarHBondContact O-CB 3.29Å; S237-S260 PolarHBondContact O-OG 2.98Å; S260-G276 VanDerWaalsContact O-CA 3.31Å; S260-G276 WeakPolarHBondContact O-CA 3.28Å; S260-D277 PolarHBondContact O-N 3.15Å
261	L	92.9	Very high	89.1	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.6	176.3	-60.9	170.8	0	0	0	109.9	A223 A235 S236 I241 L257 S259 C274	A223-L261 VanDerWaalsContact CB-O 3.25Å; A223-L261 WeakPolarHBondContact CB-O 3.25Å; A235-L261 HydrophobicContact CB-CB 3.82Å; A235-L261 HydrophobicContact CB-CD1 4.34Å; S236-L261 CarbonylContact C-O 3.6Å; S236-L261 PolarHBondContact O-N 3.11Å; S236-L261 VanDerWaalsContact O-N 3.11Å; I241-L261 HydrophobicContact CD1-CD1 3.68Å; I241-L261 HydrophobicContact CG1-CD1 3.56Å; L257-L261 HydrophobicContact CD1-CD1 4.06Å; L257-L261 HydrophobicContact CD1-CD2 4.27Å; S259-L261 PolarHBondContact O-N 3.45Å; L261-C274 HydrophobicContact CD2-CB 4.35Å
262	N	94	Very high	88.9	Confident	42 Å²	42	40.4 Å²	40.4	23%	0.225	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-31.2	-178.7	-61.3	-28.6	0	0	0	111.3	A223 S224 G275 G276 V301	A223-N262 WeakPolarHBondContact CB-O 3.43Å; S224-N262 WeakPolarHBondContact CB-O 3.47Å; S224-N262 PolarHBondContact OG-O 3.01Å; N262-G275 PolarHBondContact N-O 2.87Å; N262-G276 WeakPolarHBondContact ND2-CA 3.48Å; N262-V301 WeakPolarHBondContact CB-O 3.26Å; N262-V301 PolarHBondContact ND2-O 2.82Å
263	A	94.5	Very high	88.8	Confident	2 Å²	2	37.5 Å²	37.5	2%	0.017	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	146.5	-171.4	0	0	0	0	0	112.1	S224 C274 G275 V301 F304	S224-A263 VanDerWaalsContact OG-C 3.24Å; S224-A263 WeakPolarHBondContact OG-CA 3.36Å; A263-C274 CarbonylContact O-C 3.58Å; A263-C274 VanDerWaalsContact O-CA 3.26Å; A263-C274 WeakPolarHBondContact O-CA 3.25Å; A263-G275 PolarHBondContact N-O 2.8Å; A263-G275 PolarHBondContact O-N 3.5Å; A263-V301 HydrophobicContact CB-CG1 3.97Å; A263-F304 HydrophobicContact CB-CD2 3.5Å; A263-F304 HydrophobicContact CB-CE2 3.8Å; A263-F304 HydrophobicContact CB-CG 4.5Å
264	C	94.6	Very high	88.7	Confident	7 Å²	7	37.3 Å²	37.3	5%	0.047	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.1	166.4	62.1	0	0	0	0	111.2	S224 A235 I241 V272 I273 C274	S224-C264 PolarHBondContact OG-N 3.26Å; S224-C264 PolarHBondContact OG-SG 3.07Å; S224-C264 VanDerWaalsContact OG-SG 3.37Å; A235-C264 HydrophobicContact CB-CB 3.91Å; I241-C264 HydrophobicContact CD1-CB 4.01Å; C264-V272 HydrophobicContact CB-CG1 4.08Å; C264-I273 CarbonylContact C-O 3.51Å; C264-I273 WeakPolarHBondContact CA-O 3.1Å; C264-C274 HydrophobicContact CB-CB 4.16Å
265	E	94.1	Very high	88.6	Confident	23 Å²	23	33.9 Å²	33.9	11%	0.107	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	141.4	176.7	-177.8	71.2	159	0	0	110.7	T226 L267 I273 F304 K306	T226-E265 WeakPolarHBondContact CB-OE2 3.42Å; T226-E265 PolarHBondContact OG1-OE2 3.37Å; E265-L267 PolarHBondContact O-N 3.18Å; E265-I273 HydrophobicContact CB-CG2 4.02Å; E265-I273 PolarHBondContact N-O 2.91Å; E265-I273 WeakPolarHBondContact O-CG2 3.34Å; E265-I273 PolarHBondContact O-N 2.93Å; E265-F304 HydrophobicContact CB-CB 3.53Å; E265-F304 HydrophobicContact CB-CG 4.42Å; E265-F304 HydrophobicContact CG-CB 4.34Å; E265-K306 HydrophobicContact CG-CB 4.05Å; E265-K306 PolarHBondContact OE1-N 3.49Å
266	F	92.4	Very high	88.4	Confident	13 Å²	13	33.1 Å²	33.1	6%	0.057	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	126.8	171.6	-85.5	-79.4	0	0	0	110.8	T226 T227 V231 V233 D269 V272 L285	T226-F266 HydrophobicContact CG2-CD2 3.49Å; T226-F266 VanDerWaalsContact CG2-CD2 3.49Å; T226-F266 HydrophobicContact CG2-CE2 3.87Å; T226-F266 HydrophobicContact CG2-CG 4.34Å; T226-F266 PolarHBondContact OG1-N 2.68Å; T227-F266 VanDerWaalsContact C-CD2 3.48Å; V231-F266 HydrophobicContact CB-CZ 4.23Å; V231-F266 HydrophobicContact CG1-CZ 4.17Å; V233-F266 HydrophobicContact CB-CE2 4.12Å; V233-F266 HydrophobicContact CB-CZ 4.27Å; V233-F266 HydrophobicContact CG2-CE1 4.21Å; V233-F266 HydrophobicContact CG2-CE2 3.73Å; V233-F266 HydrophobicContact CG2-CZ 3.39Å; F266-D269 WeakPolarHBondContact CE1-O 2.97Å; F266-V272 HydrophobicContact CD1-CG2 3.73Å; F266-V272 HydrophobicContact CE1-CG2 3.68Å; F266-V272 HydrophobicContact CG-CG2 4.31Å; F266-V272 HydrophobicContact CZ-CG2 4.21Å; F266-L285 HydrophobicContact CE1-CD1 3.83Å; F266-L285 HydrophobicContact CZ-CD1 4.09Å
267	L	87.1	Confident	88.2	Confident	8 Å²	8	33.6 Å²	33.6	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-57.3	168	-60.1	-177.3	0	0	0	109.7	E265 L271 I273 V282 K306 A311	E265-L267 PolarHBondContact O-N 3.18Å; L267-L271 HydrophobicContact CB-CB 4.28Å; L267-L271 PolarHBondContact N-O 2.95Å; L267-I273 HydrophobicContact CD1-CB 4.12Å; L267-I273 HydrophobicContact CD2-CB 3.95Å; L267-I273 HydrophobicContact CD2-CG2 3.64Å; L267-I273 HydrophobicContact CG-CB 4Å; L267-I273 HydrophobicContact CG-CG2 4.09Å; L267-V282 HydrophobicContact CD1-CG1 4.27Å; L267-V282 HydrophobicContact CD1-CG2 4.21Å; L267-K306 WeakPolarHBondContact O-CE 3.12Å; L267-K306 PolarHBondContact O-NZ 3.33Å; L267-A311 HydrophobicContact CD2-CB 3.68Å
268	R	83.6	Confident	87.8	Confident	86 Å²	86	36.2 Å²	36.2	33%	0.325	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	148.6	178.4	-64.4	-175.6	176.6	130.1	-19.1	109.1	N270 L271 E309 S325	R268-N270 CarbonylContact O-C 3.52Å; R268-N270 PolarHBondContact O-N 2.67Å; R268-L271 PolarHBondContact N-O 2.77Å; R268-L271 WeakPolarHBondContact O-CA 3.3Å; R268-L271 PolarHBondContact O-N 3.25Å; R268-E309 IonicContact CZ-OE2 3.67Å; R268-E309 VanDerWaalsContact NH2-CG 3.32Å; R268-E309 IonicContact NH2-OE1 3.73Å; R268-E309 PolarHBondContact NH2-OE1 2.95Å; R268-E309 IonicContact NH2-OE2 3.41Å; R268-E309 PolarHBondContact NH2-OE2 3.43Å; R268-S325 PolarHBondContact NH1-OG 3.2Å
269	D	81.4	Confident	88.1	Confident	143 Å²	143	32 Å²	32	77%	0.765	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	28	-82.3	171.5	-58.8	-19.4	0	0	0	116.6	F266	F266-D269 WeakPolarHBondContact CE1-O 2.97Å
270	N	87.3	Confident	88.2	Confident	59 Å²	59	31 Å²	31	32%	0.316	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-3	-177.6	-55.5	-52.9	0	0	0	114.6	R268 D284 L285 R286	R268-N270 CarbonylContact O-C 3.52Å; R268-N270 PolarHBondContact O-N 2.67Å; N270-D284 WeakPolarHBondContact O-CA 3.17Å; N270-L285 HydrophobicContact CB-CB 4.31Å; N270-L285 WeakPolarHBondContact O-CG 3.21Å; N270-L285 PolarHBondContact O-N 3.36Å; N270-R286 HydrophobicContact CB-CG 4.03Å; N270-R286 WeakPolarHBondContact ND2-CD 3.5Å
271	L	88.2	Confident	87.7	Confident	44 Å²	44	29.7 Å²	29.7	23%	0.23	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.7	178.4	-64	-178.7	0	0	0	110.3	L267 R268 V282 V283 D284 L292	L267-L271 HydrophobicContact CB-CB 4.28Å; L267-L271 PolarHBondContact N-O 2.95Å; R268-L271 PolarHBondContact N-O 2.77Å; R268-L271 WeakPolarHBondContact O-CA 3.3Å; R268-L271 PolarHBondContact O-N 3.25Å; L271-V282 HydrophobicContact CD2-CG1 4.43Å; L271-V283 WeakPolarHBondContact CA-O 3.38Å; L271-D284 HydrophobicContact CD2-CB 3.79Å; L271-L292 HydrophobicContact CD2-CD1 3.59Å
272	V	91	Very high	87.4	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.8	177.9	177.8	0	0	0	0	108.5	V233 C264 F266 V282 V283 L285	V233-V272 HydrophobicContact CB-CG2 4.46Å; V233-V272 HydrophobicContact CG1-CG1 4.03Å; V233-V272 HydrophobicContact CG1-CG2 4.34Å; V233-V272 HydrophobicContact CG2-CG2 4Å; C264-V272 HydrophobicContact CB-CG1 4.08Å; F266-V272 HydrophobicContact CD1-CG2 3.73Å; F266-V272 HydrophobicContact CE1-CG2 3.68Å; F266-V272 HydrophobicContact CG-CG2 4.31Å; F266-V272 HydrophobicContact CZ-CG2 4.21Å; V272-V282 CarbonylContact O-C 3.6Å; V272-V282 WeakPolarHBondContact O-CA 3.35Å; V272-V283 PolarHBondContact N-O 3.28Å; V272-V283 PolarHBondContact O-N 2.9Å; V272-L285 HydrophobicContact CG2-CD1 3.96Å; V272-L285 HydrophobicContact CG2-CD2 4.3Å; V272-L285 HydrophobicContact CG2-CG 4.12Å
273	I	90.2	Very high	87.1	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	139.4	165.3	-169.5	166.3	0	0	0	109	C264 E265 L267 I280 G281 V282 F304 A311 L323	C264-I273 CarbonylContact C-O 3.51Å; C264-I273 WeakPolarHBondContact CA-O 3.1Å; E265-I273 HydrophobicContact CB-CG2 4.02Å; E265-I273 PolarHBondContact N-O 2.91Å; E265-I273 WeakPolarHBondContact O-CG2 3.34Å; E265-I273 PolarHBondContact O-N 2.93Å; L267-I273 HydrophobicContact CD1-CB 4.12Å; L267-I273 HydrophobicContact CD2-CB 3.95Å; L267-I273 HydrophobicContact CD2-CG2 3.64Å; L267-I273 HydrophobicContact CG-CB 4Å; L267-I273 HydrophobicContact CG-CG2 4.09Å; I273-I280 HydrophobicContact CD1-CG2 3.77Å; I273-I280 HydrophobicContact CG1-CG2 3.9Å; I273-G281 WeakPolarHBondContact CA-O 3.21Å; I273-V282 HydrophobicContact CB-CG2 4.44Å; I273-V282 HydrophobicContact CG1-CG2 4.3Å; I273-F304 HydrophobicContact CD1-CD1 4.07Å; I273-F304 HydrophobicContact CD1-CE1 3.55Å; I273-F304 HydrophobicContact CD1-CZ 4.04Å; I273-F304 HydrophobicContact CG1-CD1 4.36Å; I273-F304 HydrophobicContact CG1-CE1 3.83Å; I273-F304 HydrophobicContact CG1-CE2 4.34Å; I273-F304 HydrophobicContact CG1-CZ 3.83Å; I273-F304 HydrophobicContact CG2-CB 4.43Å; I273-F304 HydrophobicContact CG2-CD1 4.06Å; I273-F304 HydrophobicContact CG2-CD2 4.26Å; I273-F304 HydrophobicContact CG2-CE1 4.37Å; I273-F304 HydrophobicContact CG2-CG 4.01Å; I273-A311 HydrophobicContact CD1-CB 4.49Å; I273-A311 HydrophobicContact CG2-CB 4.07Å; I273-L323 HydrophobicContact CD1-CD1 3.29Å
274	C	90.9	Very high	86.8	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.007	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	155.9	175.8	56.8	0	0	0	0	110.4	I241 L257 L261 A263 C264 I280 G281	I241-C274 HydrophobicContact CD1-CB 3.58Å; I241-C274 HydrophobicContact CG1-CB 3.96Å; L257-C274 WeakPolarHBondContact CD1-SG 3.27Å; L261-C274 HydrophobicContact CD2-CB 4.35Å; A263-C274 CarbonylContact O-C 3.58Å; A263-C274 VanDerWaalsContact O-CA 3.26Å; A263-C274 WeakPolarHBondContact O-CA 3.25Å; C264-C274 HydrophobicContact CB-CB 4.16Å; C274-I280 CarbonylContact O-C 3.59Å; C274-I280 WeakPolarHBondContact O-CA 3.29Å; C274-G281 PolarHBondContact N-O 3.49Å; C274-G281 PolarHBondContact O-N 3.02Å; C274-G281 VanDerWaalsContact O-O 3.12Å
275	G	89.5	Confident	86.5	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	158.7	180	0	0	0	0	0	111.6	N262 A263 S279	N262-G275 PolarHBondContact N-O 2.87Å; A263-G275 PolarHBondContact N-O 2.8Å; A263-G275 PolarHBondContact O-N 3.5Å; G275-S279 CarbonylContact C-O 3.57Å; G275-S279 WeakPolarHBondContact CA-O 3.37Å
276	G	87.3	Confident	86.2	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	-123.9	177.2	0	0	0	0	0	110.2	S260 N262 N278 S279 S300 V301	S260-G276 VanDerWaalsContact O-CA 3.31Å; S260-G276 WeakPolarHBondContact O-CA 3.28Å; N262-G276 WeakPolarHBondContact ND2-CA 3.48Å; G276-N278 PolarHBondContact O-N 3.14Å; G276-S279 PolarHBondContact N-O 3.43Å; G276-S300 WeakPolarHBondContact O-CA 3.46Å; G276-V301 PolarHBondContact O-N 3.39Å
277	D	84.7	Confident	85.6	Confident	79 Å²	79	39.5 Å²	39.5	42%	0.422	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	107	-175.8	-66.7	-22.1	0	0	0	110.4	S260 S279 S300	S260-D277 PolarHBondContact O-N 3.15Å; D277-S279 PolarHBondContact O-N 2.82Å; D277-S279 PolarHBondContact O-OG 2.9Å; D277-S300 PolarHBondContact OD1-OG 3.05Å
278	N	75	Confident	85	Confident	84 Å²	84	45.3 Å²	45.3	45%	0.449	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	28.2	173.4	-51	-37	0	0	0	114.3	G276 T296 S297	G276-N278 PolarHBondContact O-N 3.14Å; N278-T296 CarbonylContact O-C 3.45Å; N278-T296 WeakPolarHBondContact O-CA 2.97Å; N278-S297 WeakPolarHBondContact CB-O 3.42Å; N278-S297 PolarHBondContact O-N 2.84Å
279	S	80.8	Confident	84.2	Confident	12 Å²	12	48.5 Å²	48.5	8%	0.084	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	139.4	-179.3	51.5	0	0	0	0	111.8	S259 G275 G276 D277 V295	S259-S279 PolarHBondContact OG-OG 3.15Å; G275-S279 CarbonylContact C-O 3.57Å; G275-S279 WeakPolarHBondContact CA-O 3.37Å; G276-S279 PolarHBondContact N-O 3.43Å; D277-S279 PolarHBondContact O-N 2.82Å; D277-S279 PolarHBondContact O-OG 2.9Å; S279-V295 WeakPolarHBondContact CA-O 3.3Å
280	I	82.7	Confident	83.5	Confident	10 Å²	10	49.9 Å²	49.9	5%	0.051	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.7	170.4	-57.8	175.4	0	0	0	107.2	I273 C274 W293 N294 V295 V301 F304 A313 L323	I273-I280 HydrophobicContact CD1-CG2 3.77Å; I273-I280 HydrophobicContact CG1-CG2 3.9Å; C274-I280 CarbonylContact O-C 3.59Å; C274-I280 WeakPolarHBondContact O-CA 3.29Å; I280-W293 HydrophobicContact CB-CZ3 3.96Å; I280-W293 HydrophobicContact CG2-CZ3 3.73Å; I280-W293 WeakPolarHBondContact O-CZ3 3.2Å; I280-N294 CarbonylContact O-C 3.54Å; I280-N294 VanDerWaalsContact O-CA 3.31Å; I280-N294 WeakPolarHBondContact O-CA 3.25Å; I280-N294 PolarHBondContact O-OD1 3.07Å; I280-V295 PolarHBondContact N-O 2.9Å; I280-V295 PolarHBondContact O-N 3.03Å; I280-V301 HydrophobicContact CD1-CG2 3.95Å; I280-V301 HydrophobicContact CG1-CG2 3.53Å; I280-F304 HydrophobicContact CG1-CZ 4.49Å; I280-F304 HydrophobicContact CG2-CE1 4.28Å; I280-F304 HydrophobicContact CG2-CZ 3.99Å; I280-A313 HydrophobicContact CD1-CB 4.3Å; I280-L323 HydrophobicContact CD1-CD1 4.42Å; I280-L323 HydrophobicContact CG2-CD1 4.21Å
281	G	80.6	Confident	82.4	Confident	5 Å²	5	48 Å²	48	5%	0.052	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	162.2	176.5	0	0	0	0	0	113.5	I273 C274 W293	I273-G281 WeakPolarHBondContact CA-O 3.21Å; C274-G281 PolarHBondContact N-O 3.49Å; C274-G281 PolarHBondContact O-N 3.02Å; C274-G281 VanDerWaalsContact O-O 3.12Å; G281-W293 CarbonylContact C-O 3.52Å; G281-W293 WeakPolarHBondContact CA-O 3.43Å
282	V	85.4	Confident	81.5	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.3	173.8	179.6	0	0	0	0	109.2	L267 L271 V272 I273 A291 L292 W293 L328	L267-V282 HydrophobicContact CD1-CG1 4.27Å; L267-V282 HydrophobicContact CD1-CG2 4.21Å; L271-V282 HydrophobicContact CD2-CG1 4.43Å; V272-V282 CarbonylContact O-C 3.6Å; V272-V282 WeakPolarHBondContact O-CA 3.35Å; I273-V282 HydrophobicContact CB-CG2 4.44Å; I273-V282 HydrophobicContact CG1-CG2 4.3Å; V282-A291 CarbonylContact O-C 3.58Å; V282-L292 HydrophobicContact CG1-CD1 4.39Å; V282-L292 PolarHBondContact O-N 2.82Å; V282-W293 HydrophobicContact CB-CB 4.37Å; V282-W293 HydrophobicContact CG2-CE3 4.34Å; V282-W293 PolarHBondContact N-O 3.03Å; V282-L328 HydrophobicContact CB-CD1 4.47Å; V282-L328 HydrophobicContact CG2-CD1 4.02Å; V282-L328 HydrophobicContact CG2-CD2 4.32Å
283	V	87.5	Confident	80.1	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134	-179.3	-179.5	0	0	0	0	109.1	F253 M255 L257 L271 V272 A291	F253-V283 HydrophobicContact CE1-CG1 3.76Å; F253-V283 HydrophobicContact CZ-CG1 3.61Å; M255-V283 HydrophobicContact CE-CG1 4.25Å; M255-V283 HydrophobicContact SD-CG1 3.79Å; M255-V283 HydrophobicContact SD-CG2 3.97Å; L257-V283 HydrophobicContact CD1-CG2 4.11Å; L257-V283 HydrophobicContact CD2-CG2 4.43Å; L271-V283 WeakPolarHBondContact CA-O 3.38Å; V272-V283 PolarHBondContact N-O 3.28Å; V272-V283 PolarHBondContact O-N 2.9Å; V283-A291 HydrophobicContact CG2-CB 4.31Å
284	D	88.2	Confident	79	Confident	8 Å²	8	57.8 Å²	57.8	4%	0.043	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	115.1	167	-170.9	-23.3	0	0	0	109.2	N270 L271 R286 H287 L292	N270-D284 WeakPolarHBondContact O-CA 3.17Å; L271-D284 HydrophobicContact CD2-CB 3.79Å; D284-R286 PolarHBondContact O-N 3.36Å; D284-R286 VanDerWaalsContact OD1-CB 3.32Å; D284-R286 WeakPolarHBondContact OD1-CB 3.1Å; D284-R286 WeakPolarHBondContact OD1-CG 3.32Å; D284-R286 IonicContact OD1-CZ 2.81Å; D284-R286 PolarHBondContact OD1-N 2.83Å; D284-R286 IonicContact OD1-NE 3.33Å; D284-R286 PolarHBondContact OD1-NE 2.73Å; D284-R286 IonicContact OD1-NH2 3.52Å; D284-R286 IonicContact OD2-CZ 3.58Å; D284-R286 IonicContact OD2-NE 3.65Å; D284-R286 PolarHBondContact OD2-NE 3.31Å; D284-R286 IonicContact OD2-NH2 3.01Å; D284-R286 PolarHBondContact OD2-NH2 3.28Å; D284-H287 PolarHBondContact O-N 2.82Å; D284-H287 IonicContact OD2-CD2 3.74Å; D284-L292 HydrophobicContact CB-CD1 3.94Å; D284-L292 HydrophobicContact CB-CG 4.22Å
285	L	89.7	Confident	78	Confident	24 Å²	24	60.1 Å²	60.1	13%	0.126	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-10.7	-178.2	-59.8	177	0	0	0	113.6	V231 V233 F253 F266 N270 V272	V231-L285 HydrophobicContact CG1-CD1 4.3Å; V233-L285 HydrophobicContact CG2-CD1 3.8Å; V233-L285 HydrophobicContact CG2-CD2 4.35Å; F253-L285 HydrophobicContact CB-CD2 4.43Å; F253-L285 HydrophobicContact CD1-CD2 3.72Å; F253-L285 VanDerWaalsContact CD2-O 3.32Å; F253-L285 WeakPolarHBondContact CD2-O 3.23Å; F253-L285 HydrophobicContact CE1-CD2 3.98Å; F253-L285 HydrophobicContact CG-CD2 4.02Å; F253-L285 HydrophobicContact CZ-CD2 4.5Å; F266-L285 HydrophobicContact CE1-CD1 3.83Å; F266-L285 HydrophobicContact CZ-CD1 4.09Å; N270-L285 HydrophobicContact CB-CB 4.31Å; N270-L285 WeakPolarHBondContact O-CG 3.21Å; N270-L285 PolarHBondContact O-N 3.36Å; V272-L285 HydrophobicContact CG2-CD1 3.96Å; V272-L285 HydrophobicContact CG2-CD2 4.3Å; V272-L285 HydrophobicContact CG2-CG 4.12Å
286	R	86.5	Confident	77	Confident	160 Å²	160	66.2 Å²	66.2	60%	0.604	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-19.8	174.4	-61.7	174.3	-68.3	177.7	6.8	113.5	N270 D284	N270-R286 HydrophobicContact CB-CG 4.03Å; N270-R286 WeakPolarHBondContact ND2-CD 3.5Å; D284-R286 PolarHBondContact O-N 3.36Å; D284-R286 VanDerWaalsContact OD1-CB 3.32Å; D284-R286 WeakPolarHBondContact OD1-CB 3.1Å; D284-R286 WeakPolarHBondContact OD1-CG 3.32Å; D284-R286 IonicContact OD1-CZ 2.81Å; D284-R286 PolarHBondContact OD1-N 2.83Å; D284-R286 IonicContact OD1-NE 3.33Å; D284-R286 PolarHBondContact OD1-NE 2.73Å; D284-R286 IonicContact OD1-NH2 3.52Å; D284-R286 IonicContact OD2-CZ 3.58Å; D284-R286 IonicContact OD2-NE 3.65Å; D284-R286 PolarHBondContact OD2-NE 3.31Å; D284-R286 IonicContact OD2-NH2 3.01Å; D284-R286 PolarHBondContact OD2-NH2 3.28Å
287	H	79.8	Confident	76.2	Confident	103 Å²	103	67.1 Å²	67.1	48%	0.477	34%	0.339	S	S	.	.			trans	-123.2	120.7	-173.6	-63.9	-66.5	0	0	0	110.3	F253 D284	F253-H287 WeakPolarHBondContact CE2-O 3.46Å; D284-H287 PolarHBondContact O-N 2.82Å; D284-H287 IonicContact OD2-CD2 3.74Å
288	Q	74.1	Confident	75.6	Confident	130 Å²	130	67.2 Å²	67.2	61%	0.607	35%	0.346	S	S	*	.			trans	-88.3	-7.4	-177.7	-68.5	-176.6	-4.7	0	0	113.5	F253 M255	F253-Q288 HydrophobicContact CD2-CG 3.94Å; F253-Q288 HydrophobicContact CE2-CB 4.45Å; F253-Q288 HydrophobicContact CE2-CG 3.76Å; M255-Q288 WeakPolarHBondContact CE-O 3.02Å
289	D	66.9	Low	75.9	Confident	154 Å²	154	63.5 Å²	63.5	82%	0.824	33%	0.327	S	S	*	.	S	Bend	trans	-83.8	-31.1	-161.7	-57.1	-28.9	0	0	0	113.7
290	K	67	Low	76.3	Confident	171 Å²	171	64 Å²	64	74%	0.743	33%	0.331	S	S	*	.			trans	-166.4	150.3	177.3	-154.9	174.5	176.6	-179.9	0	112.7	L292	K290-L292 PolarHBondContact O-N 2.96Å
291	A	65.1	Low	76.6	Confident	19 Å²	19	63.6 Å²	63.6	16%	0.157	33%	0.328	C	S	.	.			trans	-57	136.5	162	0	0	0	0	0	109.9	L257 V282 V283 W293	L257-A291 HydrophobicContact CD2-CB 3.87Å; V282-A291 CarbonylContact O-C 3.58Å; V283-A291 HydrophobicContact CG2-CB 4.31Å; A291-W293 PolarHBondContact O-N 3.28Å
292	L	67.6	Low	77.2	Confident	102 Å²	102	66 Å²	66	53%	0.534	34%	0.34	S	S	.	.	S	Bend	trans	-63.1	-33.2	177.7	-66.1	180	0	0	0	111.1	L271 V282 D284 K290	L271-L292 HydrophobicContact CD2-CD1 3.59Å; V282-L292 HydrophobicContact CG1-CD1 4.39Å; V282-L292 PolarHBondContact O-N 2.82Å; D284-L292 HydrophobicContact CB-CD1 3.94Å; D284-L292 HydrophobicContact CB-CG 4.22Å; K290-L292 PolarHBondContact O-N 2.96Å
293	W	62.6	Low	77.7	Confident	55 Å²	55	67.1 Å²	67.1	21%	0.208	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	141	-172.7	-172.4	82.4	0	0	0	110	I280 G281 V282 A291 V295 L328	I280-W293 HydrophobicContact CB-CZ3 3.96Å; I280-W293 HydrophobicContact CG2-CZ3 3.73Å; I280-W293 WeakPolarHBondContact O-CZ3 3.2Å; G281-W293 CarbonylContact C-O 3.52Å; G281-W293 WeakPolarHBondContact CA-O 3.43Å; V282-W293 HydrophobicContact CB-CB 4.37Å; V282-W293 HydrophobicContact CG2-CE3 4.34Å; V282-W293 PolarHBondContact N-O 3.03Å; A291-W293 PolarHBondContact O-N 3.28Å; W293-V295 HydrophobicContact CD2-CG2 4.01Å; W293-V295 HydrophobicContact CE3-CG2 4.48Å; W293-V295 HydrophobicContact CH2-CB 3.61Å; W293-V295 HydrophobicContact CH2-CG1 4.36Å; W293-V295 HydrophobicContact CH2-CG2 3.69Å; W293-V295 HydrophobicContact CZ2-CB 3.61Å; W293-V295 HydrophobicContact CZ2-CG1 4.36Å; W293-V295 HydrophobicContact CZ2-CG2 3.11Å; W293-V295 HydrophobicContact CZ3-CB 4.13Å; W293-V295 HydrophobicContact CZ3-CG2 4.32Å; W293-L328 WeakPolarHBondContact CZ2-O 3.47Å; W293-L328 PolarHBondContact NE1-O 3.07Å
294	N	67.6	Low	78	Confident	95 Å²	95	68.1 Å²	68.1	51%	0.508	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	124	171	-171.5	-0.2	0	0	0	108.4	I280	I280-N294 CarbonylContact O-C 3.54Å; I280-N294 VanDerWaalsContact O-CA 3.31Å; I280-N294 WeakPolarHBondContact O-CA 3.25Å; I280-N294 PolarHBondContact O-OD1 3.07Å
295	V	68.9	Low	78.2	Confident	50 Å²	50	69.4 Å²	69.4	30%	0.303	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.4	178.9	167.4	0	0	0	0	110.1	S279 I280 W293 S297	S279-V295 WeakPolarHBondContact CA-O 3.3Å; I280-V295 PolarHBondContact N-O 2.9Å; I280-V295 PolarHBondContact O-N 3.03Å; W293-V295 HydrophobicContact CD2-CG2 4.01Å; W293-V295 HydrophobicContact CE3-CG2 4.48Å; W293-V295 HydrophobicContact CH2-CB 3.61Å; W293-V295 HydrophobicContact CH2-CG1 4.36Å; W293-V295 HydrophobicContact CH2-CG2 3.69Å; W293-V295 HydrophobicContact CZ2-CB 3.61Å; W293-V295 HydrophobicContact CZ2-CG1 4.36Å; W293-V295 HydrophobicContact CZ2-CG2 3.11Å; W293-V295 HydrophobicContact CZ3-CB 4.13Å; W293-V295 HydrophobicContact CZ3-CG2 4.32Å; V295-S297 PolarHBondContact O-N 2.89Å
296	T	69.6	Low	78.3	Confident	128 Å²	128	72.8 Å²	72.8	79%	0.785	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	122.1	171.2	50.2	0	0	0	0	109.9	N278	N278-T296 CarbonylContact O-C 3.45Å; N278-T296 WeakPolarHBondContact O-CA 2.97Å
297	S	69.9	Low	78.3	Confident	19 Å²	19	65.4 Å²	65.4	13%	0.133	34%	0.343	C	S	.	.			trans	-93.3	149.8	173	171.4	0	0	0	0	110.3	N278 V295 A299 M315	N278-S297 WeakPolarHBondContact CB-O 3.42Å; N278-S297 PolarHBondContact O-N 2.84Å; V295-S297 PolarHBondContact O-N 2.89Å; S297-A299 WeakPolarHBondContact CB-O 3.37Å; S297-A299 PolarHBondContact O-N 3.35Å; S297-A299 PolarHBondContact OG-N 3.39Å; S297-A299 PolarHBondContact OG-O 2.86Å; S297-M315 WeakPolarHBondContact OG-CE 3.31Å
298	S	72.6	Confident	78.5	Confident	82 Å²	82	66.9 Å²	66.9	57%	0.573	34%	0.344	S	S	*	.	S	Bend	trans	-70.3	-13	173.5	54.8	0	0	0	0	113.7	D317	S298-D317 PolarHBondContact OG-OD2 2.78Å
299	A	81.1	Confident	78.7	Confident	5 Å²	5	65 Å²	65	4%	0.041	34%	0.336	C	S	.	.	S	Bend	trans	-150.1	162.6	-173.3	0	0	0	0	0	111.6	S297 M315 D317	S297-A299 WeakPolarHBondContact CB-O 3.37Å; S297-A299 PolarHBondContact O-N 3.35Å; S297-A299 PolarHBondContact OG-N 3.39Å; S297-A299 PolarHBondContact OG-O 2.86Å; A299-M315 HydrophobicContact CB-CB 4.36Å; A299-M315 HydrophobicContact CB-CE 4.11Å; A299-M315 WeakPolarHBondContact O-CE 3.36Å; A299-D317 HydrophobicContact CB-CB 3.72Å; A299-D317 VanDerWaalsContact CB-CG 3.49Å
300	S	88.4	Confident	79.5	Confident	24 Å²	24	57.8 Å²	57.8	17%	0.168	30%	0.297	C	S	.	.			trans	-70.5	137.3	174.5	-64.7	0	0	0	0	110.9	G276 D277 S316	G276-S300 WeakPolarHBondContact O-CA 3.46Å; D277-S300 PolarHBondContact OD1-OG 3.05Å; S300-S316 PolarHBondContact N-OG 2.86Å; S300-S316 PolarHBondContact O-N 3.37Å
301	V	90.4	Very high	80.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	136	168.2	-175.4	0	0	0	0	109	N262 A263 G276 I280 F304 M315	N262-V301 WeakPolarHBondContact CB-O 3.26Å; N262-V301 PolarHBondContact ND2-O 2.82Å; A263-V301 HydrophobicContact CB-CG1 3.97Å; G276-V301 PolarHBondContact O-N 3.39Å; I280-V301 HydrophobicContact CD1-CG2 3.95Å; I280-V301 HydrophobicContact CG1-CG2 3.53Å; V301-F304 HydrophobicContact CB-CZ 4.46Å; V301-F304 HydrophobicContact CG1-CD2 4.21Å; V301-F304 HydrophobicContact CG1-CE1 4.13Å; V301-F304 HydrophobicContact CG1-CE2 3.66Å; V301-F304 HydrophobicContact CG1-CZ 3.62Å; V301-F304 HydrophobicContact CG2-CZ 4.19Å; V301-M315 HydrophobicContact CG2-CE 3.89Å; V301-M315 HydrophobicContact CG2-SD 4.01Å
302	L	92.8	Very high	81.6	Confident	57 Å²	57	48.7 Å²	48.7	30%	0.298	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-36.5	179	-61.4	179.6	0	0	0	112.4	C314 A342 V343 Y344	L302-C314 PolarHBondContact N-O 3.01Å; L302-A342 HydrophobicContact CD1-CB 3.72Å; L302-V343 VanDerWaalsContact CD1-O 3.3Å; L302-V343 WeakPolarHBondContact CD1-O 3.47Å; L302-Y344 HydrophobicContact CD1-CD1 3.95Å; L302-Y344 HydrophobicContact CD1-CE1 4.36Å
303	S	94.7	Very high	82.6	Confident	24 Å²	24	43.9 Å²	43.9	17%	0.168	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	163.8	173.1	62.8	0	0	0	0	111.6	C314 Y344 S345	S303-C314 PolarHBondContact O-N 3.25Å; S303-C314 WeakPolarHBondContact OG-CB 3.11Å; S303-Y344 VanDerWaalsContact CB-O 3.31Å; S303-Y344 WeakPolarHBondContact CB-O 3.28Å; S303-Y344 PolarHBondContact OG-O 2.99Å; S303-S345 WeakPolarHBondContact OG-CA 3.32Å
304	F	93.6	Very high	83.9	Confident	20 Å²	20	41.2 Å²	41.2	9%	0.088	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	154	167.2	-69.3	-75.5	0	0	0	110.9	A263 E265 I273 I280 V301 A311 L312 A313 L323	A263-F304 HydrophobicContact CB-CD2 3.5Å; A263-F304 HydrophobicContact CB-CE2 3.8Å; A263-F304 HydrophobicContact CB-CG 4.5Å; E265-F304 HydrophobicContact CB-CB 3.53Å; E265-F304 HydrophobicContact CB-CG 4.42Å; E265-F304 HydrophobicContact CG-CB 4.34Å; I273-F304 HydrophobicContact CD1-CD1 4.07Å; I273-F304 HydrophobicContact CD1-CE1 3.55Å; I273-F304 HydrophobicContact CD1-CZ 4.04Å; I273-F304 HydrophobicContact CG1-CD1 4.36Å; I273-F304 HydrophobicContact CG1-CE1 3.83Å; I273-F304 HydrophobicContact CG1-CE2 4.34Å; I273-F304 HydrophobicContact CG1-CZ 3.83Å; I273-F304 HydrophobicContact CG2-CB 4.43Å; I273-F304 HydrophobicContact CG2-CD1 4.06Å; I273-F304 HydrophobicContact CG2-CD2 4.26Å; I273-F304 HydrophobicContact CG2-CE1 4.37Å; I273-F304 HydrophobicContact CG2-CG 4.01Å; I280-F304 HydrophobicContact CG1-CZ 4.49Å; I280-F304 HydrophobicContact CG2-CE1 4.28Å; I280-F304 HydrophobicContact CG2-CZ 3.99Å; V301-F304 HydrophobicContact CB-CZ 4.46Å; V301-F304 HydrophobicContact CG1-CD2 4.21Å; V301-F304 HydrophobicContact CG1-CE1 4.13Å; V301-F304 HydrophobicContact CG1-CE2 3.66Å; V301-F304 HydrophobicContact CG1-CZ 3.62Å; V301-F304 HydrophobicContact CG2-CZ 4.19Å; F304-A311 HydrophobicContact CD1-CB 4.37Å; F304-L312 CarbonylContact C-O 3.55Å; F304-L312 WeakPolarHBondContact CA-O 3.45Å; F304-A313 HydrophobicContact CD1-CB 3.72Å; F304-A313 HydrophobicContact CE1-CB 3.41Å; F304-A313 VanDerWaalsContact CE1-CB 3.41Å; F304-A313 HydrophobicContact CZ-CB 4.42Å; F304-L323 HydrophobicContact CE1-CD1 4.25Å
305	K	93.4	Very high	84.8	Confident	35 Å²	35	36.7 Å²	36.7	15%	0.152	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	125.1	165.8	-177.4	68.9	175	-172.6	0	109.4	D101 W307 A311 L312 A346	D101-K305 IonicContact OD1-NZ 3.22Å; D101-K305 PolarHBondContact OD1-NZ 2.91Å; K305-W307 PolarHBondContact O-N 3.44Å; K305-A311 CarbonylContact O-C 3.59Å; K305-A311 WeakPolarHBondContact O-CA 3.35Å; K305-L312 HydrophobicContact CB-CB 4.41Å; K305-L312 PolarHBondContact N-O 3.36Å; K305-L312 PolarHBondContact O-N 2.56Å; K305-A346 HydrophobicContact CB-CB 4.38Å; K305-A346 WeakPolarHBondContact CB-O 3.47Å; K305-A346 WeakPolarHBondContact CG-O 3.45Å
306	K	90.9	Very high	85.7	Confident	95 Å²	95	36.7 Å²	36.7	41%	0.413	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	133.2	173.9	179.6	173.4	176.3	159.9	0	110.9	E265 L267	E265-K306 HydrophobicContact CG-CB 4.05Å; E265-K306 PolarHBondContact OE1-N 3.49Å; L267-K306 WeakPolarHBondContact O-CE 3.12Å; L267-K306 PolarHBondContact O-NZ 3.33Å
307	W	87.3	Confident	86.2	Confident	6 Å²	6	33.2 Å²	33.2	2%	0.023	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	122	177.6	-178.8	59.8	0	0	0	110.9	K305 E309 G310 L312 C322 V348 I354 V368	K305-W307 PolarHBondContact O-N 3.44Å; W307-E309 PolarHBondContact O-N 2.95Å; W307-G310 PolarHBondContact N-O 2.89Å; W307-G310 CarbonylContact O-C 3.59Å; W307-G310 VanDerWaalsContact O-C 3.23Å; W307-G310 PolarHBondContact O-N 2.98Å; W307-L312 HydrophobicContact CB-CD1 4.39Å; W307-L312 HydrophobicContact CB-CD2 4.27Å; W307-L312 HydrophobicContact CB-CG 3.87Å; W307-L312 HydrophobicContact CD2-CD2 4.11Å; W307-L312 HydrophobicContact CE3-CD2 3.86Å; W307-L312 HydrophobicContact CG-CD2 4.32Å; W307-L312 HydrophobicContact CG-CG 4.31Å; W307-C322 HydrophobicContact CE3-CB 4.39Å; W307-C322 HydrophobicContact CZ3-CB 3.92Å; W307-V348 HydrophobicContact CB-CG2 4.4Å; W307-V348 HydrophobicContact CG-CG2 4.21Å; W307-I354 HydrophobicContact CZ2-CD1 4.36Å; W307-V368 HydrophobicContact CH2-CG1 4.1Å; W307-V368 HydrophobicContact CZ2-CG1 4.34Å
308	R	84.7	Confident	86.6	Confident	134 Å²	134	32.3 Å²	32.3	51%	0.506	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	-122.8	-173.8	-58.2	179.9	178.4	-178.8	4.1	110.8	G310	R308-G310 VanDerWaalsContact C-N 3.35Å
309	E	78.6	Confident	86.8	Confident	90 Å²	90	31.2 Å²	31.2	42%	0.421	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	2.6	-179.9	-55.7	-150.8	138.7	0	0	113.6	R268 W307 S325	R268-E309 IonicContact CZ-OE2 3.67Å; R268-E309 VanDerWaalsContact NH2-CG 3.32Å; R268-E309 IonicContact NH2-OE1 3.73Å; R268-E309 PolarHBondContact NH2-OE1 2.95Å; R268-E309 IonicContact NH2-OE2 3.41Å; R268-E309 PolarHBondContact NH2-OE2 3.43Å; W307-E309 PolarHBondContact O-N 2.95Å; E309-S325 WeakPolarHBondContact O-CB 3.36Å
310	G	82.9	Confident	86.8	Confident	2 Å²	2	31.1 Å²	31.1	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	-136.4	-179.2	0	0	0	0	0	112.7	W307 R308 L323	W307-G310 PolarHBondContact N-O 2.89Å; W307-G310 CarbonylContact O-C 3.59Å; W307-G310 VanDerWaalsContact O-C 3.23Å; W307-G310 PolarHBondContact O-N 2.98Å; R308-G310 VanDerWaalsContact C-N 3.35Å; G310-L323 CarbonylContact C-O 3.51Å; G310-L323 WeakPolarHBondContact CA-O 3.21Å
311	A	87.9	Confident	86.4	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	155	-174.5	0	0	0	0	0	113.2	L267 I273 F304 K305 L323	L267-A311 HydrophobicContact CD2-CB 3.68Å; I273-A311 HydrophobicContact CD1-CB 4.49Å; I273-A311 HydrophobicContact CG2-CB 4.07Å; F304-A311 HydrophobicContact CD1-CB 4.37Å; K305-A311 CarbonylContact O-C 3.59Å; K305-A311 WeakPolarHBondContact O-CA 3.35Å; A311-L323 PolarHBondContact N-O 3.45Å; A311-L323 WeakPolarHBondContact O-CB 3.11Å; A311-L323 PolarHBondContact O-N 2.87Å
312	L	88.8	Confident	85.7	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	130.7	163.9	-55.7	176.6	0	0	0	108.6	F304 K305 W307 V320 H321 C322 A346 V348 I354	F304-L312 CarbonylContact C-O 3.55Å; F304-L312 WeakPolarHBondContact CA-O 3.45Å; K305-L312 HydrophobicContact CB-CB 4.41Å; K305-L312 PolarHBondContact N-O 3.36Å; K305-L312 PolarHBondContact O-N 2.56Å; W307-L312 HydrophobicContact CB-CD1 4.39Å; W307-L312 HydrophobicContact CB-CD2 4.27Å; W307-L312 HydrophobicContact CB-CG 3.87Å; W307-L312 HydrophobicContact CD2-CD2 4.11Å; W307-L312 HydrophobicContact CE3-CD2 3.86Å; W307-L312 HydrophobicContact CG-CD2 4.32Å; W307-L312 HydrophobicContact CG-CG 4.31Å; L312-V320 HydrophobicContact CB-CG1 4.02Å; L312-V320 HydrophobicContact CD2-CG1 4.39Å; L312-H321 CarbonylContact C-O 3.52Å; L312-H321 WeakPolarHBondContact CA-O 3.4Å; L312-C322 HydrophobicContact CD2-CB 4.26Å; L312-C322 WeakPolarHBondContact CD2-SG 3.3Å; L312-A346 HydrophobicContact CD1-CB 4.13Å; L312-V348 HydrophobicContact CD1-CG2 3.63Å; L312-I354 HydrophobicContact CD1-CB 4.47Å; L312-I354 HydrophobicContact CD1-CD1 4.02Å; L312-I354 HydrophobicContact CD1-CG1 4.08Å; L312-I354 HydrophobicContact CD1-CG2 3.64Å; L312-I354 HydrophobicContact CD2-CD1 3.85Å
313	A	88.2	Confident	84.9	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	115	173.7	0	0	0	0	0	109.7	I280 F304 M315 V320 H321 L323	I280-A313 HydrophobicContact CD1-CB 4.3Å; F304-A313 HydrophobicContact CD1-CB 3.72Å; F304-A313 HydrophobicContact CE1-CB 3.41Å; F304-A313 VanDerWaalsContact CE1-CB 3.41Å; F304-A313 HydrophobicContact CZ-CB 4.42Å; A313-M315 HydrophobicContact CB-SD 4.02Å; A313-V320 CarbonylContact O-C 3.56Å; A313-V320 VanDerWaalsContact O-CA 3.27Å; A313-V320 WeakPolarHBondContact O-CA 3.27Å; A313-H321 HydrophobicContact CB-CB 4.17Å; A313-H321 PolarHBondContact N-O 3.01Å; A313-H321 PolarHBondContact O-N 2.67Å; A313-L323 HydrophobicContact CB-CD1 4.13Å
314	C	90.1	Very high	83.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.1	178.1	-61.4	0	0	0	0	109.9	L302 S303 V343 S345 A346	L302-C314 PolarHBondContact N-O 3.01Å; S303-C314 PolarHBondContact O-N 3.25Å; S303-C314 WeakPolarHBondContact OG-CB 3.11Å; C314-V343 HydrophobicContact CB-CB 4.17Å; C314-V343 HydrophobicContact CB-CG1 3.95Å; C314-V343 VanDerWaalsContact CB-O 3.29Å; C314-V343 WeakPolarHBondContact CB-O 3.17Å; C314-S345 VanDerWaalsContact SG-C 3.59Å; C314-A346 WeakPolarHBondContact SG-CB 3.06Å
315	M	86.6	Confident	82.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	154.3	-168.8	-51.9	-52.6	-64.5	0	0	113.3	S297 A299 V301 A313 D317 G318 R319 H321 V343	S297-M315 WeakPolarHBondContact OG-CE 3.31Å; A299-M315 HydrophobicContact CB-CB 4.36Å; A299-M315 HydrophobicContact CB-CE 4.11Å; A299-M315 WeakPolarHBondContact O-CE 3.36Å; V301-M315 HydrophobicContact CG2-CE 3.89Å; V301-M315 HydrophobicContact CG2-SD 4.01Å; A313-M315 HydrophobicContact CB-SD 4.02Å; M315-D317 WeakPolarHBondContact CB-OD1 3.48Å; M315-D317 PolarHBondContact O-N 3.25Å; M315-G318 PolarHBondContact O-N 2.56Å; M315-R319 HydrophobicContact CB-CB 4.37Å; M315-R319 VanDerWaalsContact CB-O 3.3Å; M315-R319 WeakPolarHBondContact CB-O 3.43Å; M315-R319 HydrophobicContact CG-CB 4.3Å; M315-R319 WeakPolarHBondContact CG-O 3.25Å; M315-R319 PolarHBondContact N-O 3.34Å; M315-H321 WeakPolarHBondContact CG-CD2 3.3Å; M315-V343 PolarHBondContact O-N 2.73Å
316	S	87.3	Confident	79.8	Confident	49 Å²	49	40.4 Å²	40.4	34%	0.343	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.4	176.8	66	0	0	0	0	114.5	S300 G318 A342	S300-S316 PolarHBondContact N-OG 2.86Å; S300-S316 PolarHBondContact O-N 3.37Å; S316-G318 VanDerWaalsContact C-N 3.32Å; S316-A342 WeakPolarHBondContact O-CA 3.23Å; S316-A342 PolarHBondContact O-N 3.21Å
317	D	80.6	Confident	77.6	Confident	55 Å²	55	40.4 Å²	40.4	29%	0.294	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	3.5	178	66.9	-3.7	0	0	0	113.6	S298 A299 M315 R319	S298-D317 PolarHBondContact OG-OD2 2.78Å; A299-D317 HydrophobicContact CB-CB 3.72Å; A299-D317 VanDerWaalsContact CB-CG 3.49Å; M315-D317 WeakPolarHBondContact CB-OD1 3.48Å; M315-D317 PolarHBondContact O-N 3.25Å; D317-R319 WeakPolarHBondContact OD1-CB 3.17Å; D317-R319 PolarHBondContact OD1-N 3.19Å; D317-R319 WeakPolarHBondContact OD2-CD 3.23Å; D317-R319 IonicContact OD2-NE 3.01Å; D317-R319 IonicContact OD2-NH1 3.22Å
318	G	77.3	Confident	75.7	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.01	21%	0.208	C	C	.	.	S	Bend	trans	88	8.4	-179.5	0	0	0	0	0	114.6	M315 S316 C338 G341	M315-G318 PolarHBondContact O-N 2.56Å; S316-G318 VanDerWaalsContact C-N 3.32Å; G318-C338 CarbonylContact C-O 3.49Å; G318-C338 WeakPolarHBondContact CA-O 3.39Å; G318-C338 CarbonylContact O-C 3.53Å; G318-C338 WeakPolarHBondContact O-CA 3.26Å; G318-C338 WeakPolarHBondContact O-CB 3.44Å; G318-C338 PolarHBondContact O-N 3.37Å; G318-C338 VanDerWaalsContact O-O 3.08Å; G318-G341 WeakPolarHBondContact CA-O 3.37Å
319	R	78.3	Confident	73.6	Confident	59 Å²	59	41.1 Å²	41.1	22%	0.223	21%	0.21	C	C	.	.			trans	-91.6	156.1	173.2	-62.3	176.8	-179.8	163.5	-4.2	111.8	G33 M315 D317	G33-R319 PolarHBondContact O-NH2 3.1Å; M315-R319 HydrophobicContact CB-CB 4.37Å; M315-R319 VanDerWaalsContact CB-O 3.3Å; M315-R319 WeakPolarHBondContact CB-O 3.43Å; M315-R319 HydrophobicContact CG-CB 4.3Å; M315-R319 WeakPolarHBondContact CG-O 3.25Å; M315-R319 PolarHBondContact N-O 3.34Å; D317-R319 WeakPolarHBondContact OD1-CB 3.17Å; D317-R319 PolarHBondContact OD1-N 3.19Å; D317-R319 WeakPolarHBondContact OD2-CD 3.23Å; D317-R319 IonicContact OD2-NE 3.01Å; D317-R319 IonicContact OD2-NH1 3.22Å
320	V	80.4	Confident	71.7	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.3	161.4	-180	0	0	0	0	108.2	L312 A313 L335 V343 T356	L312-V320 HydrophobicContact CB-CG1 4.02Å; L312-V320 HydrophobicContact CD2-CG1 4.39Å; A313-V320 CarbonylContact O-C 3.56Å; A313-V320 VanDerWaalsContact O-CA 3.27Å; A313-V320 WeakPolarHBondContact O-CA 3.27Å; V320-L335 HydrophobicContact CB-CB 4.16Å; V320-L335 HydrophobicContact CG1-CD1 4.46Å; V320-L335 PolarHBondContact N-O 3.46Å; V320-L335 WeakPolarHBondContact O-CA 3.02Å; V320-L335 WeakPolarHBondContact O-CB 3.12Å; V320-L335 PolarHBondContact O-N 3.35Å; V320-V343 HydrophobicContact CG2-CB 4.13Å; V320-V343 HydrophobicContact CG2-CG1 3.78Å; V320-V343 HydrophobicContact CG2-CG2 4.01Å; V320-T356 HydrophobicContact CG2-CG2 3.85Å
321	H	78.8	Confident	69.5	Low	28 Å²	28	45.5 Å²	45.5	13%	0.13	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.3	173.8	-66.5	-98.2	0	0	0	109.7	L312 A313 M315 L323	L312-H321 CarbonylContact C-O 3.52Å; L312-H321 WeakPolarHBondContact CA-O 3.4Å; A313-H321 HydrophobicContact CB-CB 4.17Å; A313-H321 PolarHBondContact N-O 3.01Å; A313-H321 PolarHBondContact O-N 2.67Å; M315-H321 WeakPolarHBondContact CG-CD2 3.3Å; H321-L323 HydrophobicContact CB-CD2 4.1Å; H321-L323 HydrophobicContact CB-CG 4.39Å
322	C	77	Confident	67.1	Low	11 Å²	11	52.2 Å²	52.2	7%	0.074	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.9	166.3	-61.7	0	0	0	0	108.8	W307 L312 M333 L335	W307-C322 HydrophobicContact CE3-CB 4.39Å; W307-C322 HydrophobicContact CZ3-CB 3.92Å; L312-C322 HydrophobicContact CD2-CB 4.26Å; L312-C322 WeakPolarHBondContact CD2-SG 3.3Å; C322-M333 HydrophobicContact CB-CB 3.67Å; C322-M333 PolarHBondContact N-O 3.41Å; C322-L335 WeakPolarHBondContact SG-CD1 3.47Å
323	L	75.6	Confident	64.6	Low	15 Å²	15	54.7 Å²	54.7	8%	0.079	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.5	-178.5	-54.2	173.9	0	0	0	108	I273 I280 F304 G310 A311 A313 H321	I273-L323 HydrophobicContact CD1-CD1 3.29Å; I280-L323 HydrophobicContact CD1-CD1 4.42Å; I280-L323 HydrophobicContact CG2-CD1 4.21Å; F304-L323 HydrophobicContact CE1-CD1 4.25Å; G310-L323 CarbonylContact C-O 3.51Å; G310-L323 WeakPolarHBondContact CA-O 3.21Å; A311-L323 PolarHBondContact N-O 3.45Å; A311-L323 WeakPolarHBondContact O-CB 3.11Å; A311-L323 PolarHBondContact O-N 2.87Å; A313-L323 HydrophobicContact CB-CD1 4.13Å; H321-L323 HydrophobicContact CB-CD2 4.1Å; H321-L323 HydrophobicContact CB-CG 4.39Å
324	Q	70	Confident	62.6	Low	95 Å²	95	58 Å²	58	44%	0.444	31%	0.305	S	S	.	.			trans	-115.6	151	178	-66.4	-171.4	7.2	0	0	111.8	L328	Q324-L328 PolarHBondContact O-N 2.95Å
325	S	59.2	Low	60.6	Low	30 Å²	30	58 Å²	58	21%	0.21	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-26.6	-161.5	166.3	0	0	0	0	116.5	R268 E309 T327	R268-S325 PolarHBondContact NH1-OG 3.2Å; E309-S325 WeakPolarHBondContact O-CB 3.36Å; S325-T327 VanDerWaalsContact C-N 3.26Å; S325-T327 PolarHBondContact O-N 2.68Å
326	E	46.3	Very low	58.6	Low	176 Å²	176	59.2 Å²	59.2	82%	0.822	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-27	-163.5	-72.1	-166.1	164.9	0	0	113.5
327	T	44.4	Very low	56.6	Low	95 Å²	95	57.8 Å²	57.8	58%	0.583	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130	-12	173	57.1	0	0	0	0	114.1	S325 Q329	S325-T327 VanDerWaalsContact C-N 3.26Å; S325-T327 PolarHBondContact O-N 2.68Å; T327-Q329 PolarHBondContact O-N 2.97Å
328	L	46.2	Very low	55.1	Low	36 Å²	36	55.4 Å²	55.4	19%	0.188	30%	0.295	C	S	.	.			trans	43.3	23.1	-169.9	-72.9	164.9	0	0	0	112.8	V282 W293 Q324	V282-L328 HydrophobicContact CB-CD1 4.47Å; V282-L328 HydrophobicContact CG2-CD1 4.02Å; V282-L328 HydrophobicContact CG2-CD2 4.32Å; W293-L328 WeakPolarHBondContact CZ2-O 3.47Å; W293-L328 PolarHBondContact NE1-O 3.07Å; Q324-L328 PolarHBondContact O-N 2.95Å
329	Q	40.4	Very low	53.9	Low	119 Å²	119	61.2 Å²	61.2	56%	0.556	33%	0.325	S	S	*	.			trans	-67.9	136.6	164.9	-72.4	-179.2	-22.8	0	0	105.6	T327 D331	T327-Q329 PolarHBondContact O-N 2.97Å; Q329-D331 HydrophobicContact CB-CB 4.34Å; Q329-D331 PolarHBondContact O-N 3.48Å
330	S	40.2	Very low	52.8	Low	77 Å²	77	60.2 Å²	60.2	54%	0.538	33%	0.327	S	S	.	.	S	Bend	trans	-64.6	-1.2	174.8	56.1	0	0	0	0	113.2	D332	S330-D332 PolarHBondContact O-N 2.83Å
331	D	36.3	Very low	52.4	Low	108 Å²	108	61.5 Å²	61.5	58%	0.578	34%	0.341	S	S	*	.			trans	-76.7	97.1	174.8	-58.3	-22.4	0	0	0	107.3	Q329	Q329-D331 HydrophobicContact CB-CB 4.34Å; Q329-D331 PolarHBondContact O-N 3.48Å
332	D	37.5	Very low	52.8	Low	140 Å²	140	60.9 Å²	60.9	75%	0.749	34%	0.341	S	S	*	.	S	Bend		173.9	-8.6	128.5	-96.6	-18.3	0	0	0	118	S330	S330-D332 PolarHBondContact O-N 2.83Å
333	M	36.8	Very low	53.3	Low	53 Å²	53	60.4 Å²	60.4	26%	0.261	34%	0.337	S	S	.	.			trans	-157.5	97.1	167.8	-109.3	173.9	-160.8	0	0	111.9	C322 L335 V368	C322-M333 HydrophobicContact CB-CB 3.67Å; C322-M333 PolarHBondContact N-O 3.41Å; M333-L335 PolarHBondContact O-N 3.43Å; M333-V368 HydrophobicContact CE-CG1 3.81Å; M333-V368 HydrophobicContact SD-CG1 3.63Å
334	Q	45.5	Very low	54.2	Low	68 Å²	68	61.9 Å²	61.9	32%	0.318	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	105.5	153.1	-68.8	-176.8	10.3	0	0	107	T81 S336	T81-Q334 HydrophobicContact CG2-CB 4.17Å; Q334-S336 PolarHBondContact O-N 3.34Å
335	L	48.1	Very low	55.4	Low	1 Å²	1	57.8 Å²	57.8	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	81.7	157.4	-59.9	173.6	0	0	0	105.6	P84 V320 C322 M333 G337 I354 V368	P84-L335 HydrophobicContact CG-CD2 3.3Å; V320-L335 HydrophobicContact CB-CB 4.16Å; V320-L335 HydrophobicContact CG1-CD1 4.46Å; V320-L335 PolarHBondContact N-O 3.46Å; V320-L335 WeakPolarHBondContact O-CA 3.02Å; V320-L335 WeakPolarHBondContact O-CB 3.12Å; V320-L335 PolarHBondContact O-N 3.35Å; C322-L335 WeakPolarHBondContact SG-CD1 3.47Å; M333-L335 PolarHBondContact O-N 3.43Å; L335-G337 PolarHBondContact O-N 3.24Å; L335-I354 HydrophobicContact CD1-CD1 3.54Å; L335-V368 HydrophobicContact CD1-CG2 4.43Å; L335-V368 HydrophobicContact CD2-CG2 4.18Å
336	S	45.3	Very low	57	Low	26 Å²	26	56.7 Å²	56.7	18%	0.182	32%	0.317	C	S	.	.			trans	-73	65.8	168.4	63.7	0	0	0	0	108.3	Q334	Q334-S336 PolarHBondContact O-N 3.34Å
337	G	44.9	Very low	59.3	Low	19 Å²	19	48.3 Å²	48.3	20%	0.196	28%	0.277	C	S	.	.			trans	-91.2	-20	-170.1	0	0	0	0	0	114.7	L335 Y366	L335-G337 PolarHBondContact O-N 3.24Å; G337-Y366 WeakPolarHBondContact CA-OH 3.38Å; G337-Y366 PolarHBondContact O-OH 3.42Å
338	C	48.7	Very low	61.6	Low	5 Å²	5	44.8 Å²	44.8	3%	0.034	26%	0.256	C	S	.	.			trans	-127.3	88.6	-173.1	-75.4	0	0	0	0	111.6	G318 C340 V343 S358 R364 Y366	G318-C338 CarbonylContact C-O 3.49Å; G318-C338 WeakPolarHBondContact CA-O 3.39Å; G318-C338 CarbonylContact O-C 3.53Å; G318-C338 WeakPolarHBondContact O-CA 3.26Å; G318-C338 WeakPolarHBondContact O-CB 3.44Å; G318-C338 PolarHBondContact O-N 3.37Å; G318-C338 VanDerWaalsContact O-O 3.08Å; C338-C340 WeakPolarHBondContact CB-SG 3.36Å; C338-C340 PolarHBondContact O-N 3.39Å; C338-C340 VanDerWaalsContact SG-SG 3.61Å; C338-V343 HydrophobicContact CB-CG2 3.88Å; C338-S358 PolarHBondContact SG-OG 3.01Å; C338-R364 WeakPolarHBondContact SG-CD 3.36Å; C338-R364 PolarHBondContact SG-NE 3.16Å; C338-Y366 PolarHBondContact SG-OH 3.32Å; C338-Y366 VanDerWaalsContact SG-OH 3.38Å
339	N	52.2	Low	63.9	Low	122 Å²	122	43.6 Å²	43.6	65%	0.652	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	25.4	161.2	-159	16	0	0	0	112.4	E31	E31-N339 PolarHBondContact OE1-ND2 3.35Å; E31-N339 PolarHBondContact OE2-ND2 2.67Å
340	C	55.9	Low	66.2	Low	38 Å²	38	42.8 Å²	42.8	26%	0.257	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	9	-173.3	62.9	0	0	0	0	112.9	C338 C359 D360 R364	C338-C340 WeakPolarHBondContact CB-SG 3.36Å; C338-C340 PolarHBondContact O-N 3.39Å; C338-C340 VanDerWaalsContact SG-SG 3.61Å; C340-C359 PolarHBondContact O-SG 3.14Å; C340-D360 HydrophobicContact CB-CB 4.32Å; C340-D360 VanDerWaalsContact CB-OD2 3.32Å; C340-D360 WeakPolarHBondContact CB-OD2 3.35Å; C340-D360 PolarHBondContact SG-OD2 2.89Å; C340-D360 VanDerWaalsContact SG-OD2 3.4Å; C340-R364 PolarHBondContact SG-NH1 3.39Å; C340-R364 PolarHBondContact SG-NH2 2.69Å
341	G	71.9	Confident	68.5	Low	29 Å²	29	43.2 Å²	43.2	30%	0.299	25%	0.252	S	S	.	.	S	Bend	trans	95.8	-174.1	-175.3	0	0	0	0	0	113.3	G318 C359	G318-G341 WeakPolarHBondContact CA-O 3.37Å; G341-C359 VanDerWaalsContact CA-SG 3.51Å
342	A	86.5	Confident	70.9	Confident	16 Å²	16	41.4 Å²	41.4	13%	0.132	24%	0.242	C	C	.	.			trans	-41.7	133	-170.7	0	0	0	0	0	115.2	L302 S316 Y344 S358 C359	L302-A342 HydrophobicContact CD1-CB 3.72Å; S316-A342 WeakPolarHBondContact O-CA 3.23Å; S316-A342 PolarHBondContact O-N 3.21Å; A342-Y344 HydrophobicContact CB-CD1 4.42Å; A342-Y344 HydrophobicContact CB-CE1 3.92Å; A342-S358 WeakPolarHBondContact O-CA 3.49Å; A342-C359 PolarHBondContact N-SG 3.11Å; A342-C359 PolarHBondContact O-N 3.41Å
343	V	88.4	Confident	73.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.2	166.1	-174.7	0	0	0	0	108.2	L302 C314 M315 V320 C338 T356	L302-V343 VanDerWaalsContact CD1-O 3.3Å; L302-V343 WeakPolarHBondContact CD1-O 3.47Å; C314-V343 HydrophobicContact CB-CB 4.17Å; C314-V343 HydrophobicContact CB-CG1 3.95Å; C314-V343 VanDerWaalsContact CB-O 3.29Å; C314-V343 WeakPolarHBondContact CB-O 3.17Å; M315-V343 PolarHBondContact O-N 2.73Å; V320-V343 HydrophobicContact CG2-CB 4.13Å; V320-V343 HydrophobicContact CG2-CG1 3.78Å; V320-V343 HydrophobicContact CG2-CG2 4.01Å; C338-V343 HydrophobicContact CB-CG2 3.88Å; V343-T356 HydrophobicContact CG1-CG2 4.19Å
344	Y	93.1	Very high	75.8	Confident	47 Å²	47	34.9 Å²	34.9	18%	0.184	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-41.5	-173.9	-63.4	-54.4	0	0	0	112.8	R98 L302 S303 A342 C357 C359	R98-Y344 HydrophobicContact CB-CD2 3.99Å; R98-Y344 HydrophobicContact CB-CG 3.98Å; R98-Y344 HydrophobicContact CG-CD1 4.39Å; R98-Y344 HydrophobicContact CG-CD2 3.75Å; R98-Y344 HydrophobicContact CG-CE2 3.83Å; R98-Y344 HydrophobicContact CG-CG 4.03Å; R98-Y344 WeakPolarHBondContact O-CB 3.5Å; L302-Y344 HydrophobicContact CD1-CD1 3.95Å; L302-Y344 HydrophobicContact CD1-CE1 4.36Å; S303-Y344 VanDerWaalsContact CB-O 3.31Å; S303-Y344 WeakPolarHBondContact CB-O 3.28Å; S303-Y344 PolarHBondContact OG-O 2.99Å; A342-Y344 HydrophobicContact CB-CD1 4.42Å; A342-Y344 HydrophobicContact CB-CE1 3.92Å; Y344-C357 PolarHBondContact N-O 3.11Å; Y344-C359 VanDerWaalsContact CE2-CA 3.47Å; Y344-C359 HydrophobicContact CE2-CB 3.67Å; Y344-C359 VanDerWaalsContact OH-CB 3.25Å; Y344-C359 WeakPolarHBondContact OH-CB 3.4Å
345	S	94.9	Very high	78.1	Confident	9 Å²	9	31.7 Å²	31.7	6%	0.063	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	154.1	-174.8	53.1	0	0	0	0	112.2	R98 V99 L100 S303 C314 T356 C357	R98-S345 WeakPolarHBondContact O-CB 3.34Å; R98-S345 PolarHBondContact O-OG 2.89Å; V99-S345 VanDerWaalsContact CA-OG 3.29Å; V99-S345 WeakPolarHBondContact CA-OG 3.43Å; L100-S345 PolarHBondContact N-OG 2.73Å; S303-S345 WeakPolarHBondContact OG-CA 3.32Å; C314-S345 VanDerWaalsContact SG-C 3.59Å; S345-T356 CarbonylContact O-C 3.55Å; S345-T356 WeakPolarHBondContact O-CA 3.34Å; S345-C357 PolarHBondContact O-N 3.35Å
346	A	93.8	Very high	80.1	Confident	6 Å²	6	31.6 Å²	31.6	5%	0.05	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155.2	175.2	0	0	0	0	0	112	K305 L312 C314 F355 T356	K305-A346 HydrophobicContact CB-CB 4.38Å; K305-A346 WeakPolarHBondContact CB-O 3.47Å; K305-A346 WeakPolarHBondContact CG-O 3.45Å; L312-A346 HydrophobicContact CD1-CB 4.13Å; C314-A346 WeakPolarHBondContact SG-CB 3.06Å; A346-F355 CarbonylContact C-O 3.53Å; A346-F355 WeakPolarHBondContact CA-O 3.42Å; A346-T356 HydrophobicContact CB-CG2 4.23Å
347	G	94.3	Very high	82.3	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	156.9	177.4	0	0	0	0	0	109.3	F355	G347-F355 PolarHBondContact N-O 3.31Å; G347-F355 PolarHBondContact O-N 3.06Å
348	V	93.8	Very high	84.3	Confident	22 Å²	22	29.5 Å²	29.5	13%	0.133	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131.6	178.4	-171.1	0	0	0	0	107.7	W307 L312 K353 I354	W307-V348 HydrophobicContact CB-CG2 4.4Å; W307-V348 HydrophobicContact CG-CG2 4.21Å; L312-V348 HydrophobicContact CD1-CG2 3.63Å; V348-K353 WeakPolarHBondContact CA-O 3.25Å; V348-I354 HydrophobicContact CG2-CG1 4.19Å
349	N	92.9	Very high	86.1	Confident	11 Å²	11	31.9 Å²	31.9	6%	0.059	19%	0.189	C	C	.	.			trans	-90.2	176.4	175.6	80	-6.1	0	0	0	111.5	I102 T122 S351 N352 K353 F355	I102-N349 HydrophobicContact CG2-CB 3.98Å; T122-N349 HydrophobicContact CG2-CB 4.07Å; T122-N349 PolarHBondContact OG1-ND2 3.14Å; N349-S351 PolarHBondContact O-N 2.83Å; N349-S351 VanDerWaalsContact O-N 3.11Å; N349-S351 WeakPolarHBondContact OD1-CA 3.29Å; N349-S351 PolarHBondContact OD1-N 2.83Å; N349-N352 PolarHBondContact O-N 3.14Å; N349-N352 PolarHBondContact OD1-N 2.84Å; N349-K353 PolarHBondContact N-O 3.15Å; N349-K353 VanDerWaalsContact N-O 3.11Å; N349-K353 WeakPolarHBondContact OD1-CB 3.39Å; N349-K353 PolarHBondContact OD1-N 3.02Å; N349-F355 HydrophobicContact CB-CE2 3.95Å
350	N	89.6	Confident	87.6	Confident	101 Å²	101	28.8 Å²	28.8	54%	0.54	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.6	-179.1	-58.1	-9	0	0	0	114.5	E104 N352	E104-N350 VanDerWaalsContact CA-OD1 3.25Å; E104-N350 WeakPolarHBondContact CA-OD1 3.4Å; E104-N350 PolarHBondContact O-ND2 2.48Å; E104-N350 PolarHBondContact O-OD1 2.75Å; N350-N352 PolarHBondContact O-N 3.17Å
351	S	88.9	Confident	89.1	Confident	87 Å²	87	27.1 Å²	27.1	61%	0.608	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	11.1	176.7	-50.2	0	0	0	0	112.3	N349 K353	N349-S351 PolarHBondContact O-N 2.83Å; N349-S351 VanDerWaalsContact O-N 3.11Å; N349-S351 WeakPolarHBondContact OD1-CA 3.29Å; N349-S351 PolarHBondContact OD1-N 2.83Å; S351-K353 PolarHBondContact O-N 3.4Å
352	N	86.5	Confident	89.7	Confident	69 Å²	69	27.6 Å²	27.6	37%	0.369	16%	0.158	S	C	.	.			trans	60	16.7	-173.9	-67.6	-59.3	0	0	0	114.8	N349 N350	N349-N352 PolarHBondContact O-N 3.14Å; N349-N352 PolarHBondContact OD1-N 2.84Å; N350-N352 PolarHBondContact O-N 3.17Å
353	K	88.4	Confident	89.8	Confident	57 Å²	57	26.9 Å²	26.9	25%	0.248	15%	0.151	C	C	.	.			trans	-72.1	133.3	170.4	-59.7	-167	-172.4	-166.8	0	109	V348 N349 S351 F355 V365 Y366 E367	V348-K353 WeakPolarHBondContact CA-O 3.25Å; N349-K353 PolarHBondContact N-O 3.15Å; N349-K353 VanDerWaalsContact N-O 3.11Å; N349-K353 WeakPolarHBondContact OD1-CB 3.39Å; N349-K353 PolarHBondContact OD1-N 3.02Å; S351-K353 PolarHBondContact O-N 3.4Å; K353-F355 HydrophobicContact CB-CD2 4.49Å; K353-F355 HydrophobicContact CB-CE2 3.76Å; K353-F355 HydrophobicContact CB-CZ 4.36Å; K353-F355 WeakPolarHBondContact O-CD2 3.45Å; K353-V365 HydrophobicContact CB-CG1 4.15Å; K353-V365 HydrophobicContact CD-CG1 4.01Å; K353-Y366 WeakPolarHBondContact CA-O 3.4Å; K353-E367 HydrophobicContact CD-CG 3.94Å; K353-E367 VanDerWaalsContact CE-OE1 3.26Å; K353-E367 WeakPolarHBondContact CE-OE1 3.37Å; K353-E367 HydrophobicContact CG-CG 4.16Å; K353-E367 IonicContact NZ-OE1 3.91Å; K353-E367 PolarHBondContact NZ-OE1 3.42Å
354	I	89.4	Confident	89.7	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.3	178.8	-60.1	173.5	0	0	0	108.3	W307 L312 L335 V348 T356 V365 Y366 V368	W307-I354 HydrophobicContact CZ2-CD1 4.36Å; L312-I354 HydrophobicContact CD1-CB 4.47Å; L312-I354 HydrophobicContact CD1-CD1 4.02Å; L312-I354 HydrophobicContact CD1-CG1 4.08Å; L312-I354 HydrophobicContact CD1-CG2 3.64Å; L312-I354 HydrophobicContact CD2-CD1 3.85Å; L335-I354 HydrophobicContact CD1-CD1 3.54Å; V348-I354 HydrophobicContact CG2-CG1 4.19Å; I354-T356 HydrophobicContact CG2-CG2 4.15Å; I354-V365 CarbonylContact O-C 3.55Å; I354-V365 WeakPolarHBondContact O-CA 3.31Å; I354-Y366 HydrophobicContact CB-CD2 4.36Å; I354-Y366 HydrophobicContact CG2-CD2 4.29Å; I354-Y366 PolarHBondContact N-O 3.06Å; I354-Y366 WeakPolarHBondContact O-CD2 3.24Å; I354-Y366 PolarHBondContact O-N 2.91Å; I354-V368 HydrophobicContact CD1-CG2 3.66Å; I354-V368 HydrophobicContact CG1-CG2 4.29Å
355	F	92.3	Very high	89.4	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.6	176.1	-66.2	-104.5	0	0	0	108.7	F89 L100 I102 W120 T122 A346 G347 N349 K353 I363 R364 V365	F89-F355 HydrophobicContact CE1-CD1 4.22Å; F89-F355 HydrophobicContact CE1-CE1 4.28Å; L100-F355 HydrophobicContact CD2-CB 4.38Å; I102-F355 HydrophobicContact CD1-CB 3.6Å; I102-F355 HydrophobicContact CD1-CD1 4.26Å; I102-F355 HydrophobicContact CD1-CD2 3.26Å; I102-F355 HydrophobicContact CD1-CE2 3.98Å; I102-F355 HydrophobicContact CD1-CG 3.45Å; I102-F355 VanDerWaalsContact CD1-CG 3.45Å; W120-F355 HydrophobicContact CH2-CB 4.35Å; W120-F355 AromaticContact CH2-CD1 3.43Å; W120-F355 HydrophobicContact CH2-CD1 3.43Å; W120-F355 VanDerWaalsContact CH2-CD1 3.43Å; W120-F355 AromaticContact CH2-CE1 3.88Å; W120-F355 HydrophobicContact CH2-CE1 3.88Å; W120-F355 AromaticContact CH2-CG 3.98Å; W120-F355 HydrophobicContact CH2-CG 3.98Å; W120-F355 AromaticContact CZ3-CD1 3.67Å; W120-F355 HydrophobicContact CZ3-CD1 3.67Å; W120-F355 AromaticContact CZ3-CE1 3.59Å; W120-F355 HydrophobicContact CZ3-CE1 3.59Å; W120-F355 HydrophobicContact CZ3-CG 4.5Å; W120-F355 HydrophobicContact CZ3-CZ 4.38Å; T122-F355 HydrophobicContact CG2-CE1 4.38Å; T122-F355 HydrophobicContact CG2-CE2 4.13Å; T122-F355 HydrophobicContact CG2-CZ 3.95Å; A346-F355 CarbonylContact C-O 3.53Å; A346-F355 WeakPolarHBondContact CA-O 3.42Å; G347-F355 PolarHBondContact N-O 3.31Å; G347-F355 PolarHBondContact O-N 3.06Å; N349-F355 HydrophobicContact CB-CE2 3.95Å; K353-F355 HydrophobicContact CB-CD2 4.49Å; K353-F355 HydrophobicContact CB-CE2 3.76Å; K353-F355 HydrophobicContact CB-CZ 4.36Å; K353-F355 WeakPolarHBondContact O-CD2 3.45Å; F355-I363 HydrophobicContact CB-CG2 4.34Å; F355-I363 HydrophobicContact CD1-CG2 4.13Å; F355-R364 CarbonylContact C-O 3.53Å; F355-R364 WeakPolarHBondContact CA-O 2.89Å; F355-V365 HydrophobicContact CD1-CB 4.36Å; F355-V365 HydrophobicContact CD1-CG1 4.27Å; F355-V365 HydrophobicContact CD1-CG2 3.59Å; F355-V365 HydrophobicContact CE1-CB 4.15Å; F355-V365 HydrophobicContact CE1-CG1 3.77Å; F355-V365 HydrophobicContact CE1-CG2 3.37Å; F355-V365 HydrophobicContact CE2-CG1 4.2Å; F355-V365 HydrophobicContact CZ-CG1 3.71Å; F355-V365 HydrophobicContact CZ-CG2 4.19Å
356	T	91	Very high	88.8	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.5	178.4	66.4	0	0	0	0	110.7	V320 V343 S345 A346 I354 I363 R364 Y366	V320-T356 HydrophobicContact CG2-CG2 3.85Å; V343-T356 HydrophobicContact CG1-CG2 4.19Å; S345-T356 CarbonylContact O-C 3.55Å; S345-T356 WeakPolarHBondContact O-CA 3.34Å; A346-T356 HydrophobicContact CB-CG2 4.23Å; I354-T356 HydrophobicContact CG2-CG2 4.15Å; T356-I363 CarbonylContact O-C 3.46Å; T356-I363 VanDerWaalsContact O-CA 3.27Å; T356-I363 WeakPolarHBondContact O-CA 3.33Å; T356-R364 PolarHBondContact N-O 3.35Å; T356-R364 PolarHBondContact O-N 3.04Å; T356-Y366 HydrophobicContact CG2-CD2 4.21Å; T356-Y366 HydrophobicContact CG2-CE2 3.6Å; T356-Y366 WeakPolarHBondContact OG1-CE2 3.37Å
357	C	91.6	Very high	87.9	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.7	167.8	179.7	0	0	0	0	110.1	C96 G97 L100 Y344 S345	C96-C357 HydrophobicContact CB-CB 4.45Å; C96-C357 WeakPolarHBondContact CB-SG 3.31Å; C96-C357 WeakPolarHBondContact SG-CB 3.38Å; C96-C357 CovalentContact SG-SG 2.07Å; C96-C357 PolarHBondContact SG-SG 2.98Å; G97-C357 PolarHBondContact O-SG 3.25Å; L100-C357 HydrophobicContact CD2-CB 3.82Å; Y344-C357 PolarHBondContact N-O 3.11Å; S345-C357 PolarHBondContact O-N 3.35Å
358	S	86.9	Confident	86.7	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	164.9	-171.9	-55.6	0	0	0	0	111.4	C338 A342 D360 G361 L362	C338-S358 PolarHBondContact SG-OG 3.01Å; A342-S358 WeakPolarHBondContact O-CA 3.49Å; S358-D360 WeakPolarHBondContact CB-OD1 3Å; S358-D360 PolarHBondContact O-N 3.28Å; S358-D360 VanDerWaalsContact O-N 3.11Å; S358-G361 PolarHBondContact O-N 3.3Å; S358-L362 PolarHBondContact N-O 2.9Å
359	C	86.3	Confident	86.4	Confident	56 Å²	56	35.7 Å²	35.7	38%	0.378	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.4	-174.5	64.9	0	0	0	0	116.2	C340 G341 A342 Y344 G361	C340-C359 PolarHBondContact O-SG 3.14Å; G341-C359 VanDerWaalsContact CA-SG 3.51Å; A342-C359 PolarHBondContact N-SG 3.11Å; A342-C359 PolarHBondContact O-N 3.41Å; Y344-C359 VanDerWaalsContact CE2-CA 3.47Å; Y344-C359 HydrophobicContact CE2-CB 3.67Å; Y344-C359 VanDerWaalsContact OH-CB 3.25Å; Y344-C359 WeakPolarHBondContact OH-CB 3.4Å; C359-G361 PolarHBondContact O-N 2.83Å
360	D	84	Confident	86	Confident	56 Å²	56	37 Å²	37	30%	0.299	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	2.3	172.5	65	-7.6	0	0	0	113.6	C340 S358 L362 R364	C340-D360 HydrophobicContact CB-CB 4.32Å; C340-D360 VanDerWaalsContact CB-OD2 3.32Å; C340-D360 WeakPolarHBondContact CB-OD2 3.35Å; C340-D360 PolarHBondContact SG-OD2 2.89Å; C340-D360 VanDerWaalsContact SG-OD2 3.4Å; S358-D360 WeakPolarHBondContact CB-OD1 3Å; S358-D360 PolarHBondContact O-N 3.28Å; S358-D360 VanDerWaalsContact O-N 3.11Å; D360-L362 VanDerWaalsContact C-N 3.32Å; D360-L362 PolarHBondContact O-N 3.17Å; D360-L362 PolarHBondContact OD1-N 3.02Å; D360-R364 IonicContact OD1-NH1 2.67Å; D360-R364 PolarHBondContact OD1-NH1 2.96Å; D360-R364 VanDerWaalsContact OD1-NH1 3.09Å; D360-R364 IonicContact OD2-CZ 2.82Å; D360-R364 IonicContact OD2-NH1 2.75Å; D360-R364 PolarHBondContact OD2-NH1 3.41Å; D360-R364 VanDerWaalsContact OD2-NH1 3.08Å; D360-R364 IonicContact OD2-NH2 3.92Å; D360-R364 PolarHBondContact OD2-NH2 2.94Å
361	G	85.9	Confident	85.8	Confident	4 Å²	4	33.4 Å²	33.4	4%	0.041	19%	0.185	C	C	.	.	S	Bend	trans	78	14.7	177.5	0	0	0	0	0	113.9	C96 S358 C359	C96-G361 PolarHBondContact N-O 3.32Å; S358-G361 PolarHBondContact O-N 3.3Å; C359-G361 PolarHBondContact O-N 2.83Å
362	L	86.2	Confident	85.6	Confident	39 Å²	39	30.3 Å²	30.3	20%	0.204	16%	0.16	C	C	.	.			trans	-100.2	143.3	177	-63.3	177.1	0	0	0	111.8	A88 K90 S358 D360	A88-L362 HydrophobicContact CB-CB 4.46Å; A88-L362 HydrophobicContact CB-CD1 4.11Å; K90-L362 HydrophobicContact CD-CD2 4.14Å; K90-L362 HydrophobicContact CG-CD2 3.63Å; S358-L362 PolarHBondContact N-O 2.9Å; D360-L362 VanDerWaalsContact C-N 3.32Å; D360-L362 PolarHBondContact O-N 3.17Å; D360-L362 PolarHBondContact OD1-N 3.02Å
363	I	88.7	Confident	85.6	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124	160.7	-56.7	-176.6	0	0	0	107.9	A88 F89 P91 C96 L100 W120 F355 T356	A88-I363 CarbonylContact C-O 3.57Å; A88-I363 VanDerWaalsContact CA-O 3.3Å; A88-I363 WeakPolarHBondContact CA-O 3.37Å; F89-I363 HydrophobicContact CD1-CB 4.1Å; F89-I363 HydrophobicContact CD1-CG2 4.27Å; F89-I363 WeakPolarHBondContact CD1-O 3.26Å; F89-I363 HydrophobicContact CE1-CB 3.68Å; F89-I363 HydrophobicContact CE1-CG2 3.44Å; F89-I363 VanDerWaalsContact CE1-CG2 3.44Å; F89-I363 HydrophobicContact CE2-CB 4.42Å; F89-I363 HydrophobicContact CE2-CD1 4.35Å; F89-I363 HydrophobicContact CZ-CB 3.86Å; F89-I363 HydrophobicContact CZ-CD1 4.13Å; F89-I363 HydrophobicContact CZ-CG2 3.7Å; F89-I363 PolarHBondContact N-O 2.83Å; F89-I363 PolarHBondContact O-N 3Å; P91-I363 HydrophobicContact CG-CD1 3.54Å; P91-I363 HydrophobicContact CG-CG1 4.45Å; C96-I363 HydrophobicContact CB-CG1 4.03Å; L100-I363 HydrophobicContact CD2-CG2 4.45Å; W120-I363 HydrophobicContact CH2-CG2 4.44Å; W120-I363 HydrophobicContact CZ2-CD1 3.79Å; W120-I363 HydrophobicContact CZ2-CG2 4.46Å; F355-I363 HydrophobicContact CB-CG2 4.34Å; F355-I363 HydrophobicContact CD1-CG2 4.13Å; T356-I363 CarbonylContact O-C 3.46Å; T356-I363 VanDerWaalsContact O-CA 3.27Å; T356-I363 WeakPolarHBondContact O-CA 3.33Å
364	R	86.3	Confident	85.4	Confident	30 Å²	30	25.9 Å²	25.9	11%	0.113	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	144.3	175.7	-73.9	173.3	-179.4	75	3.9	111	A86 K87 A88 C338 C340 F355 T356 D360 Y366	A86-R364 HydrophobicContact CB-CB 4.22Å; A86-R364 HydrophobicContact CB-CG 4.3Å; K87-R364 CarbonylContact O-C 3.59Å; K87-R364 WeakPolarHBondContact O-CA 3.43Å; A88-R364 HydrophobicContact CB-CG 4.09Å; C338-R364 WeakPolarHBondContact SG-CD 3.36Å; C338-R364 PolarHBondContact SG-NE 3.16Å; C340-R364 PolarHBondContact SG-NH1 3.39Å; C340-R364 PolarHBondContact SG-NH2 2.69Å; F355-R364 CarbonylContact C-O 3.53Å; F355-R364 WeakPolarHBondContact CA-O 2.89Å; T356-R364 PolarHBondContact N-O 3.35Å; T356-R364 PolarHBondContact O-N 3.04Å; D360-R364 IonicContact OD1-NH1 2.67Å; D360-R364 PolarHBondContact OD1-NH1 2.96Å; D360-R364 VanDerWaalsContact OD1-NH1 3.09Å; D360-R364 IonicContact OD2-CZ 2.82Å; D360-R364 IonicContact OD2-NH1 2.75Å; D360-R364 PolarHBondContact OD2-NH1 3.41Å; D360-R364 VanDerWaalsContact OD2-NH1 3.08Å; D360-R364 IonicContact OD2-NH2 3.92Å; D360-R364 PolarHBondContact OD2-NH2 2.94Å; R364-Y366 HydrophobicContact CB-CE2 3.78Å; R364-Y366 VanDerWaalsContact CD-OH 3.28Å; R364-Y366 WeakPolarHBondContact CD-OH 3.49Å
365	V	86.1	Confident	85.1	Confident	11 Å²	11	27.8 Å²	27.8	7%	0.067	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.3	-179.1	-169.1	0	0	0	0	109	A86 K87 F89 K353 I354 F355	A86-V365 VanDerWaalsContact CA-O 3.26Å; A86-V365 WeakPolarHBondContact CA-O 2.99Å; K87-V365 HydrophobicContact CB-CB 4.43Å; K87-V365 PolarHBondContact N-O 2.94Å; K87-V365 PolarHBondContact O-N 2.92Å; F89-V365 HydrophobicContact CD1-CG2 4Å; F89-V365 HydrophobicContact CE1-CG2 3.7Å; K353-V365 HydrophobicContact CB-CG1 4.15Å; K353-V365 HydrophobicContact CD-CG1 4.01Å; I354-V365 CarbonylContact O-C 3.55Å; I354-V365 WeakPolarHBondContact O-CA 3.31Å; F355-V365 HydrophobicContact CD1-CB 4.36Å; F355-V365 HydrophobicContact CD1-CG1 4.27Å; F355-V365 HydrophobicContact CD1-CG2 3.59Å; F355-V365 HydrophobicContact CE1-CB 4.15Å; F355-V365 HydrophobicContact CE1-CG1 3.77Å; F355-V365 HydrophobicContact CE1-CG2 3.37Å; F355-V365 HydrophobicContact CE2-CG1 4.2Å; F355-V365 HydrophobicContact CZ-CG1 3.71Å; F355-V365 HydrophobicContact CZ-CG2 4.19Å
366	Y	81.7	Confident	84.6	Confident	3 Å²	3	29.9 Å²	29.9	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.7	178.2	-52.4	-88.4	0	0	0	109.4	P84 A86 G337 C338 K353 I354 T356 R364	P84-Y366 HydrophobicContact CB-CD1 3.91Å; P84-Y366 HydrophobicContact CB-CG 4.39Å; P84-Y366 HydrophobicContact CG-CD1 3.65Å; P84-Y366 HydrophobicContact CG-CG 4.12Å; A86-Y366 HydrophobicContact CB-CD1 3.88Å; A86-Y366 HydrophobicContact CB-CE1 3.53Å; G337-Y366 WeakPolarHBondContact CA-OH 3.38Å; G337-Y366 PolarHBondContact O-OH 3.42Å; C338-Y366 PolarHBondContact SG-OH 3.32Å; C338-Y366 VanDerWaalsContact SG-OH 3.38Å; K353-Y366 WeakPolarHBondContact CA-O 3.4Å; I354-Y366 HydrophobicContact CB-CD2 4.36Å; I354-Y366 HydrophobicContact CG2-CD2 4.29Å; I354-Y366 PolarHBondContact N-O 3.06Å; I354-Y366 WeakPolarHBondContact O-CD2 3.24Å; I354-Y366 PolarHBondContact O-N 2.91Å; T356-Y366 HydrophobicContact CG2-CD2 4.21Å; T356-Y366 HydrophobicContact CG2-CE2 3.6Å; T356-Y366 WeakPolarHBondContact OG1-CE2 3.37Å; R364-Y366 HydrophobicContact CB-CE2 3.78Å; R364-Y366 VanDerWaalsContact CD-OH 3.28Å; R364-Y366 WeakPolarHBondContact CD-OH 3.49Å
367	E	75.7	Confident	84	Confident	122 Å²	122	32.4 Å²	32.4	57%	0.57	18%	0.175	S	C	*	.			trans	-94.4	113.3	167.9	-63.5	-175.4	178.3	0	0	107.2	K353	K353-E367 HydrophobicContact CD-CG 3.94Å; K353-E367 VanDerWaalsContact CE-OE1 3.26Å; K353-E367 WeakPolarHBondContact CE-OE1 3.37Å; K353-E367 HydrophobicContact CG-CG 4.16Å; K353-E367 IonicContact NZ-OE1 3.91Å; K353-E367 PolarHBondContact NZ-OE1 3.42Å
368	V	68.8	Low	83.3	Confident	68 Å²	68	35.4 Å²	35.4	41%	0.412	19%	0.191	S	C	.	.			trans	-107.7	0	-178.3	-174.8	0	0	0	0	110.7	P84 W307 M333 L335 I354	P84-V368 HydrophobicContact CG-CG2 4.41Å; W307-V368 HydrophobicContact CH2-CG1 4.1Å; W307-V368 HydrophobicContact CZ2-CG1 4.34Å; M333-V368 HydrophobicContact CE-CG1 3.81Å; M333-V368 HydrophobicContact SD-CG1 3.63Å; L335-V368 HydrophobicContact CD1-CG2 4.43Å; L335-V368 HydrophobicContact CD2-CG2 4.18Å; I354-V368 HydrophobicContact CD1-CG2 3.66Å; I354-V368 HydrophobicContact CG1-CG2 4.29Å

Retrieved 368 of 368 residues in 231.3 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).