A0A5K4FAA4_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4FAA4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 99 aa.

						>A0A5K4FAA4_SCHMA|A0A5K4FAA4
MISHMFKWYIAVVILCTSSMMEIESATFTVPIEFYETGQMYVSLDGVNISLNSNHMLTMKNRHCTTTLSLTSPSVEEIATQTGYREGTVLCRPRISYRS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	64.3	Low	83.6	Confident	203 Å²	203	128.5 Å²	128.5	100%	1	62%	0.617	S	S	*	*				0	-48.4	0	-69.8	173.1	74.7	0	0	112.8	S3 H4 M5	M1-S3 PolarHBondContact O-N 3.33Å; M1-H4 PolarHBondContact O-N 3.19Å; M1-M5 PolarHBondContact O-N 3.2Å
2	I	76.4	Confident	84.1	Confident	154 Å²	154	124.7 Å²	124.7	79%	0.79	61%	0.607	S	S	*	*	H	α-helix	trans	-61.5	-37.5	-175.1	-134.5	145.3	0	0	0	114.6	H4 M5 F6	I2-H4 PolarHBondContact O-N 2.98Å; I2-M5 PolarHBondContact O-N 3.31Å; I2-F6 PolarHBondContact O-N 3.44Å
3	S	82.1	Confident	84.4	Confident	72 Å²	72	119.5 Å²	119.5	50%	0.503	59%	0.587	S	S	.	*	H	α-helix	trans	-64.8	-36.7	177.5	178.6	0	0	0	0	112.8	M1 F6 K7	M1-S3 PolarHBondContact O-N 3.33Å; S3-F6 PolarHBondContact O-N 3.1Å; S3-K7 WeakPolarHBondContact O-CG 3.48Å; S3-K7 PolarHBondContact O-N 3.49Å; S3-K7 VanDerWaalsContact O-N 3.1Å
4	H	81.3	Confident	84.6	Confident	126 Å²	126	118.4 Å²	118.4	58%	0.583	58%	0.583	S	S	*	*	H	α-helix	trans	-69.6	-43.3	175.5	-74.1	-86.6	0	0	0	110.9	M1 I2 F6 K7 W8	M1-H4 PolarHBondContact O-N 3.19Å; I2-H4 PolarHBondContact O-N 2.98Å; H4-F6 VanDerWaalsContact C-N 3.28Å; H4-F6 PolarHBondContact O-N 3Å; H4-K7 PolarHBondContact O-N 3.24Å; H4-W8 PolarHBondContact O-N 2.97Å
5	M	82.9	Confident	84.6	Confident	135 Å²	135	118.6 Å²	118.6	67%	0.665	59%	0.587	S	S	*	*	H	α-helix	trans	-58.3	-40.9	175.4	-63.9	-63.5	-73.2	0	0	111.8	M1 I2 W8 Y9	M1-M5 PolarHBondContact O-N 3.2Å; I2-M5 PolarHBondContact O-N 3.31Å; M5-W8 PolarHBondContact O-N 3.48Å; M5-Y9 WeakPolarHBondContact O-CB 3.37Å; M5-Y9 PolarHBondContact O-N 3.46Å
6	F	87.3	Confident	84.5	Confident	134 Å²	134	115.4 Å²	115.4	59%	0.588	58%	0.579	S	S	*	*	H	α-helix	trans	-66	-43.2	177.3	-170.7	-101.5	0	0	0	112.5	I2 S3 H4 W8 Y9 I10	I2-F6 PolarHBondContact O-N 3.44Å; S3-F6 PolarHBondContact O-N 3.1Å; H4-F6 VanDerWaalsContact C-N 3.28Å; H4-F6 PolarHBondContact O-N 3Å; F6-W8 PolarHBondContact O-N 2.95Å; F6-Y9 PolarHBondContact O-N 3.26Å; F6-I10 HydrophobicContact CD1-CG1 4.14Å; F6-I10 HydrophobicContact CE1-CD1 4.3Å; F6-I10 HydrophobicContact CE1-CG1 3.77Å; F6-I10 HydrophobicContact CE2-CD1 4.35Å; F6-I10 HydrophobicContact CE2-CG1 4.38Å; F6-I10 HydrophobicContact CZ-CD1 3.94Å; F6-I10 HydrophobicContact CZ-CG1 3.91Å; F6-I10 WeakPolarHBondContact O-CG1 3.26Å; F6-I10 PolarHBondContact O-N 3.49Å
7	K	86.8	Confident	84.2	Confident	141 Å²	141	113.8 Å²	113.8	61%	0.613	58%	0.576	S	S	*	*	H	α-helix	trans	-60.5	-44.8	175.2	-75	-177.3	179.8	-175.1	0	112.1	S3 H4 I10 A11	S3-K7 WeakPolarHBondContact O-CG 3.48Å; S3-K7 PolarHBondContact O-N 3.49Å; S3-K7 VanDerWaalsContact O-N 3.1Å; H4-K7 PolarHBondContact O-N 3.24Å; K7-I10 PolarHBondContact O-N 3.36Å; K7-A11 WeakPolarHBondContact O-CB 3.38Å; K7-A11 PolarHBondContact O-N 2.91Å
8	W	88.8	Confident	83.7	Confident	181 Å²	181	111 Å²	111	69%	0.686	57%	0.569	S	S	*	*	H	α-helix	trans	-63.8	-41.7	176.3	-76.5	111.2	0	0	0	111.8	H4 M5 F6 A11 V12	H4-W8 PolarHBondContact O-N 2.97Å; M5-W8 PolarHBondContact O-N 3.48Å; F6-W8 PolarHBondContact O-N 2.95Å; W8-A11 PolarHBondContact O-N 2.95Å; W8-V12 VanDerWaalsContact O-CG2 3.3Å; W8-V12 WeakPolarHBondContact O-CG2 3.37Å; W8-V12 PolarHBondContact O-N 3.31Å
9	Y	90.2	Very high	83.1	Confident	150 Å²	150	108.8 Å²	108.8	59%	0.588	57%	0.565	S	S	*	*	H	α-helix	trans	-60	-50	175.8	178.5	-101.2	0	0	0	112	M5 F6 A11 V12 V13	M5-Y9 WeakPolarHBondContact O-CB 3.37Å; M5-Y9 PolarHBondContact O-N 3.46Å; F6-Y9 PolarHBondContact O-N 3.26Å; Y9-A11 VanDerWaalsContact C-N 3.33Å; Y9-A11 PolarHBondContact O-N 3.42Å; Y9-V12 PolarHBondContact O-N 3.43Å; Y9-V13 HydrophobicContact CD1-CG2 4.25Å; Y9-V13 HydrophobicContact CE1-CG2 3.86Å; Y9-V13 HydrophobicContact CE2-CG2 4.13Å; Y9-V13 WeakPolarHBondContact O-CG2 3.3Å; Y9-V13 PolarHBondContact O-N 3.49Å
10	I	89.6	Confident	82.6	Confident	66 Å²	66	111.1 Å²	111.1	34%	0.338	57%	0.574	S	S	.	*	H	α-helix	trans	-62.4	-40.2	178	-63.8	-61.9	0	0	0	111.3	F6 K7 V12 V13 I14	F6-I10 HydrophobicContact CD1-CG1 4.14Å; F6-I10 HydrophobicContact CE1-CD1 4.3Å; F6-I10 HydrophobicContact CE1-CG1 3.77Å; F6-I10 HydrophobicContact CE2-CD1 4.35Å; F6-I10 HydrophobicContact CE2-CG1 4.38Å; F6-I10 HydrophobicContact CZ-CD1 3.94Å; F6-I10 HydrophobicContact CZ-CG1 3.91Å; F6-I10 WeakPolarHBondContact O-CG1 3.26Å; F6-I10 PolarHBondContact O-N 3.49Å; K7-I10 PolarHBondContact O-N 3.36Å; I10-V12 PolarHBondContact O-N 2.85Å; I10-V13 PolarHBondContact O-N 3.29Å; I10-I14 HydrophobicContact CG2-CD1 3.7Å; I10-I14 HydrophobicContact CG2-CG1 4.28Å; I10-I14 WeakPolarHBondContact O-CB 3.33Å; I10-I14 VanDerWaalsContact O-CG1 3.26Å; I10-I14 WeakPolarHBondContact O-CG1 3.49Å; I10-I14 PolarHBondContact O-N 3.34Å
11	A	89.6	Confident	82	Confident	52 Å²	52	112.8 Å²	112.8	43%	0.43	58%	0.582	S	S	.	*	H	α-helix	trans	-62.2	-42.7	176.5	0	0	0	0	0	112.3	K7 W8 Y9 I14 L15	K7-A11 WeakPolarHBondContact O-CB 3.38Å; K7-A11 PolarHBondContact O-N 2.91Å; W8-A11 PolarHBondContact O-N 2.95Å; Y9-A11 VanDerWaalsContact C-N 3.33Å; Y9-A11 PolarHBondContact O-N 3.42Å; A11-I14 PolarHBondContact O-N 2.91Å; A11-L15 WeakPolarHBondContact O-CB 3.48Å; A11-L15 PolarHBondContact O-N 2.89Å
12	V	90	Very high	82.3	Confident	82 Å²	82	111 Å²	111	50%	0.497	57%	0.57	S	S	.	*	H	α-helix	trans	-65	-42.7	175.5	171.8	0	0	0	0	111	W8 Y9 I10 L15 C16	W8-V12 VanDerWaalsContact O-CG2 3.3Å; W8-V12 WeakPolarHBondContact O-CG2 3.37Å; W8-V12 PolarHBondContact O-N 3.31Å; Y9-V12 PolarHBondContact O-N 3.43Å; I10-V12 PolarHBondContact O-N 2.85Å; V12-L15 PolarHBondContact O-N 3.34Å; V12-C16 WeakPolarHBondContact O-CB 3.49Å; V12-C16 PolarHBondContact O-N 2.95Å; V12-C16 PolarHBondContact O-SG 3.48Å
13	V	88.2	Confident	82.2	Confident	57 Å²	57	111 Å²	111	35%	0.345	57%	0.571	S	S	.	*	H	α-helix	trans	-61.7	-46.8	176.8	171.6	0	0	0	0	111	Y9 I10 L15 C16 T17	Y9-V13 HydrophobicContact CD1-CG2 4.25Å; Y9-V13 HydrophobicContact CE1-CG2 3.86Å; Y9-V13 HydrophobicContact CE2-CG2 4.13Å; Y9-V13 WeakPolarHBondContact O-CG2 3.3Å; Y9-V13 PolarHBondContact O-N 3.49Å; I10-V13 PolarHBondContact O-N 3.29Å; V13-L15 VanDerWaalsContact C-N 3.35Å; V13-L15 PolarHBondContact O-N 3.35Å; V13-C16 PolarHBondContact O-N 2.85Å; V13-T17 HydrophobicContact CG1-CG2 4.5Å; V13-T17 WeakPolarHBondContact O-CG2 3.38Å; V13-T17 PolarHBondContact O-N 3.24Å; V13-T17 PolarHBondContact O-OG1 3.32Å
14	I	86.4	Confident	82.1	Confident	104 Å²	104	116.2 Å²	116.2	53%	0.533	59%	0.587	S	S	.	*	H	α-helix	trans	-59.3	-47.8	176.9	-68.9	167.4	0	0	0	110.1	I10 A11 C16 T17 S18	I10-I14 HydrophobicContact CG2-CD1 3.7Å; I10-I14 HydrophobicContact CG2-CG1 4.28Å; I10-I14 WeakPolarHBondContact O-CB 3.33Å; I10-I14 VanDerWaalsContact O-CG1 3.26Å; I10-I14 WeakPolarHBondContact O-CG1 3.49Å; I10-I14 PolarHBondContact O-N 3.34Å; A11-I14 PolarHBondContact O-N 2.91Å; I14-C16 PolarHBondContact O-N 3.47Å; I14-T17 WeakPolarHBondContact CA-OG1 3.32Å; I14-T17 PolarHBondContact O-N 2.92Å; I14-T17 PolarHBondContact O-OG1 3.39Å; I14-S18 WeakPolarHBondContact O-CB 3.35Å; I14-S18 PolarHBondContact O-N 3.21Å; I14-S18 PolarHBondContact O-OG 3.45Å
15	L	85	Confident	82.2	Confident	122 Å²	122	115.6 Å²	115.6	64%	0.639	60%	0.597	S	S	*	*	H	α-helix	trans	-59	-47	178.3	-165.6	73.5	0	0	0	111.2	A11 V12 V13 T17 S18 S19	A11-L15 WeakPolarHBondContact O-CB 3.48Å; A11-L15 PolarHBondContact O-N 2.89Å; V12-L15 PolarHBondContact O-N 3.34Å; V13-L15 VanDerWaalsContact C-N 3.35Å; V13-L15 PolarHBondContact O-N 3.35Å; L15-T17 PolarHBondContact O-N 3.31Å; L15-S18 WeakPolarHBondContact CA-OG 3.5Å; L15-S18 PolarHBondContact O-N 2.9Å; L15-S18 PolarHBondContact O-OG 2.89Å; L15-S19 PolarHBondContact O-N 2.9Å; L15-S19 VanDerWaalsContact O-N 3.1Å; L15-S19 PolarHBondContact O-OG 3.49Å
16	C	83.5	Confident	82.3	Confident	68 Å²	68	113.3 Å²	113.3	46%	0.459	60%	0.6	S	S	.	*	H	α-helix	trans	-60.4	-41.1	175.7	-78.9	0	0	0	0	112.8	V12 V13 I14 S19 M20	V12-C16 WeakPolarHBondContact O-CB 3.49Å; V12-C16 PolarHBondContact O-N 2.95Å; V12-C16 PolarHBondContact O-SG 3.48Å; V13-C16 PolarHBondContact O-N 2.85Å; I14-C16 PolarHBondContact O-N 3.47Å; C16-S19 PolarHBondContact O-OG 2.95Å; C16-M20 VanDerWaalsContact O-CG 3.24Å; C16-M20 WeakPolarHBondContact O-CG 3.41Å
17	T	79.8	Confident	82.4	Confident	87 Å²	87	113.9 Å²	113.9	53%	0.534	61%	0.614	S	S	.	*	H	α-helix	trans	-70.9	-32.7	177.6	56	0	0	0	0	112.5	V13 I14 L15 M20	V13-T17 HydrophobicContact CG1-CG2 4.5Å; V13-T17 WeakPolarHBondContact O-CG2 3.38Å; V13-T17 PolarHBondContact O-N 3.24Å; V13-T17 PolarHBondContact O-OG1 3.32Å; I14-T17 WeakPolarHBondContact CA-OG1 3.32Å; I14-T17 PolarHBondContact O-N 2.92Å; I14-T17 PolarHBondContact O-OG1 3.39Å; L15-T17 PolarHBondContact O-N 3.31Å; T17-M20 PolarHBondContact O-N 3.25Å
18	S	74.7	Confident	82.6	Confident	64 Å²	64	113.7 Å²	113.7	45%	0.448	61%	0.614	S	S	.	*	H	α-helix	trans	-71.6	-34.4	179.1	67.2	0	0	0	0	113	I14 L15 M20	I14-S18 WeakPolarHBondContact O-CB 3.35Å; I14-S18 PolarHBondContact O-N 3.21Å; I14-S18 PolarHBondContact O-OG 3.45Å; L15-S18 WeakPolarHBondContact CA-OG 3.5Å; L15-S18 PolarHBondContact O-N 2.9Å; L15-S18 PolarHBondContact O-OG 2.89Å; S18-M20 PolarHBondContact O-N 3.39Å
19	S	71.5	Confident	82.7	Confident	70 Å²	70	111.7 Å²	111.7	49%	0.49	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.3	-12.9	177.8	56	0	0	0	0	114.1	L15 C16	L15-S19 PolarHBondContact O-N 2.9Å; L15-S19 VanDerWaalsContact O-N 3.1Å; L15-S19 PolarHBondContact O-OG 3.49Å; C16-S19 PolarHBondContact O-OG 2.95Å
20	M	73.3	Confident	82.8	Confident	154 Å²	154	106.3 Å²	106.3	76%	0.759	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-6.8	-177.3	-63	-68.1	153.5	0	0	113.4	C16 T17 S18 E22	C16-M20 VanDerWaalsContact O-CG 3.24Å; C16-M20 WeakPolarHBondContact O-CG 3.41Å; T17-M20 PolarHBondContact O-N 3.25Å; S18-M20 PolarHBondContact O-N 3.39Å; M20-E22 VanDerWaalsContact C-N 3.31Å; M20-E22 PolarHBondContact O-N 3.05Å
21	M	71.1	Confident	83	Confident	147 Å²	147	107.7 Å²	107.7	72%	0.724	62%	0.618	S	S	*	*			trans	-90.9	64.1	174.1	-74.1	-176.1	-66.5	0	0	110.6	I23	M21-I23 PolarHBondContact O-N 3.26Å
22	E	69.3	Low	83.3	Confident	164 Å²	164	109.5 Å²	109.5	77%	0.766	62%	0.619	S	S	*	*			trans	-81	101.3	161.8	-73.3	-176.3	163.9	0	0	107.6	M20 E24	M20-E22 VanDerWaalsContact C-N 3.31Å; M20-E22 PolarHBondContact O-N 3.05Å; E22-E24 PolarHBondContact O-N 2.87Å
23	I	74.5	Confident	83.6	Confident	155 Å²	155	109.4 Å²	109.4	80%	0.795	61%	0.613	S	S	*	*			trans	-79.7	98.5	170.8	-58.5	173.1	0	0	0	106.6	M21 S25	M21-I23 PolarHBondContact O-N 3.26Å; I23-S25 PolarHBondContact O-N 3.33Å; I23-S25 VanDerWaalsContact O-N 3.16Å
24	E	80	Confident	83.9	Confident	182 Å²	182	112.4 Å²	112.4	85%	0.85	62%	0.622	S	S	*	*			trans	-71	104.7	169.1	-68.9	-174.1	169.3	0	0	109.2	E22	E22-E24 PolarHBondContact O-N 2.87Å
25	S	83.3	Confident	84.1	Confident	112 Å²	112	110.9 Å²	110.9	78%	0.783	61%	0.61	S	S	*	*			trans	-91.1	127.8	172.3	64.7	0	0	0	0	110.2	I23	I23-S25 PolarHBondContact O-N 3.33Å; I23-S25 VanDerWaalsContact O-N 3.16Å
26	A	86.1	Confident	84.5	Confident	88 Å²	88	115 Å²	115	73%	0.727	63%	0.626	S	S	*	*			trans	-116.2	130	168.8	0	0	0	0	0	109.9
27	T	88.9	Confident	84.8	Confident	146 Å²	146	117.4 Å²	117.4	90%	0.896	64%	0.639	S	S	*	*			trans	-96.6	130.5	169.3	54.5	0	0	0	0	108.9
28	F	90.6	Very high	85.4	Confident	137 Å²	137	115.8 Å²	115.8	60%	0.601	64%	0.639	S	S	*	*			trans	-136.2	161.5	177.3	59.2	-86.2	0	0	0	110.4	V30 L44	F28-V30 HydrophobicContact CD2-CG2 3.5Å; F28-V30 VanDerWaalsContact CD2-CG2 3.5Å; F28-V30 HydrophobicContact CE2-CG2 3.35Å; F28-L44 HydrophobicContact CE2-CD1 3.7Å; F28-L44 HydrophobicContact CE2-CD2 4.14Å; F28-L44 HydrophobicContact CZ-CD1 4.09Å; F28-L44 HydrophobicContact CZ-CD2 3.99Å
29	T	91.7	Very high	86.3	Confident	139 Å²	139	115.6 Å²	115.6	85%	0.853	63%	0.631	S	S	*	*			trans	-115.5	128.2	173.2	-55.2	0	0	0	0	107.9
30	V	92.5	Very high	87.4	Confident	36 Å²	36	116.4 Å²	116.4	22%	0.218	63%	0.628	C	S	.	*	P	Polyproline II helix	trans	-101.9	134.4	175.7	-172.6	0	0	0	0	107.8	F28 V42 S43 L44	F28-V30 HydrophobicContact CD2-CG2 3.5Å; F28-V30 VanDerWaalsContact CD2-CG2 3.5Å; F28-V30 HydrophobicContact CE2-CG2 3.35Å; V30-V42 HydrophobicContact CG1-CB 4.18Å; V30-S43 WeakPolarHBondContact CG1-O 3.32Å; V30-L44 HydrophobicContact CG2-CD1 4.11Å
31	P	94.2	Very high	88.5	Confident	96 Å²	96	110.6 Å²	110.6	62%	0.623	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-61	142.2	173.5	26.7	-34.5	0	0	0	110.4
32	I	95.9	Very high	89.7	Confident	89 Å²	89	105.5 Å²	105.5	46%	0.456	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.4	139.6	171.8	57.1	170.7	0	0	0	109.2	F34 M40 V42	I32-F34 HydrophobicContact CD1-CE2 3.93Å; I32-F34 HydrophobicContact CD1-CZ 3.9Å; I32-F34 HydrophobicContact CG1-CE2 4.22Å; I32-M40 HydrophobicContact CB-CE 3.66Å; I32-M40 HydrophobicContact CB-CG 4.21Å; I32-M40 HydrophobicContact CB-SD 4.3Å; I32-M40 HydrophobicContact CD1-CE 3.35Å; I32-M40 HydrophobicContact CG1-CE 4.07Å; I32-M40 HydrophobicContact CG2-CE 3.43Å; I32-M40 VanDerWaalsContact CG2-CE 3.43Å; I32-M40 HydrophobicContact CG2-CG 4.28Å; I32-M40 HydrophobicContact CG2-SD 3.81Å; I32-V42 HydrophobicContact CG2-CG1 4.1Å
33	E	95.7	Very high	90.9	Very high	80 Å²	80	99.9 Å²	99.9	37%	0.374	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121	162.9	173.4	-68.8	178.2	-137.7	0	0	109.2	M40 Y41	E33-M40 CarbonylContact O-C 3.54Å; E33-M40 WeakPolarHBondContact O-CA 3.41Å; E33-Y41 HydrophobicContact CB-CD1 4.09Å; E33-Y41 HydrophobicContact CB-CD2 4.18Å; E33-Y41 HydrophobicContact CB-CE1 3.6Å; E33-Y41 HydrophobicContact CB-CE2 3.65Å; E33-Y41 HydrophobicContact CB-CG 4.37Å; E33-Y41 HydrophobicContact CG-CE2 4.32Å; E33-Y41 PolarHBondContact N-O 3.43Å; E33-Y41 PolarHBondContact O-N 3.32Å; E33-Y41 WeakPolarHBondContact OE2-CE2 3.5Å; E33-Y41 PolarHBondContact OE2-OH 2.96Å
34	F	94.5	Very high	91.8	Very high	121 Å²	121	95.1 Å²	95.1	53%	0.531	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.2	-177.7	-66.3	-91.1	0	0	0	110.1	I32 G38 Q39 M40	I32-F34 HydrophobicContact CD1-CE2 3.93Å; I32-F34 HydrophobicContact CD1-CZ 3.9Å; I32-F34 HydrophobicContact CG1-CE2 4.22Å; F34-G38 WeakPolarHBondContact CD1-O 3.46Å; F34-Q39 WeakPolarHBondContact CA-O 3.24Å; F34-M40 HydrophobicContact CD1-CB 4.33Å; F34-M40 HydrophobicContact CE1-CB 4.07Å; F34-M40 HydrophobicContact CZ-CE 4.38Å
35	Y	90.6	Very high	92.4	Very high	71 Å²	71	93.9 Å²	93.9	28%	0.278	53%	0.529	S	S	.	.			trans	-66.7	161.6	165.1	-67.5	-67.3	0	0	0	110.1	T37 G38 Q39 Y41	Y35-T37 PolarHBondContact O-N 3.1Å; Y35-G38 WeakPolarHBondContact O-CA 3.36Å; Y35-G38 PolarHBondContact O-N 3.35Å; Y35-Q39 HydrophobicContact CD2-CB 4.09Å; Y35-Q39 HydrophobicContact CD2-CG 4.14Å; Y35-Q39 WeakPolarHBondContact CD2-O 3.29Å; Y35-Q39 PolarHBondContact N-O 2.75Å; Y35-Y41 HydrophobicContact CD1-CD1 4.03Å; Y35-Y41 AromaticContact CD1-CE1 3.88Å; Y35-Y41 HydrophobicContact CD1-CE1 3.88Å; Y35-Y41 AromaticContact CD2-CD1 3.55Å; Y35-Y41 HydrophobicContact CD2-CD1 3.55Å; Y35-Y41 HydrophobicContact CD2-CE1 4.21Å; Y35-Y41 HydrophobicContact CD2-CG 4.33Å; Y35-Y41 AromaticContact CE1-CD1 3.85Å; Y35-Y41 HydrophobicContact CE1-CD1 3.85Å; Y35-Y41 AromaticContact CE1-CE1 3.82Å; Y35-Y41 HydrophobicContact CE1-CE1 3.82Å; Y35-Y41 HydrophobicContact CE1-CG 4.44Å; Y35-Y41 AromaticContact CE2-CD1 3.36Å; Y35-Y41 HydrophobicContact CE2-CD1 3.36Å; Y35-Y41 HydrophobicContact CE2-CE1 4.17Å; Y35-Y41 AromaticContact CE2-CG 3.72Å; Y35-Y41 HydrophobicContact CE2-CG 3.72Å; Y35-Y41 AromaticContact CG-CD1 3.89Å; Y35-Y41 HydrophobicContact CG-CD1 3.89Å; Y35-Y41 HydrophobicContact CG-CE1 4.07Å; Y35-Y41 AromaticContact CZ-CD1 3.51Å; Y35-Y41 AromaticContact CZ-CE1 3.96Å; Y35-Y41 AromaticContact CZ-CG 3.76Å
36	E	92.5	Very high	92.8	Very high	208 Å²	208	90.7 Å²	90.7	97%	0.972	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-25.1	174.8	-64	178.3	179.4	0	0	113	G38	E36-G38 PolarHBondContact O-N 3.47Å
37	T	91.2	Very high	93.3	Very high	120 Å²	120	88.6 Å²	88.6	74%	0.736	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-3	174.8	60.7	0	0	0	0	114	Y35 Q39	Y35-T37 PolarHBondContact O-N 3.1Å; T37-Q39 VanDerWaalsContact C-N 3.25Å; T37-Q39 PolarHBondContact O-N 3.44Å; T37-Q39 PolarHBondContact OG1-N 3.24Å
38	G	91.7	Very high	93.7	Very high	52 Å²	52	83.6 Å²	83.6	54%	0.536	46%	0.459	S	S	.	.	S	Bend	trans	78.7	3.6	-172.2	0	0	0	0	0	114.1	F34 Y35 E36	F34-G38 WeakPolarHBondContact CD1-O 3.46Å; Y35-G38 WeakPolarHBondContact O-CA 3.36Å; Y35-G38 PolarHBondContact O-N 3.35Å; E36-G38 PolarHBondContact O-N 3.47Å
39	Q	92.7	Very high	94	Very high	61 Å²	61	79.6 Å²	79.6	29%	0.285	44%	0.444	S	S	.	.			trans	-75.1	129.2	177	176.1	176	93.2	0	0	111.1	F34 Y35 T37	F34-Q39 WeakPolarHBondContact CA-O 3.24Å; Y35-Q39 HydrophobicContact CD2-CB 4.09Å; Y35-Q39 HydrophobicContact CD2-CG 4.14Å; Y35-Q39 WeakPolarHBondContact CD2-O 3.29Å; Y35-Q39 PolarHBondContact N-O 2.75Å; T37-Q39 VanDerWaalsContact C-N 3.25Å; T37-Q39 PolarHBondContact O-N 3.44Å; T37-Q39 PolarHBondContact OG1-N 3.24Å
40	M	94.9	Very high	94.2	Very high	86 Å²	86	73.2 Å²	73.2	42%	0.424	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	142	173.3	174.6	-172.7	-83.4	0	0	111.9	I32 E33 F34 S50	I32-M40 HydrophobicContact CB-CE 3.66Å; I32-M40 HydrophobicContact CB-CG 4.21Å; I32-M40 HydrophobicContact CB-SD 4.3Å; I32-M40 HydrophobicContact CD1-CE 3.35Å; I32-M40 HydrophobicContact CG1-CE 4.07Å; I32-M40 HydrophobicContact CG2-CE 3.43Å; I32-M40 VanDerWaalsContact CG2-CE 3.43Å; I32-M40 HydrophobicContact CG2-CG 4.28Å; I32-M40 HydrophobicContact CG2-SD 3.81Å; E33-M40 CarbonylContact O-C 3.54Å; E33-M40 WeakPolarHBondContact O-CA 3.41Å; F34-M40 HydrophobicContact CD1-CB 4.33Å; F34-M40 HydrophobicContact CE1-CB 4.07Å; F34-M40 HydrophobicContact CZ-CE 4.38Å; M40-S50 WeakPolarHBondContact O-CB 3.41Å
41	Y	96.7	Very high	94.4	Very high	33 Å²	33	76 Å²	76	13%	0.129	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	163.6	160.6	70.1	-84.8	0	0	0	110.8	E33 Y35 N48 I49	E33-Y41 HydrophobicContact CB-CD1 4.09Å; E33-Y41 HydrophobicContact CB-CD2 4.18Å; E33-Y41 HydrophobicContact CB-CE1 3.6Å; E33-Y41 HydrophobicContact CB-CE2 3.65Å; E33-Y41 HydrophobicContact CB-CG 4.37Å; E33-Y41 HydrophobicContact CG-CE2 4.32Å; E33-Y41 PolarHBondContact N-O 3.43Å; E33-Y41 PolarHBondContact O-N 3.32Å; E33-Y41 WeakPolarHBondContact OE2-CE2 3.5Å; E33-Y41 PolarHBondContact OE2-OH 2.96Å; Y35-Y41 HydrophobicContact CD1-CD1 4.03Å; Y35-Y41 AromaticContact CD1-CE1 3.88Å; Y35-Y41 HydrophobicContact CD1-CE1 3.88Å; Y35-Y41 AromaticContact CD2-CD1 3.55Å; Y35-Y41 HydrophobicContact CD2-CD1 3.55Å; Y35-Y41 HydrophobicContact CD2-CE1 4.21Å; Y35-Y41 HydrophobicContact CD2-CG 4.33Å; Y35-Y41 AromaticContact CE1-CD1 3.85Å; Y35-Y41 HydrophobicContact CE1-CD1 3.85Å; Y35-Y41 AromaticContact CE1-CE1 3.82Å; Y35-Y41 HydrophobicContact CE1-CE1 3.82Å; Y35-Y41 HydrophobicContact CE1-CG 4.44Å; Y35-Y41 AromaticContact CE2-CD1 3.36Å; Y35-Y41 HydrophobicContact CE2-CD1 3.36Å; Y35-Y41 HydrophobicContact CE2-CE1 4.17Å; Y35-Y41 AromaticContact CE2-CG 3.72Å; Y35-Y41 HydrophobicContact CE2-CG 3.72Å; Y35-Y41 AromaticContact CG-CD1 3.89Å; Y35-Y41 HydrophobicContact CG-CD1 3.89Å; Y35-Y41 HydrophobicContact CG-CE1 4.07Å; Y35-Y41 AromaticContact CZ-CD1 3.51Å; Y35-Y41 AromaticContact CZ-CE1 3.96Å; Y35-Y41 AromaticContact CZ-CG 3.76Å; Y41-N48 HydrophobicContact CD2-CB 4.16Å; Y41-I49 CarbonylContact C-O 3.58Å; Y41-I49 VanDerWaalsContact CA-O 3.29Å; Y41-I49 WeakPolarHBondContact CA-O 3.27Å; Y41-I49 WeakPolarHBondContact CB-O 3.36Å
42	V	96.9	Very high	94.3	Very high	39 Å²	39	73.6 Å²	73.6	24%	0.236	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.6	167.7	-63.2	0	0	0	0	108.9	V30 I32 N48 I49	V30-V42 HydrophobicContact CG1-CB 4.18Å; I32-V42 HydrophobicContact CG2-CG1 4.1Å; V42-N48 CarbonylContact O-C 3.58Å; V42-N48 WeakPolarHBondContact O-CA 3.23Å; V42-I49 HydrophobicContact CG2-CB 3.88Å; V42-I49 PolarHBondContact N-O 2.99Å; V42-I49 PolarHBondContact O-N 3.43Å
43	S	94.8	Very high	94	Very high	46 Å²	46	74.5 Å²	74.5	32%	0.322	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	112.4	173.9	-175.4	0	0	0	0	108.8	V30 N48	V30-S43 WeakPolarHBondContact CG1-O 3.32Å; S43-N48 PolarHBondContact OG-OD1 3.11Å
44	L	93.4	Very high	93.9	Very high	56 Å²	56	75.9 Å²	75.9	29%	0.293	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121	178.2	-177.3	63.8	0	0	0	109.3	F28 V30 G46 V47	F28-L44 HydrophobicContact CE2-CD1 3.7Å; F28-L44 HydrophobicContact CE2-CD2 4.14Å; F28-L44 HydrophobicContact CZ-CD1 4.09Å; F28-L44 HydrophobicContact CZ-CD2 3.99Å; V30-L44 HydrophobicContact CG2-CD1 4.11Å; L44-G46 PolarHBondContact O-N 3.22Å; L44-G46 VanDerWaalsContact O-N 3.08Å; L44-V47 PolarHBondContact N-O 3.25Å; L44-V47 WeakPolarHBondContact O-CA 3.46Å; L44-V47 WeakPolarHBondContact O-CB 3.21Å; L44-V47 PolarHBondContact O-N 3.34Å
45	D	91.6	Very high	93.9	Very high	156 Å²	156	74.5 Å²	74.5	83%	0.834	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	38.2	176.1	-60.9	-25.9	0	0	0	114.6	V47	D45-V47 VanDerWaalsContact C-N 3.29Å; D45-V47 PolarHBondContact O-N 3.29Å
46	G	92.5	Very high	94.2	Very high	45 Å²	45	73.4 Å²	73.4	46%	0.464	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	12.8	-179.6	0	0	0	0	0	114.7	L44	L44-G46 PolarHBondContact O-N 3.22Å; L44-G46 VanDerWaalsContact O-N 3.08Å
47	V	96.2	Very high	94.4	Very high	44 Å²	44	65.2 Å²	65.2	27%	0.267	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.8	169.8	-171	0	0	0	0	109	L44 D45 I49 M59 K60 N61	L44-V47 PolarHBondContact N-O 3.25Å; L44-V47 WeakPolarHBondContact O-CA 3.46Å; L44-V47 WeakPolarHBondContact O-CB 3.21Å; L44-V47 PolarHBondContact O-N 3.34Å; D45-V47 VanDerWaalsContact C-N 3.29Å; D45-V47 PolarHBondContact O-N 3.29Å; V47-I49 HydrophobicContact CG1-CG1 4Å; V47-M59 HydrophobicContact CG1-CB 4.19Å; V47-K60 CarbonylContact C-O 3.57Å; V47-K60 WeakPolarHBondContact CA-O 3.27Å; V47-N61 HydrophobicContact CG2-CB 4.27Å
48	N	96.5	Very high	94.7	Very high	40 Å²	40	60.9 Å²	60.9	21%	0.214	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	123.5	169.3	-67.3	12.2	0	0	0	108.4	Y41 V42 S43 M59 K60	Y41-N48 HydrophobicContact CD2-CB 4.16Å; V42-N48 CarbonylContact O-C 3.58Å; V42-N48 WeakPolarHBondContact O-CA 3.23Å; S43-N48 PolarHBondContact OG-OD1 3.11Å; N48-M59 CarbonylContact O-C 3.56Å; N48-M59 WeakPolarHBondContact O-CA 3.26Å; N48-K60 HydrophobicContact CB-CB 4.44Å; N48-K60 PolarHBondContact N-O 2.76Å; N48-K60 PolarHBondContact O-N 3.35Å
49	I	97	Very high	95	Very high	53 Å²	53	61.8 Å²	61.8	27%	0.272	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.4	-179.1	-53.2	169.1	0	0	0	107.7	Y41 V42 V47 L57 T58 M59	Y41-I49 CarbonylContact C-O 3.58Å; Y41-I49 VanDerWaalsContact CA-O 3.29Å; Y41-I49 WeakPolarHBondContact CA-O 3.27Å; Y41-I49 WeakPolarHBondContact CB-O 3.36Å; V42-I49 HydrophobicContact CG2-CB 3.88Å; V42-I49 PolarHBondContact N-O 2.99Å; V42-I49 PolarHBondContact O-N 3.43Å; V47-I49 HydrophobicContact CG1-CG1 4Å; I49-L57 HydrophobicContact CG2-CD1 3.75Å; I49-T58 CarbonylContact C-O 3.59Å; I49-T58 WeakPolarHBondContact CA-O 3Å; I49-M59 HydrophobicContact CG1-CG 4.48Å
50	S	96.7	Very high	95.1	Very high	6 Å²	6	63.2 Å²	63.2	4%	0.042	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151	174.1	66.6	0	0	0	0	111.6	M40 L57 T58	M40-S50 WeakPolarHBondContact O-CB 3.41Å; S50-L57 CarbonylContact O-C 3.6Å; S50-L57 WeakPolarHBondContact O-CA 3.5Å; S50-T58 PolarHBondContact N-O 3.49Å; S50-T58 PolarHBondContact O-N 3.12Å
51	L	95.5	Very high	95.1	Very high	95 Å²	95	62.4 Å²	62.4	50%	0.497	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.3	171.6	-177.9	64.3	0	0	0	107.8	L57 L70	L51-L57 HydrophobicContact CD1-CB 4.42Å; L51-L70 HydrophobicContact CD1-CD1 4.31Å
52	N	92.1	Very high	94.9	Very high	45 Å²	45	70.6 Å²	70.6	24%	0.241	38%	0.378	C	S	.	.			trans	-94.3	173.7	179.9	77	9	0	0	0	112.4	N54 H55 M56	N52-N54 PolarHBondContact O-N 2.79Å; N52-N54 VanDerWaalsContact O-N 3.11Å; N52-N54 WeakPolarHBondContact OD1-CA 3.08Å; N52-N54 WeakPolarHBondContact OD1-CB 3.43Å; N52-N54 PolarHBondContact OD1-N 3Å; N52-H55 PolarHBondContact O-N 2.85Å; N52-H55 PolarHBondContact OD1-N 3.16Å; N52-M56 PolarHBondContact N-O 3.16Å; N52-M56 WeakPolarHBondContact OD1-CB 3.33Å; N52-M56 PolarHBondContact OD1-N 2.95Å
53	S	91.3	Very high	94.8	Very high	108 Å²	108	74.5 Å²	74.5	76%	0.755	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.4	178.1	56.9	0	0	0	0	114.4	H55	S53-H55 VanDerWaalsContact C-N 3.27Å
54	N	92.4	Very high	94.8	Very high	109 Å²	109	73.7 Å²	73.7	58%	0.583	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	13.4	178.6	-59	-8.4	0	0	0	111.7	N52 M56	N52-N54 PolarHBondContact O-N 2.79Å; N52-N54 VanDerWaalsContact O-N 3.11Å; N52-N54 WeakPolarHBondContact OD1-CA 3.08Å; N52-N54 WeakPolarHBondContact OD1-CB 3.43Å; N52-N54 PolarHBondContact OD1-N 3Å; N54-M56 HydrophobicContact CB-CG 4.39Å; N54-M56 PolarHBondContact O-N 3.21Å
55	H	94.6	Very high	95	Very high	91 Å²	91	73 Å²	73	42%	0.421	39%	0.386	S	S	.	.			trans	59.6	27	-176.1	-51	86.2	0	0	0	113.4	N52 S53 L70	N52-H55 PolarHBondContact O-N 2.85Å; N52-H55 PolarHBondContact OD1-N 3.16Å; S53-H55 VanDerWaalsContact C-N 3.27Å; H55-L70 HydrophobicContact CB-CB 4.48Å; H55-L70 WeakPolarHBondContact O-CA 3.31Å; H55-L70 WeakPolarHBondContact O-CB 3.5Å; H55-L70 PolarHBondContact O-N 2.85Å
56	M	96.5	Very high	95.3	Very high	49 Å²	49	67.6 Å²	67.6	24%	0.241	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	112.7	172.7	-63.1	-62.3	-57.1	0	0	109.6	N52 N54 S69	N52-M56 PolarHBondContact N-O 3.16Å; N52-M56 WeakPolarHBondContact OD1-CB 3.33Å; N52-M56 PolarHBondContact OD1-N 2.95Å; N54-M56 HydrophobicContact CB-CG 4.39Å; N54-M56 PolarHBondContact O-N 3.21Å; M56-S69 WeakPolarHBondContact SD-CA 3.07Å
57	L	97.1	Very high	95.5	Very high	35 Å²	35	66.9 Å²	66.9	18%	0.183	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.5	167.8	179.3	69.3	0	0	0	108.5	I49 S50 L51 M59 T67 L68 L70	I49-L57 HydrophobicContact CG2-CD1 3.75Å; S50-L57 CarbonylContact O-C 3.6Å; S50-L57 WeakPolarHBondContact O-CA 3.5Å; L51-L57 HydrophobicContact CD1-CB 4.42Å; L57-M59 HydrophobicContact CD2-CE 4.45Å; L57-M59 HydrophobicContact CD2-CG 4.38Å; L57-M59 HydrophobicContact CD2-SD 4.32Å; L57-M59 HydrophobicContact CG-CG 4.3Å; L57-T67 CarbonylContact O-C 3.57Å; L57-T67 VanDerWaalsContact O-CA 3.26Å; L57-T67 WeakPolarHBondContact O-CA 3.35Å; L57-L68 PolarHBondContact N-O 3.32Å; L57-L68 PolarHBondContact O-N 2.91Å; L57-L70 HydrophobicContact CB-CD1 3.78Å; L57-L70 HydrophobicContact CB-CG 4.02Å; L57-L70 HydrophobicContact CD2-CD1 4.23Å; L57-L70 HydrophobicContact CG-CD1 4.46Å
58	T	97.5	Very high	95.6	Very high	30 Å²	30	67.7 Å²	67.7	18%	0.184	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.9	172.4	-58.1	0	0	0	0	109.1	I49 S50 T65 T66 T67	I49-T58 CarbonylContact C-O 3.59Å; I49-T58 WeakPolarHBondContact CA-O 3Å; S50-T58 PolarHBondContact N-O 3.49Å; S50-T58 PolarHBondContact O-N 3.12Å; T58-T65 HydrophobicContact CG2-CG2 3.8Å; T58-T66 CarbonylContact C-O 3.53Å; T58-T66 WeakPolarHBondContact CA-O 3.41Å; T58-T67 HydrophobicContact CG2-CG2 4.18Å
59	M	97.5	Very high	95.6	Very high	70 Å²	70	66.6 Å²	66.6	35%	0.345	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.5	172.5	-63.2	179.6	-67.2	0	0	108.3	V47 N48 I49 L57 T66	V47-M59 HydrophobicContact CG1-CB 4.19Å; N48-M59 CarbonylContact O-C 3.56Å; N48-M59 WeakPolarHBondContact O-CA 3.26Å; I49-M59 HydrophobicContact CG1-CG 4.48Å; L57-M59 HydrophobicContact CD2-CE 4.45Å; L57-M59 HydrophobicContact CD2-CG 4.38Å; L57-M59 HydrophobicContact CD2-SD 4.32Å; L57-M59 HydrophobicContact CG-CG 4.3Å; M59-T66 HydrophobicContact CE-CG2 4.1Å; M59-T66 PolarHBondContact N-O 2.83Å; M59-T66 PolarHBondContact O-N 2.86Å
60	K	96.1	Very high	95.5	Very high	91 Å²	91	67.9 Å²	67.9	40%	0.396	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.6	-175.8	178.7	-179.2	176.3	-173.4	0	110.1	V47 N48 C64 T65	V47-K60 CarbonylContact C-O 3.57Å; V47-K60 WeakPolarHBondContact CA-O 3.27Å; N48-K60 HydrophobicContact CB-CB 4.44Å; N48-K60 PolarHBondContact N-O 2.76Å; N48-K60 PolarHBondContact O-N 3.35Å; K60-C64 WeakPolarHBondContact CA-O 3.44Å; K60-T65 HydrophobicContact CB-CG2 4.45Å
61	N	94.8	Very high	95.3	Very high	70 Å²	70	70.9 Å²	70.9	37%	0.374	37%	0.368	S	S	.	.			trans	-109.1	-170.4	167.6	70.8	27.8	0	0	0	110.1	V47 H63 C64	V47-N61 HydrophobicContact CG2-CB 4.27Å; N61-H63 PolarHBondContact O-N 2.97Å; N61-H63 WeakPolarHBondContact OD1-CA 3.4Å; N61-H63 PolarHBondContact OD1-N 3.46Å; N61-C64 PolarHBondContact N-O 2.88Å; N61-C64 PolarHBondContact OD1-N 2.05Å; N61-C64 PolarHBondContact OD1-O 2.88Å
62	R	92	Very high	95.3	Very high	204 Å²	204	70.5 Å²	70.5	77%	0.77	37%	0.373	S	S	*	.	S	Bend	trans	-61.4	-25.4	-179.4	-66.7	-175.4	-179.7	178.7	1.1	114.3
63	H	93.6	Very high	95.4	Very high	122 Å²	122	71.9 Å²	71.9	57%	0.565	38%	0.384	S	S	*	.	S	Bend	trans	-111.1	-36.6	-169.9	-60	-62.6	0	0	0	112.9	N61 C91 R92	N61-H63 PolarHBondContact O-N 2.97Å; N61-H63 WeakPolarHBondContact OD1-CA 3.4Å; N61-H63 PolarHBondContact OD1-N 3.46Å; H63-C91 CarbonylContact O-C 3.55Å; H63-C91 WeakPolarHBondContact O-CA 3.47Å; H63-R92 PolarHBondContact O-N 2.53Å
64	C	95.8	Very high	95.6	Very high	29 Å²	29	69.4 Å²	69.4	20%	0.196	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.5	-170	-58.2	0	0	0	0	111.3	K60 N61 L90 C91	K60-C64 WeakPolarHBondContact CA-O 3.44Å; N61-C64 PolarHBondContact N-O 2.88Å; N61-C64 PolarHBondContact OD1-N 2.05Å; N61-C64 PolarHBondContact OD1-O 2.88Å; C64-L90 CarbonylContact C-O 3.57Å; C64-L90 VanDerWaalsContact CA-O 3.31Å; C64-L90 WeakPolarHBondContact CA-O 3.4Å; C64-C91 HydrophobicContact CB-CB 4.12Å; C64-C91 WeakPolarHBondContact CB-SG 3.37Å; C64-C91 WeakPolarHBondContact SG-CB 3.48Å; C64-C91 CovalentContact SG-SG 2.05Å; C64-C91 PolarHBondContact SG-SG 2.9Å
65	T	97.4	Very high	95.9	Very high	41 Å²	41	70.3 Å²	70.3	25%	0.252	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.8	164.2	-56.6	0	0	0	0	107.3	T58 K60 T67 L90	T58-T65 HydrophobicContact CG2-CG2 3.8Å; K60-T65 HydrophobicContact CB-CG2 4.45Å; T65-T67 HydrophobicContact CG2-CG2 4.36Å; T65-L90 PolarHBondContact N-O 2.89Å; T65-L90 PolarHBondContact O-N 3.09Å
66	T	97.5	Very high	96	Very high	43 Å²	43	72.9 Å²	72.9	26%	0.264	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.8	171.4	-56.6	0	0	0	0	108.4	T58 M59 T88 V89	T58-T66 CarbonylContact C-O 3.53Å; T58-T66 WeakPolarHBondContact CA-O 3.41Å; M59-T66 HydrophobicContact CE-CG2 4.1Å; M59-T66 PolarHBondContact N-O 2.83Å; M59-T66 PolarHBondContact O-N 2.86Å; T66-T88 CarbonylContact C-O 3.54Å; T66-T88 WeakPolarHBondContact CA-O 3.44Å; T66-V89 HydrophobicContact CG2-CG2 4.09Å
67	T	97.4	Very high	96.1	Very high	29 Å²	29	72.4 Å²	72.4	18%	0.178	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.7	170.5	64.4	0	0	0	0	109.7	L57 T58 T65 G87 T88	L57-T67 CarbonylContact O-C 3.57Å; L57-T67 VanDerWaalsContact O-CA 3.26Å; L57-T67 WeakPolarHBondContact O-CA 3.35Å; T58-T67 HydrophobicContact CG2-CG2 4.18Å; T65-T67 HydrophobicContact CG2-CG2 4.36Å; T67-G87 CarbonylContact O-C 3.43Å; T67-G87 WeakPolarHBondContact O-CA 3.42Å; T67-T88 PolarHBondContact N-O 2.86Å; T67-T88 PolarHBondContact O-N 3.25Å; T67-T88 PolarHBondContact OG1-OG1 3.23Å
68	L	97.5	Very high	96.1	Very high	62 Å²	62	75.9 Å²	75.9	33%	0.325	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	131.6	178.2	-178.8	66.7	0	0	0	109.3	L57 L70 R85	L57-L68 PolarHBondContact N-O 3.32Å; L57-L68 PolarHBondContact O-N 2.91Å; L68-L70 HydrophobicContact CD2-CD2 3.93Å; L68-L70 HydrophobicContact CG-CD2 4.23Å; L68-R85 HydrophobicContact CD1-CB 3.96Å
69	S	96.6	Very high	96.1	Very high	16 Å²	16	78.4 Å²	78.4	11%	0.112	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	125	170.9	-178.5	0	0	0	0	110.5	M56 T71 R85 E86	M56-S69 WeakPolarHBondContact SD-CA 3.07Å; S69-T71 PolarHBondContact OG-N 2.84Å; S69-T71 PolarHBondContact OG-OG1 3.08Å; S69-R85 WeakPolarHBondContact O-CB 3.39Å; S69-R85 VanDerWaalsContact O-CD 3.27Å; S69-R85 WeakPolarHBondContact O-CD 3.48Å; S69-R85 VanDerWaalsContact O-CG 3.27Å; S69-R85 WeakPolarHBondContact O-CG 3.45Å; S69-E86 PolarHBondContact N-O 3.01Å
70	L	95	Very high	96.1	Very high	81 Å²	81	78.4 Å²	78.4	42%	0.424	43%	0.431	S	S	.	.			trans	-109.4	28.3	171.8	-59	-175.3	0	0	0	111.3	L51 H55 L57 L68 S72	L51-L70 HydrophobicContact CD1-CD1 4.31Å; H55-L70 HydrophobicContact CB-CB 4.48Å; H55-L70 WeakPolarHBondContact O-CA 3.31Å; H55-L70 WeakPolarHBondContact O-CB 3.5Å; H55-L70 PolarHBondContact O-N 2.85Å; L57-L70 HydrophobicContact CB-CD1 3.78Å; L57-L70 HydrophobicContact CB-CG 4.02Å; L57-L70 HydrophobicContact CD2-CD1 4.23Å; L57-L70 HydrophobicContact CG-CD1 4.46Å; L68-L70 HydrophobicContact CD2-CD2 3.93Å; L68-L70 HydrophobicContact CG-CD2 4.23Å; L70-S72 PolarHBondContact O-N 2.7Å
71	T	94	Very high	96.1	Very high	68 Å²	68	82.9 Å²	82.9	42%	0.417	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-52.8	142	174.1	-57.8	0	0	0	0	110.2	S69 R85	S69-T71 PolarHBondContact OG-N 2.84Å; S69-T71 PolarHBondContact OG-OG1 3.08Å; T71-R85 PolarHBondContact O-NE 2.81Å; T71-R85 VanDerWaalsContact O-NE 3.16Å; T71-R85 PolarHBondContact O-NH2 2.79Å
72	S	93.8	Very high	96.1	Very high	88 Å²	88	84.1 Å²	84.1	62%	0.615	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-54.3	142	178.3	-60	0	0	0	0	111.8	L70	L70-S72 PolarHBondContact O-N 2.7Å
73	P	95.6	Very high	96.2	Very high	73 Å²	73	76.4 Å²	76.4	47%	0.474	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-67	147.2	-178.9	28.6	-34.5	0	0	0	113.1	E77 I78	P73-E77 WeakPolarHBondContact CA-OE2 3.49Å; P73-E77 HydrophobicContact CB-CB 4.17Å; P73-I78 HydrophobicContact CB-CD1 4.49Å; P73-I78 HydrophobicContact CB-CG1 3.99Å; P73-I78 HydrophobicContact CG-CD1 4.15Å; P73-I78 HydrophobicContact CG-CG1 3.93Å
74	S	95.5	Very high	96.3	Very high	56 Å²	56	81 Å²	81	39%	0.392	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-73.8	163.9	173.5	85.1	0	0	0	0	111.1	E76 E77 I78	S74-E76 PolarHBondContact O-N 2.92Å; S74-E76 PolarHBondContact OG-N 2.82Å; S74-E77 PolarHBondContact N-OE2 3.21Å; S74-E77 PolarHBondContact O-N 2.81Å; S74-E77 WeakPolarHBondContact OG-CG 3.42Å; S74-E77 PolarHBondContact OG-N 2.79Å; S74-E77 VanDerWaalsContact OG-N 3.11Å; S74-I78 VanDerWaalsContact O-CG1 3.29Å; S74-I78 WeakPolarHBondContact O-CG1 3.36Å; S74-I78 PolarHBondContact O-N 3.35Å
75	V	97.5	Very high	96.2	Very high	128 Å²	128	84 Å²	84	78%	0.776	47%	0.469	S	S	*	.	H	α-helix	trans	-58.1	-36.8	175.2	178.6	0	0	0	0	111.4	A79	V75-A79 VanDerWaalsContact O-CB 3.32Å; V75-A79 WeakPolarHBondContact O-CB 3.4Å; V75-A79 PolarHBondContact O-N 2.94Å
76	E	97.3	Very high	96.1	Very high	146 Å²	146	90 Å²	90	68%	0.682	49%	0.494	S	S	*	.	H	α-helix	trans	-70.4	-41.8	177.7	-174.9	177	-173.5	0	0	112.1	S74 I78 A79 T80	S74-E76 PolarHBondContact O-N 2.92Å; S74-E76 PolarHBondContact OG-N 2.82Å; E76-I78 VanDerWaalsContact C-N 3.3Å; E76-I78 PolarHBondContact O-N 2.79Å; E76-A79 PolarHBondContact O-N 3.22Å; E76-T80 HydrophobicContact CG-CG2 4.4Å; E76-T80 WeakPolarHBondContact O-CB 3.4Å; E76-T80 WeakPolarHBondContact O-CG2 3.43Å; E76-T80 PolarHBondContact O-N 2.94Å; E76-T80 PolarHBondContact O-OG1 3.48Å
77	E	97.9	Very high	96.1	Very high	39 Å²	39	90.2 Å²	90.2	18%	0.182	51%	0.505	C	S	.	.	H	α-helix	trans	-62	-40.7	175.5	-69.8	-179.6	136.1	0	0	111.2	P73 S74 T80 Q81 T82 R85	P73-E77 WeakPolarHBondContact CA-OE2 3.49Å; P73-E77 HydrophobicContact CB-CB 4.17Å; S74-E77 PolarHBondContact N-OE2 3.21Å; S74-E77 PolarHBondContact O-N 2.81Å; S74-E77 WeakPolarHBondContact OG-CG 3.42Å; S74-E77 PolarHBondContact OG-N 2.79Å; S74-E77 VanDerWaalsContact OG-N 3.11Å; E77-T80 PolarHBondContact O-OG1 2.85Å; E77-Q81 WeakPolarHBondContact O-CA 3.29Å; E77-Q81 PolarHBondContact O-N 2.85Å; E77-T82 VanDerWaalsContact CA-O 3.23Å; E77-T82 WeakPolarHBondContact CA-O 3.34Å; E77-T82 WeakPolarHBondContact CB-O 3.32Å; E77-T82 PolarHBondContact O-N 2.96Å; E77-R85 VanDerWaalsContact CD-NH1 3.34Å; E77-R85 IonicContact OE1-CZ 3.79Å; E77-R85 IonicContact OE1-NH1 2.85Å; E77-R85 PolarHBondContact OE1-NH1 2.87Å; E77-R85 IonicContact OE2-CZ 3.53Å; E77-R85 IonicContact OE2-NH1 3Å; E77-R85 PolarHBondContact OE2-NH1 2.86Å; E77-R85 IonicContact OE2-NH2 3.12Å; E77-R85 PolarHBondContact OE2-NH2 2.85Å; E77-R85 VanDerWaalsContact OE2-NH2 3.12Å
78	I	97.4	Very high	96.1	Very high	107 Å²	107	92.2 Å²	92.2	55%	0.549	52%	0.518	S	S	.	.	H	α-helix	trans	-64.3	-46.1	175.4	-65.9	165.6	0	0	0	110.6	P73 S74 E76 T80 Q81	P73-I78 HydrophobicContact CB-CD1 4.49Å; P73-I78 HydrophobicContact CB-CG1 3.99Å; P73-I78 HydrophobicContact CG-CD1 4.15Å; P73-I78 HydrophobicContact CG-CG1 3.93Å; S74-I78 VanDerWaalsContact O-CG1 3.29Å; S74-I78 WeakPolarHBondContact O-CG1 3.36Å; S74-I78 PolarHBondContact O-N 3.35Å; E76-I78 VanDerWaalsContact C-N 3.3Å; E76-I78 PolarHBondContact O-N 2.79Å; I78-T80 PolarHBondContact O-N 3.11Å; I78-Q81 PolarHBondContact O-N 2.91Å
79	A	97.6	Very high	96	Very high	83 Å²	83	93.8 Å²	93.8	69%	0.686	53%	0.53	S	S	*	.	H	α-helix	trans	-66.1	-37	-177.8	0	0	0	0	0	112.7	V75 E76	V75-A79 VanDerWaalsContact O-CB 3.32Å; V75-A79 WeakPolarHBondContact O-CB 3.4Å; V75-A79 PolarHBondContact O-N 2.94Å; E76-A79 PolarHBondContact O-N 3.22Å
80	T	97.7	Very high	96	Very high	70 Å²	70	99 Å²	99	43%	0.429	56%	0.555	S	S	.	*	H	α-helix	trans	-87.6	-14.3	179.5	60.4	0	0	0	0	113.3	E76 E77 I78 T82	E76-T80 HydrophobicContact CG-CG2 4.4Å; E76-T80 WeakPolarHBondContact O-CB 3.4Å; E76-T80 WeakPolarHBondContact O-CG2 3.43Å; E76-T80 PolarHBondContact O-N 2.94Å; E76-T80 PolarHBondContact O-OG1 3.48Å; E77-T80 PolarHBondContact O-OG1 2.85Å; I78-T80 PolarHBondContact O-N 3.11Å; T80-T82 WeakPolarHBondContact CB-OG1 3.4Å; T80-T82 PolarHBondContact O-N 3.46Å; T80-T82 PolarHBondContact OG1-N 2.96Å; T80-T82 PolarHBondContact OG1-O 2.77Å; T80-T82 PolarHBondContact OG1-OG1 3.43Å; T80-T82 VanDerWaalsContact OG1-OG1 3.05Å
81	Q	95.9	Very high	96	Very high	185 Å²	185	98.5 Å²	98.5	86%	0.864	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	55.3	28	-169.8	-55.9	-171.8	-26.4	0	0	113.1	E77 I78	E77-Q81 WeakPolarHBondContact O-CA 3.29Å; E77-Q81 PolarHBondContact O-N 2.85Å; I78-Q81 PolarHBondContact O-N 2.91Å
82	T	94.8	Very high	95.8	Very high	96 Å²	96	103.9 Å²	103.9	59%	0.589	57%	0.571	S	S	*	*			trans	-139.4	156.4	-179.9	65.7	0	0	0	0	110.2	E77 T80	E77-T82 VanDerWaalsContact CA-O 3.23Å; E77-T82 WeakPolarHBondContact CA-O 3.34Å; E77-T82 WeakPolarHBondContact CB-O 3.32Å; E77-T82 PolarHBondContact O-N 2.96Å; T80-T82 WeakPolarHBondContact CB-OG1 3.4Å; T80-T82 PolarHBondContact O-N 3.46Å; T80-T82 PolarHBondContact OG1-N 2.96Å; T80-T82 PolarHBondContact OG1-O 2.77Å; T80-T82 PolarHBondContact OG1-OG1 3.43Å; T80-T82 VanDerWaalsContact OG1-OG1 3.05Å
83	G	94.6	Very high	95.4	Very high	43 Å²	43	104.9 Å²	104.9	44%	0.443	58%	0.575	S	S	.	*			trans	176	175.6	179.6	0	0	0	0	0	112
84	Y	94.7	Very high	94.4	Very high	218 Å²	218	113 Å²	113	86%	0.855	60%	0.596	S	S	*	*			trans	-132.2	148.4	178.4	-64.4	-84.7	0	0	0	110.3
85	R	94.9	Very high	93.1	Very high	92 Å²	92	116.8 Å²	116.8	35%	0.347	61%	0.611	S	S	.	*			trans	-124.4	138.8	173.6	-68	-63.8	-178.5	-113.6	-1.2	109.6	L68 S69 T71 E77	L68-R85 HydrophobicContact CD1-CB 3.96Å; S69-R85 WeakPolarHBondContact O-CB 3.39Å; S69-R85 VanDerWaalsContact O-CD 3.27Å; S69-R85 WeakPolarHBondContact O-CD 3.48Å; S69-R85 VanDerWaalsContact O-CG 3.27Å; S69-R85 WeakPolarHBondContact O-CG 3.45Å; T71-R85 PolarHBondContact O-NE 2.81Å; T71-R85 VanDerWaalsContact O-NE 3.16Å; T71-R85 PolarHBondContact O-NH2 2.79Å; E77-R85 VanDerWaalsContact CD-NH1 3.34Å; E77-R85 IonicContact OE1-CZ 3.79Å; E77-R85 IonicContact OE1-NH1 2.85Å; E77-R85 PolarHBondContact OE1-NH1 2.87Å; E77-R85 IonicContact OE2-CZ 3.53Å; E77-R85 IonicContact OE2-NH1 3Å; E77-R85 PolarHBondContact OE2-NH1 2.86Å; E77-R85 IonicContact OE2-NH2 3.12Å; E77-R85 PolarHBondContact OE2-NH2 2.85Å; E77-R85 VanDerWaalsContact OE2-NH2 3.12Å
86	E	95.2	Very high	91.2	Very high	166 Å²	166	115.6 Å²	115.6	78%	0.776	61%	0.608	S	S	*	*			trans	-70.9	137.6	172.4	-64.7	-171.7	163.4	0	0	109.8	S69	S69-E86 PolarHBondContact N-O 3.01Å
87	G	96.6	Very high	89.2	Confident	48 Å²	48	118.9 Å²	118.9	50%	0.495	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-149.4	154.4	174.6	0	0	0	0	0	110.7	T67	T67-G87 CarbonylContact O-C 3.43Å; T67-G87 WeakPolarHBondContact O-CA 3.42Å
88	T	97.4	Very high	86.9	Confident	72 Å²	72	128.2 Å²	128.2	44%	0.442	65%	0.649	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.1	149.1	175.4	73.4	0	0	0	0	110.1	T66 T67	T66-T88 CarbonylContact C-O 3.54Å; T66-T88 WeakPolarHBondContact CA-O 3.44Å; T67-T88 PolarHBondContact N-O 2.86Å; T67-T88 PolarHBondContact O-N 3.25Å; T67-T88 PolarHBondContact OG1-OG1 3.23Å
89	V	97.1	Very high	85.1	Confident	95 Å²	95	131.7 Å²	131.7	58%	0.576	68%	0.684	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-126.6	117.8	172.5	-179.2	0	0	0	0	107.7	T66	T66-V89 HydrophobicContact CG2-CG2 4.09Å
90	L	96.3	Very high	84.5	Confident	124 Å²	124	134.2 Å²	134.2	65%	0.649	68%	0.683	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-116.3	105.5	177.3	-69.6	171.2	0	0	0	108.5	C64 T65	C64-L90 CarbonylContact C-O 3.57Å; C64-L90 VanDerWaalsContact CA-O 3.31Å; C64-L90 WeakPolarHBondContact CA-O 3.4Å; T65-L90 PolarHBondContact N-O 2.89Å; T65-L90 PolarHBondContact O-N 3.09Å
91	C	95.2	Very high	83.8	Confident	72 Å²	72	137.5 Å²	137.5	49%	0.486	70%	0.697	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.8	138.6	179.1	-67.2	0	0	0	0	111.4	H63 C64	H63-C91 CarbonylContact O-C 3.55Å; H63-C91 WeakPolarHBondContact O-CA 3.47Å; C64-C91 HydrophobicContact CB-CB 4.12Å; C64-C91 WeakPolarHBondContact CB-SG 3.37Å; C64-C91 WeakPolarHBondContact SG-CB 3.48Å; C64-C91 CovalentContact SG-SG 2.05Å; C64-C91 PolarHBondContact SG-SG 2.9Å
92	R	89.6	Confident	83.1	Confident	181 Å²	181	134.9 Å²	134.9	68%	0.683	69%	0.687	S	S	*	*			trans	-65.7	137.3	166.3	-65.9	-179.9	-178.5	170.2	-2.6	108.9	H63 R94	H63-R92 PolarHBondContact O-N 2.53Å; R92-R94 PolarHBondContact O-N 2.86Å
93	P	84	Confident	82.5	Confident	109 Å²	109	137.2 Å²	137.2	71%	0.708	69%	0.693	S	S	*	*			trans	-59.5	140.5	171.5	23.4	-30.1	0	0	0	109.4	I95	P93-I95 PolarHBondContact O-N 3.5Å
94	R	75.6	Confident	81.7	Confident	243 Å²	243	143.1 Å²	143.1	92%	0.917	71%	0.709	S	S	*	*			trans	-66.6	102.1	166.9	-69.2	-173.3	-178.9	-178.2	1	106.6	R92 S96	R92-R94 PolarHBondContact O-N 2.86Å; R94-S96 VanDerWaalsContact C-N 3.26Å; R94-S96 PolarHBondContact O-N 2.82Å
95	I	67.5	Low	80.8	Confident	135 Å²	135	138.1 Å²	138.1	69%	0.692	70%	0.699	S	S	*	*			trans	-68	96.6	166.4	-54.9	175.7	0	0	0	105.2	P93 Y97	P93-I95 PolarHBondContact O-N 3.5Å; I95-Y97 PolarHBondContact O-N 3.03Å; I95-Y97 VanDerWaalsContact O-N 3.09Å
96	S	58.9	Low	79.8	Confident	103 Å²	103	141.4 Å²	141.4	72%	0.72	72%	0.724	S	S	*	*			trans	-67.2	105.4	164.5	60.4	0	0	0	0	106.1	R94 R98	R94-S96 VanDerWaalsContact C-N 3.26Å; R94-S96 PolarHBondContact O-N 2.82Å; S96-R98 VanDerWaalsContact C-N 3.3Å; S96-R98 PolarHBondContact O-N 3.28Å
97	Y	54.3	Low	78.6	Confident	215 Å²	215	139.5 Å²	139.5	84%	0.843	72%	0.72	S	S	*	*			trans	-58.8	103.7	160	-83.3	-90.4	0	0	0	106.3	I95 S99	I95-Y97 PolarHBondContact O-N 3.03Å; I95-Y97 VanDerWaalsContact O-N 3.09Å; Y97-S99 PolarHBondContact O-N 3.48Å
98	R	50.5	Low	77.1	Confident	235 Å²	235	147.1 Å²	147.1	89%	0.887	74%	0.739	S	S	*	*			trans	-74.2	105	158.2	-155.5	175.2	-168.4	178.5	2.6	103.7	S96	S96-R98 VanDerWaalsContact C-N 3.3Å; S96-R98 PolarHBondContact O-N 3.28Å
99	S	59.2	Low	75.3	Confident	181 Å²	181	153.9 Å²	153.9	100%	1.266	77%	0.766	S	S	*	*			trans	-36.7	0	171.5	51.2	0	0	0	0	113.1	Y97	Y97-S99 PolarHBondContact O-N 3.48Å

Retrieved 99 of 99 residues in 65.3 ms (Link to these results)

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