X5J561_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J561, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 91 aa.

						>X5J561_MOUSE|X5J561
GGLVQPGGSRKLSCAASGFTFSRFGMHWVRQAPEKGLEWVAYISSGSSTIYYADTVKGRFTISRDNPKNTLFLQMTSLRSEDTAMYYCARE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	G	51.1	Low	76.2	Confident	118 Å²	118	94.3 Å²	94.3	100%	1.216	61%	0.608	S	S	*	*				0	130.4	0	0	0	0	0	0	108.6
2	G	63.3	Low	78	Confident	48 Å²	48	88.5 Å²	88.5	50%	0.495	57%	0.568	S	S	.	*			trans	-80.2	151.9	-173.7	0	0	0	0	0	113.8	R10	G2-R10 PolarHBondContact O-NH1 3.04Å
3	L	64	Low	79.5	Confident	187 Å²	187	88.3 Å²	88.3	98%	0.979	57%	0.571	S	S	*	*			trans	-70.5	138	166.3	-79.1	140.6	0	0	0	109.3
4	V	67.8	Low	80.8	Confident	61 Å²	61	83.3 Å²	83.3	37%	0.37	54%	0.539	S	S	.	.			trans	-122.7	136.7	174.7	179.4	0	0	0	0	107.8	R10 L78	V4-R10 HydrophobicContact CG2-CB 4.23Å; V4-R10 HydrophobicContact CG2-CG 4.3Å; V4-L78 HydrophobicContact CB-CD1 4.29Å; V4-L78 HydrophobicContact CG1-CD1 3.96Å
5	Q	73.1	Confident	81.9	Confident	163 Å²	163	83.3 Å²	83.3	76%	0.762	55%	0.549	S	S	*	.			trans	-65.9	148.7	178.3	-68.2	-175.8	-2	0	0	111.1	G8	Q5-G8 WeakPolarHBondContact O-CA 3.41Å; Q5-G8 PolarHBondContact O-N 3Å
6	P	72.3	Confident	82.8	Confident	109 Å²	109	79.1 Å²	79.1	71%	0.708	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	141.5	169.1	-24.7	34.2	0	0	0	111.5	G8	P6-G8 PolarHBondContact O-N 3.03Å
7	G	78.1	Confident	83.6	Confident	58 Å²	58	80.7 Å²	80.7	60%	0.598	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	-11.5	-172.5	0	0	0	0	0	114.5	L78	G7-L78 PolarHBondContact N-O 3.48Å
8	G	87.8	Confident	84.2	Confident	23 Å²	23	81.1 Å²	81.1	24%	0.237	56%	0.557	C	S	.	*			trans	-69.5	175	176.8	0	0	0	0	0	113.9	Q5 P6 S77 L78	Q5-G8 WeakPolarHBondContact O-CA 3.41Å; Q5-G8 PolarHBondContact O-N 3Å; P6-G8 PolarHBondContact O-N 3.03Å; G8-S77 PolarHBondContact O-N 2.6Å; G8-L78 PolarHBondContact O-N 3.31Å; G8-L78 VanDerWaalsContact O-N 3.14Å
9	S	92.2	Very high	84.8	Confident	75 Å²	75	79.8 Å²	79.8	52%	0.524	54%	0.54	S	S	.	.			trans	-122.1	151.8	172.2	70.1	0	0	0	0	110.7	M75	S9-M75 CarbonylContact C-O 3.53Å; S9-M75 WeakPolarHBondContact CA-O 3.37Å; S9-M75 WeakPolarHBondContact CB-O 3.15Å
10	R	92.8	Very high	85.3	Confident	80 Å²	80	79.5 Å²	79.5	30%	0.302	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	141.5	176.9	-171.7	176.7	-177.3	175.2	-0.4	110.7	G2 V4 L12 M75 L78	G2-R10 PolarHBondContact O-NH1 3.04Å; V4-R10 HydrophobicContact CG2-CB 4.23Å; V4-R10 HydrophobicContact CG2-CG 4.3Å; R10-L12 HydrophobicContact CG-CD2 4.24Å; R10-M75 HydrophobicContact CB-CE 3.77Å; R10-M75 HydrophobicContact CG-CE 4.13Å; R10-M75 PolarHBondContact N-O 2.93Å; R10-M75 WeakPolarHBondContact O-CB 3.4Å; R10-M75 PolarHBondContact O-N 2.99Å; R10-L78 HydrophobicContact CB-CD1 4.06Å
11	K	96.3	Very high	85.9	Confident	115 Å²	115	75.7 Å²	75.7	50%	0.5	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.9	169	-164.2	172.2	180	177	0	110	F72 L73	K11-F72 HydrophobicContact CD-CD1 4.47Å; K11-F72 VanDerWaalsContact CE-CD1 3.49Å; K11-L73 CarbonylContact C-O 3.57Å; K11-L73 WeakPolarHBondContact CA-O 3.49Å
12	L	97.3	Very high	88	Confident	25 Å²	25	72.5 Å²	72.5	13%	0.131	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	149.6	167.8	-53.8	-176.6	0	0	0	109.5	R10 W28 F72 L73 M75 Y86	R10-L12 HydrophobicContact CG-CD2 4.24Å; L12-W28 HydrophobicContact CB-CH2 3.85Å; L12-W28 HydrophobicContact CB-CZ2 4.12Å; L12-W28 HydrophobicContact CB-CZ3 4.48Å; L12-W28 HydrophobicContact CD1-CH2 4.46Å; L12-W28 HydrophobicContact CD1-CZ3 4.28Å; L12-F72 VanDerWaalsContact O-CA 3.23Å; L12-F72 WeakPolarHBondContact O-CA 3.24Å; L12-L73 HydrophobicContact CB-CB 4.28Å; L12-L73 HydrophobicContact CD1-CD2 4.45Å; L12-L73 PolarHBondContact N-O 2.84Å; L12-L73 PolarHBondContact O-N 3.06Å; L12-M75 HydrophobicContact CD1-CE 3.83Å; L12-M75 HydrophobicContact CD1-SD 3.87Å; L12-M75 HydrophobicContact CD2-CE 3.89Å; L12-M75 HydrophobicContact CG-CE 3.64Å; L12-M75 HydrophobicContact CG-SD 4.18Å; L12-Y86 HydrophobicContact CD1-CD1 4.02Å; L12-Y86 HydrophobicContact CD1-CD2 4.04Å; L12-Y86 HydrophobicContact CD1-CG 3.62Å
13	S	97.9	Very high	89.6	Confident	86 Å²	86	79.5 Å²	79.5	60%	0.601	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.4	172.9	60.2	0	0	0	0	110.5	L71	S13-L71 CarbonylContact C-O 3.51Å; S13-L71 VanDerWaalsContact CA-O 3.31Å; S13-L71 WeakPolarHBondContact CA-O 3.3Å
14	C	97.8	Very high	91.2	Very high	18 Å²	18	73.9 Å²	73.9	12%	0.122	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	114.6	172.6	161.3	0	0	0	0	109.1	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.93Å; C14-W28 HydrophobicContact CB-CZ2 4.06Å; C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.11Å; C14-L71 HydrophobicContact CB-CB 4.37Å; C14-L71 PolarHBondContact N-O 2.96Å; C14-L71 PolarHBondContact O-N 2.94Å; C14-C88 HydrophobicContact CB-CB 3.49Å; C14-C88 VanDerWaalsContact CB-CB 3.49Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.24Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.02Å
15	A	97.6	Very high	92.7	Very high	83 Å²	83	71.1 Å²	71.1	69%	0.686	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.8	173.3	0	0	0	0	0	109.2
16	A	95.9	Very high	93.9	Very high	17 Å²	17	63.6 Å²	63.6	14%	0.14	40%	0.398	C	S	.	.			trans	-98	143.2	179.8	0	0	0	0	0	111.3	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.82Å; A16-F19 HydrophobicContact CB-CE2 4.43Å; A16-F19 HydrophobicContact CB-CZ 3.58Å; A16-F21 HydrophobicContact CB-CB 4.5Å; A16-F21 HydrophobicContact CB-CD2 3.57Å; A16-F21 HydrophobicContact CB-CE2 4.21Å; A16-F21 HydrophobicContact CB-CG 4.4Å; A16-N69 PolarHBondContact N-O 2.84Å
17	S	95.8	Very high	95.1	Very high	106 Å²	106	60.4 Å²	60.4	74%	0.741	37%	0.373	S	S	*	.			trans	-141.7	162.3	173.6	62.1	0	0	0	0	110	F19	S17-F19 WeakPolarHBondContact O-CD1 3.5Å; S17-F19 PolarHBondContact O-N 3.12Å
18	G	95.6	Very high	96.1	Very high	88 Å²	88	58 Å²	58	91%	0.907	35%	0.346	S	S	*	.	S	Bend	trans	82.4	3.9	178.1	0	0	0	0	0	115.8
19	F	94	Very high	96.6	Very high	56 Å²	56	58.1 Å²	58.1	25%	0.246	34%	0.342	C	S	.	.	S	Bend	trans	-156.6	164.7	173.2	63.8	-82.8	0	0	0	111.9	A16 S17 F21 F24 M26 R90	A16-F19 HydrophobicContact CB-CE1 3.82Å; A16-F19 HydrophobicContact CB-CE2 4.43Å; A16-F19 HydrophobicContact CB-CZ 3.58Å; S17-F19 WeakPolarHBondContact O-CD1 3.5Å; S17-F19 PolarHBondContact O-N 3.12Å; F19-F21 HydrophobicContact CE2-CB 4.25Å; F19-F21 HydrophobicContact CE2-CD2 4.21Å; F19-F21 HydrophobicContact CZ-CD2 4.34Å; F19-F21 PolarHBondContact O-N 3.26Å; F19-F24 HydrophobicContact CB-CE2 4.48Å; F19-F24 AromaticContact CD2-CD2 3.73Å; F19-F24 HydrophobicContact CD2-CD2 3.73Å; F19-F24 HydrophobicContact CD2-CE2 4.09Å; F19-F24 HydrophobicContact CE2-CD2 4.28Å; F19-M26 HydrophobicContact CE2-SD 4.19Å; F19-M26 HydrophobicContact CZ-CE 4.27Å; F19-M26 HydrophobicContact CZ-SD 4.3Å; F19-R90 HydrophobicContact CD2-CG 4.24Å; F19-R90 HydrophobicContact CE2-CB 4.3Å; F19-R90 HydrophobicContact CE2-CG 3.72Å; F19-R90 HydrophobicContact CZ-CB 4.14Å; F19-R90 HydrophobicContact CZ-CG 4.07Å
20	T	96	Very high	96.8	Very high	73 Å²	73	55.1 Å²	55.1	45%	0.448	32%	0.319	S	S	.	.			trans	-76.6	86.3	175.3	-48.3	0	0	0	0	110.7	S22 R23 F24	T20-S22 PolarHBondContact O-N 3.39Å; T20-S22 VanDerWaalsContact O-N 3.08Å; T20-R23 HydrophobicContact CG2-CB 4.45Å; T20-R23 HydrophobicContact CG2-CG 3.8Å; T20-R23 PolarHBondContact O-N 2.79Å; T20-F24 WeakPolarHBondContact O-CD2 3.3Å
21	F	96.9	Very high	97	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-48.2	-39.1	-175.9	178.3	-95.4	0	0	0	114.4	A16 F19 R23 F24 M26 R64 N69 L71	A16-F21 HydrophobicContact CB-CB 4.5Å; A16-F21 HydrophobicContact CB-CD2 3.57Å; A16-F21 HydrophobicContact CB-CE2 4.21Å; A16-F21 HydrophobicContact CB-CG 4.4Å; F19-F21 HydrophobicContact CE2-CB 4.25Å; F19-F21 HydrophobicContact CE2-CD2 4.21Å; F19-F21 HydrophobicContact CZ-CD2 4.34Å; F19-F21 PolarHBondContact O-N 3.26Å; F21-R23 PolarHBondContact O-N 2.89Å; F21-R23 VanDerWaalsContact O-N 3.15Å; F21-F24 PolarHBondContact O-N 2.81Å; F21-M26 HydrophobicContact CD2-CE 4.24Å; F21-M26 HydrophobicContact CD2-CG 4.25Å; F21-M26 HydrophobicContact CD2-SD 3.88Å; F21-M26 HydrophobicContact CE2-CE 3.85Å; F21-M26 HydrophobicContact CE2-CG 3.59Å; F21-M26 HydrophobicContact CE2-SD 3.71Å; F21-M26 HydrophobicContact CZ-CG 3.94Å; F21-R64 HydrophobicContact CE1-CB 4.06Å; F21-R64 HydrophobicContact CZ-CB 4.02Å; F21-R64 PolarHBondContact O-NH2 2.82Å; F21-N69 HydrophobicContact CB-CB 3.92Å; F21-N69 WeakPolarHBondContact CB-OD1 3Å; F21-N69 HydrophobicContact CG-CB 4.19Å; F21-L71 HydrophobicContact CE2-CB 4.29Å; F21-L71 HydrophobicContact CZ-CB 4.2Å
22	S	96.7	Very high	96.8	Very high	52 Å²	52	50.6 Å²	50.6	36%	0.364	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-64.4	-17.2	-179	59.9	0	0	0	0	114.3	T20 S45	T20-S22 PolarHBondContact O-N 3.39Å; T20-S22 VanDerWaalsContact O-N 3.08Å; S22-S45 WeakPolarHBondContact O-CB 3.13Å
23	R	96.6	Very high	96.4	Very high	194 Å²	194	55.8 Å²	55.8	73%	0.732	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-90	-12.1	-178.9	-70.2	-174.2	176	-170.4	-0.8	114.6	T20 F21	T20-R23 HydrophobicContact CG2-CB 4.45Å; T20-R23 HydrophobicContact CG2-CG 3.8Å; T20-R23 PolarHBondContact O-N 2.79Å; F21-R23 PolarHBondContact O-N 2.89Å; F21-R23 VanDerWaalsContact O-N 3.15Å
24	F	97.6	Very high	96	Very high	69 Å²	69	60.9 Å²	60.9	30%	0.303	36%	0.356	S	S	.	.	S	Bend	trans	-116.1	148	-172.6	-63.6	-90.8	0	0	0	112.3	F19 T20 F21 R64 R90	F19-F24 HydrophobicContact CB-CE2 4.48Å; F19-F24 AromaticContact CD2-CD2 3.73Å; F19-F24 HydrophobicContact CD2-CD2 3.73Å; F19-F24 HydrophobicContact CD2-CE2 4.09Å; F19-F24 HydrophobicContact CE2-CD2 4.28Å; T20-F24 WeakPolarHBondContact O-CD2 3.3Å; F21-F24 PolarHBondContact O-N 2.81Å; F24-R64 PolarHBondContact O-NH2 3.25Å; F24-R90 HydrophobicContact CB-CG 3.45Å; F24-R90 VanDerWaalsContact CB-CG 3.45Å; F24-R90 HydrophobicContact CD1-CG 3.87Å; F24-R90 HydrophobicContact CD2-CG 4.3Å; F24-R90 VanDerWaalsContact CG-CD 3.44Å; F24-R90 HydrophobicContact CG-CG 3.63Å
25	G	98	Very high	95.6	Very high	4 Å²	4	65.5 Å²	65.5	4%	0.041	37%	0.374	C	S	.	.			trans	-66.8	151.6	160.3	0	0	0	0	0	110.3	I43 E91	G25-I43 WeakPolarHBondContact CA-O 3.38Å; G25-E91 PolarHBondContact O-N 2.74Å
26	M	98.4	Very high	95.3	Very high	4 Å²	4	64 Å²	64	2%	0.02	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.1	-176.2	-60.5	-60.3	-54.8	0	0	110.5	F19 F21 Y42 I43 L71 R90	F19-M26 HydrophobicContact CE2-SD 4.19Å; F19-M26 HydrophobicContact CZ-CE 4.27Å; F19-M26 HydrophobicContact CZ-SD 4.3Å; F21-M26 HydrophobicContact CD2-CE 4.24Å; F21-M26 HydrophobicContact CD2-CG 4.25Å; F21-M26 HydrophobicContact CD2-SD 3.88Å; F21-M26 HydrophobicContact CE2-CE 3.85Å; F21-M26 HydrophobicContact CE2-CG 3.59Å; F21-M26 HydrophobicContact CE2-SD 3.71Å; F21-M26 HydrophobicContact CZ-CG 3.94Å; M26-Y42 WeakPolarHBondContact O-CA 3.38Å; M26-Y42 WeakPolarHBondContact O-CD2 3.45Å; M26-I43 HydrophobicContact CB-CG2 4.14Å; M26-I43 PolarHBondContact N-O 2.85Å; M26-I43 PolarHBondContact O-N 3.34Å; M26-L71 HydrophobicContact CB-CD1 3.69Å; M26-L71 HydrophobicContact CB-CD2 3.87Å; M26-L71 HydrophobicContact CB-CG 4.34Å; M26-L71 HydrophobicContact CG-CD1 4.31Å; M26-R90 HydrophobicContact CE-CB 4.34Å; M26-R90 HydrophobicContact SD-CB 4.21Å; M26-R90 HydrophobicContact SD-CG 4.06Å
27	H	98.5	Very high	95.3	Very high	43 Å²	43	68.9 Å²	68.9	20%	0.199	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	148.6	-178.9	-56.6	-106.3	0	0	0	110.6	V29 W39 A41 Y42 C88 A89	H27-V29 HydrophobicContact CB-CG2 4.46Å; H27-W39 AromaticContact ND1-CD1 3.79Å; H27-W39 AromaticContact ND1-NE1 3.34Å; H27-W39 PolarHBondContact ND1-NE1 2.88Å; H27-A41 CarbonylContact C-O 3.48Å; H27-A41 VanDerWaalsContact CA-O 3.29Å; H27-A41 WeakPolarHBondContact CA-O 3.49Å; H27-Y42 AromaticContact CD2-CD2 3.88Å; H27-Y42 AromaticContact CE1-CD2 3.27Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.42Å; H27-Y42 AromaticContact CE1-CE2 3.79Å; H27-Y42 AromaticContact CG-CD2 3.99Å; H27-Y42 AromaticContact ND1-CD2 3.64Å; H27-Y42 AromaticContact NE2-CD2 3.41Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.4Å; H27-Y42 AromaticContact NE2-CE2 3.57Å; H27-C88 CarbonylContact O-C 3.49Å; H27-C88 VanDerWaalsContact O-CA 3.3Å; H27-C88 WeakPolarHBondContact O-CA 3.38Å; H27-A89 HydrophobicContact CB-CB 4.37Å; H27-A89 PolarHBondContact N-O 3.08Å; H27-A89 PolarHBondContact O-N 2.79Å
28	W	98.6	Very high	95.3	Very high	8 Å²	8	66.5 Å²	66.5	3%	0.03	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.5	154.7	-80.1	100.2	0	0	0	109.2	L12 C14 V40 A41 L71 F72 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.85Å; L12-W28 HydrophobicContact CB-CZ2 4.12Å; L12-W28 HydrophobicContact CB-CZ3 4.48Å; L12-W28 HydrophobicContact CD1-CH2 4.46Å; L12-W28 HydrophobicContact CD1-CZ3 4.28Å; C14-W28 HydrophobicContact CB-CH2 3.93Å; C14-W28 HydrophobicContact CB-CZ2 4.06Å; W28-V40 HydrophobicContact CB-CB 4.08Å; W28-V40 HydrophobicContact CB-CG1 4.45Å; W28-V40 WeakPolarHBondContact O-CB 3.45Å; W28-V40 PolarHBondContact O-N 3.05Å; W28-A41 PolarHBondContact N-O 3.02Å; W28-A41 PolarHBondContact O-N 2.94Å; W28-L71 HydrophobicContact CD2-CD2 4.37Å; W28-L71 HydrophobicContact CG-CD2 4.3Å; W28-L71 HydrophobicContact CZ2-CD2 4.39Å; W28-L71 VanDerWaalsContact NE1-CD2 3.3Å; W28-F72 PolarHBondContact NE1-O 3.1Å; W28-L73 HydrophobicContact CB-CD2 4.31Å; W28-L73 HydrophobicContact CD2-CB 4.11Å; W28-L73 HydrophobicContact CD2-CD2 4.18Å; W28-L73 HydrophobicContact CG-CB 4.22Å; W28-L73 HydrophobicContact CG-CD1 4.38Å; W28-L73 HydrophobicContact CG-CD2 4.02Å; W28-L73 HydrophobicContact CG-CG 4.45Å; W28-L73 HydrophobicContact CZ2-CB 4.16Å; W28-Y87 WeakPolarHBondContact CA-O 3.39Å; W28-C88 HydrophobicContact CZ3-CB 4.46Å
29	V	98.1	Very high	95.4	Very high	25 Å²	25	67.1 Å²	67.1	15%	0.152	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	147.2	176.1	-171.8	0	0	0	0	107.2	H27 L37 E38 Y87	H27-V29 HydrophobicContact CB-CG2 4.46Å; V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.72Å; V29-L37 HydrophobicContact CG1-CG 4.29Å; V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.41Å; V29-E38 VanDerWaalsContact CG1-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.3Å; V29-Y87 PolarHBondContact N-O 3.17Å; V29-Y87 PolarHBondContact O-N 3.44Å
30	R	96.9	Very high	95.6	Very high	11 Å²	11	64.5 Å²	64.5	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	155.5	176	73.1	-178.4	-174.9	-177.4	4.6	112.1	L37 E38 V40 D82 A84 M85 Y86	R30-L37 WeakPolarHBondContact O-CA 3.45Å; R30-E38 HydrophobicContact CG-CB 4.03Å; R30-E38 IonicContact CZ-OE2 3.04Å; R30-E38 PolarHBondContact N-O 2.95Å; R30-E38 IonicContact NE-OE2 3.44Å; R30-E38 PolarHBondContact NE-OE2 2.8Å; R30-E38 IonicContact NH2-OE2 3.06Å; R30-E38 PolarHBondContact NH2-OE2 3.38Å; R30-E38 PolarHBondContact O-N 2.87Å; R30-V40 HydrophobicContact CB-CG2 3.87Å; R30-V40 HydrophobicContact CG-CG2 3.64Å; R30-D82 IonicContact NH1-OD1 2.93Å; R30-D82 PolarHBondContact NH1-OD1 3.06Å; R30-A84 HydrophobicContact CB-CB 3.89Å; R30-A84 HydrophobicContact CG-CB 4.18Å; R30-M85 CarbonylContact C-O 3.59Å; R30-M85 WeakPolarHBondContact CA-O 3.49Å; R30-M85 WeakPolarHBondContact CB-O 3.35Å; R30-Y86 HydrophobicContact CB-CD1 3.81Å; R30-Y86 HydrophobicContact CB-CE1 3.77Å; R30-Y86 HydrophobicContact CB-CE2 4.46Å; R30-Y86 HydrophobicContact CB-CG 4.18Å; R30-Y86 HydrophobicContact CG-CE1 4.43Å
31	Q	96.3	Very high	95.7	Very high	81 Å²	81	61 Å²	61	38%	0.379	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	114.8	175.3	-166.9	176.7	16.6	0	0	109.5	K35 L37 A84 M85 Y87	Q31-K35 WeakPolarHBondContact CG-O 3.39Å; Q31-L37 HydrophobicContact CB-CD2 4.05Å; Q31-A84 WeakPolarHBondContact O-CB 3.35Å; Q31-M85 PolarHBondContact N-O 3.27Å; Q31-M85 PolarHBondContact O-N 3.02Å; Q31-Y87 HydrophobicContact CB-CE2 3.95Å
32	A	93.6	Very high	95.8	Very high	20 Å²	20	62.6 Å²	62.6	17%	0.165	32%	0.316	C	S	.	.			trans	-83.4	154.9	170.1	0	0	0	0	0	109.8	E34 K35 A84	A32-E34 PolarHBondContact O-N 3.01Å; A32-K35 HydrophobicContact CB-CB 4.13Å; A32-K35 HydrophobicContact CB-CD 4.27Å; A32-K35 HydrophobicContact CB-CG 4.25Å; A32-K35 PolarHBondContact O-N 3.27Å; A32-K35 VanDerWaalsContact O-O 3.13Å; A32-A84 HydrophobicContact CB-CB 4.4Å
33	P	88.7	Confident	95.9	Very high	133 Å²	133	60.2 Å²	60.2	86%	0.864	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-31.3	-173.8	-29.1	35.8	0	0	0	115.6
34	E	89.3	Confident	96	Very high	194 Å²	194	51.5 Å²	51.5	91%	0.907	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	9.1	-177.7	-60.3	-177.4	171.3	0	0	113.2	A32	A32-E34 PolarHBondContact O-N 3.01Å
35	K	88.2	Confident	95.9	Very high	114 Å²	114	50.6 Å²	50.6	50%	0.496	27%	0.27	S	S	.	.	S	Bend	trans	-126.2	156.7	-174.6	-63.5	-170.9	171.2	-173.8	0	112.3	Q31 A32 E38	Q31-K35 WeakPolarHBondContact CG-O 3.39Å; A32-K35 HydrophobicContact CB-CB 4.13Å; A32-K35 HydrophobicContact CB-CD 4.27Å; A32-K35 HydrophobicContact CB-CG 4.25Å; A32-K35 PolarHBondContact O-N 3.27Å; A32-K35 VanDerWaalsContact O-O 3.13Å; K35-E38 VanDerWaalsContact CD-OE1 3.24Å; K35-E38 WeakPolarHBondContact CD-OE1 3.27Å; K35-E38 IonicContact NZ-OE1 3.05Å; K35-E38 PolarHBondContact NZ-OE1 2.98Å
36	G	91.9	Very high	95.8	Very high	52 Å²	52	53 Å²	53	54%	0.536	30%	0.295	S	S	.	.			trans	-67.9	-176.1	166.9	0	0	0	0	0	112.6	E38	G36-E38 PolarHBondContact O-N 2.67Å
37	L	94.9	Very high	95.7	Very high	120 Å²	120	55.3 Å²	55.3	63%	0.628	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	124.3	173	-72.1	167.3	0	0	0	110.3	V29 R30 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.72Å; V29-L37 HydrophobicContact CG1-CG 4.29Å; R30-L37 WeakPolarHBondContact O-CA 3.45Å; Q31-L37 HydrophobicContact CB-CD2 4.05Å; L37-Y87 HydrophobicContact CD2-CD2 4.27Å; L37-Y87 HydrophobicContact CD2-CE2 4.48Å
38	E	96.5	Very high	95.7	Very high	55 Å²	55	58.2 Å²	58.2	26%	0.257	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.5	174.7	-65.3	-178.2	160	0	0	109.2	V29 R30 K35 G36	V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.41Å; V29-E38 VanDerWaalsContact CG1-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.3Å; R30-E38 HydrophobicContact CG-CB 4.03Å; R30-E38 IonicContact CZ-OE2 3.04Å; R30-E38 PolarHBondContact N-O 2.95Å; R30-E38 IonicContact NE-OE2 3.44Å; R30-E38 PolarHBondContact NE-OE2 2.8Å; R30-E38 IonicContact NH2-OE2 3.06Å; R30-E38 PolarHBondContact NH2-OE2 3.38Å; R30-E38 PolarHBondContact O-N 2.87Å; K35-E38 VanDerWaalsContact CD-OE1 3.24Å; K35-E38 WeakPolarHBondContact CD-OE1 3.27Å; K35-E38 IonicContact NZ-OE1 3.05Å; K35-E38 PolarHBondContact NZ-OE1 2.98Å; G36-E38 PolarHBondContact O-N 2.67Å
39	W	97.8	Very high	95.6	Very high	102 Å²	102	60.3 Å²	60.3	39%	0.386	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	139.7	173	176.7	81.7	0	0	0	110.9	H27 A41 Y52 A53	H27-W39 AromaticContact ND1-CD1 3.79Å; H27-W39 AromaticContact ND1-NE1 3.34Å; H27-W39 PolarHBondContact ND1-NE1 2.88Å; W39-A41 VanDerWaalsContact CZ2-C 3.41Å; W39-A41 PolarHBondContact NE1-O 2.97Å; W39-Y52 VanDerWaalsContact CZ3-C 3.43Å; W39-A53 HydrophobicContact CE3-CB 3.91Å; W39-A53 HydrophobicContact CZ3-CB 3.92Å; W39-A53 WeakPolarHBondContact O-CB 3.32Å
40	V	98.1	Very high	95.7	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.006	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-52.8	-173.4	178.7	0	0	0	0	112	W28 R30 A53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.08Å; W28-V40 HydrophobicContact CB-CG1 4.45Å; W28-V40 WeakPolarHBondContact O-CB 3.45Å; W28-V40 PolarHBondContact O-N 3.05Å; R30-V40 HydrophobicContact CB-CG2 3.87Å; R30-V40 HydrophobicContact CG-CG2 3.64Å; V40-A53 PolarHBondContact O-N 3.36Å; V40-V56 HydrophobicContact CG1-CG1 4.45Å; V40-V56 HydrophobicContact CG1-CG2 4.02Å; V40-F60 HydrophobicContact CG1-CD2 3.84Å; V40-F60 HydrophobicContact CG1-CE2 4.28Å; V40-L73 HydrophobicContact CG1-CD2 4.19Å; V40-Y86 HydrophobicContact CG2-CE1 4.28Å
41	A	98.5	Very high	95.7	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	158.7	-176	0	0	0	0	0	111.8	H27 W28 W39 Y51 Y52 I62 L73	H27-A41 CarbonylContact C-O 3.48Å; H27-A41 VanDerWaalsContact CA-O 3.29Å; H27-A41 WeakPolarHBondContact CA-O 3.49Å; W28-A41 PolarHBondContact N-O 3.02Å; W28-A41 PolarHBondContact O-N 2.94Å; W39-A41 VanDerWaalsContact CZ2-C 3.41Å; W39-A41 PolarHBondContact NE1-O 2.97Å; A41-Y51 CarbonylContact C-O 3.56Å; A41-Y51 VanDerWaalsContact CA-O 3.23Å; A41-Y51 WeakPolarHBondContact CA-O 3.29Å; A41-Y52 HydrophobicContact CB-CD1 3.76Å; A41-Y52 HydrophobicContact CB-CE1 4.07Å; A41-I62 HydrophobicContact CB-CB 4.03Å; A41-I62 HydrophobicContact CB-CD1 3.98Å; A41-I62 HydrophobicContact CB-CG2 4.18Å; A41-L73 HydrophobicContact CB-CD1 4.49Å
42	Y	98.6	Very high	95.8	Very high	32 Å²	32	67.5 Å²	67.5	13%	0.125	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.8	174.8	170.6	-100.1	0	0	0	110.4	M26 H27 I50 Y51 E91	M26-Y42 WeakPolarHBondContact O-CA 3.38Å; M26-Y42 WeakPolarHBondContact O-CD2 3.45Å; H27-Y42 AromaticContact CD2-CD2 3.88Å; H27-Y42 AromaticContact CE1-CD2 3.27Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.42Å; H27-Y42 AromaticContact CE1-CE2 3.79Å; H27-Y42 AromaticContact CG-CD2 3.99Å; H27-Y42 AromaticContact ND1-CD2 3.64Å; H27-Y42 AromaticContact NE2-CD2 3.41Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.4Å; H27-Y42 AromaticContact NE2-CE2 3.57Å; Y42-I50 WeakPolarHBondContact O-CA 3.44Å; Y42-I50 WeakPolarHBondContact O-CG2 3.23Å; Y42-Y51 AromaticContact CD1-CD2 3.76Å; Y42-Y51 HydrophobicContact CD1-CD2 3.76Å; Y42-Y51 HydrophobicContact CD1-CE2 4.36Å; Y42-Y51 HydrophobicContact CE1-CD2 4.47Å; Y42-Y51 PolarHBondContact N-O 2.87Å; Y42-Y51 PolarHBondContact O-N 3.15Å; Y42-E91 WeakPolarHBondContact CE2-OE2 3.49Å; Y42-E91 PolarHBondContact OH-OE2 3.04Å
43	I	98.8	Very high	96	Very high	3 Å²	3	67.3 Å²	67.3	2%	0.015	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	129.6	169	-174.3	161.5	0	0	0	109.6	G25 M26 I50 I62 R64 L71	G25-I43 WeakPolarHBondContact CA-O 3.38Å; M26-I43 HydrophobicContact CB-CG2 4.14Å; M26-I43 PolarHBondContact N-O 2.85Å; M26-I43 PolarHBondContact O-N 3.34Å; I43-I50 HydrophobicContact CB-CG1 4.49Å; I43-I50 HydrophobicContact CD1-CD1 4.09Å; I43-I50 HydrophobicContact CD1-CG1 4.26Å; I43-I50 HydrophobicContact CG1-CD1 4.41Å; I43-I50 HydrophobicContact CG1-CG1 4.03Å; I43-I62 HydrophobicContact CB-CD1 3.95Å; I43-I62 HydrophobicContact CB-CG1 4.18Å; I43-I62 HydrophobicContact CB-CG2 4.04Å; I43-I62 HydrophobicContact CG2-CD1 3.54Å; I43-I62 HydrophobicContact CG2-CG1 3.84Å; I43-R64 HydrophobicContact CD1-CG 3.94Å; I43-R64 HydrophobicContact CG1-CG 4.48Å; I43-L71 HydrophobicContact CG2-CD1 3.62Å
44	S	98.4	Very high	96.4	Very high	11 Å²	11	67.5 Å²	67.5	8%	0.077	37%	0.369	C	S	.	.			trans	-69.8	164.1	177.4	70.3	0	0	0	0	112.3	G46 S47 S48 T49 R64	S44-G46 PolarHBondContact O-N 2.89Å; S44-G46 VanDerWaalsContact O-N 3.16Å; S44-S47 PolarHBondContact O-N 2.78Å; S44-S47 PolarHBondContact OG-N 3.11Å; S44-S48 PolarHBondContact OG-N 2.95Å; S44-S48 PolarHBondContact OG-OG 2.89Å; S44-T49 PolarHBondContact N-O 3.35Å; S44-T49 PolarHBondContact OG-N 2.7Å; S44-T49 VanDerWaalsContact OG-N 3.15Å; S44-R64 PolarHBondContact O-NH1 2.92Å
45	S	96.8	Very high	96.7	Very high	50 Å²	50	62.5 Å²	62.5	35%	0.35	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-19	177.8	62.3	0	0	0	0	114.5	S22 R64	S22-S45 WeakPolarHBondContact O-CB 3.13Å; S45-R64 VanDerWaalsContact CA-NH1 3.32Å; S45-R64 PolarHBondContact O-NH1 3.44Å
46	G	95.3	Very high	97.1	Very high	54 Å²	54	57.1 Å²	57.1	56%	0.557	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-1.4	172.1	0	0	0	0	0	114	S44 S48	S44-G46 PolarHBondContact O-N 2.89Å; S44-G46 VanDerWaalsContact O-N 3.16Å; G46-S48 PolarHBondContact O-N 2.87Å; G46-S48 VanDerWaalsContact O-N 3.09Å
47	S	96.8	Very high	97.3	Very high	53 Å²	53	61.4 Å²	61.4	37%	0.371	33%	0.332	S	S	.	.	S	Bend	trans	57.2	14.5	-169.4	-51.4	0	0	0	0	114.4	S44 T49	S44-S47 PolarHBondContact O-N 2.78Å; S44-S47 PolarHBondContact OG-N 3.11Å; S47-T49 VanDerWaalsContact C-N 3.35Å
48	S	96.8	Very high	97.3	Very high	104 Å²	104	59.5 Å²	59.5	73%	0.727	34%	0.341	S	S	*	.			trans	-77.6	-22.9	178.9	54.5	0	0	0	0	112.9	S44 G46	S44-S48 PolarHBondContact OG-N 2.95Å; S44-S48 PolarHBondContact OG-OG 2.89Å; G46-S48 PolarHBondContact O-N 2.87Å; G46-S48 VanDerWaalsContact O-N 3.09Å
49	T	98.1	Very high	97.3	Very high	51 Å²	51	58 Å²	58	31%	0.313	33%	0.333	S	S	.	.			trans	-127.4	126.2	-177.9	-52.5	0	0	0	0	108.5	S44 S47 Y51	S44-T49 PolarHBondContact N-O 3.35Å; S44-T49 PolarHBondContact OG-N 2.7Å; S44-T49 VanDerWaalsContact OG-N 3.15Å; S47-T49 VanDerWaalsContact C-N 3.35Å; T49-Y51 HydrophobicContact CG2-CD2 4.02Å; T49-Y51 HydrophobicContact CG2-CE1 4.33Å; T49-Y51 HydrophobicContact CG2-CE2 3.27Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.46Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.38Å
50	I	98.6	Very high	97.3	Very high	68 Å²	68	53.2 Å²	53.2	35%	0.349	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.1	179.7	-59	179.9	0	0	0	108.4	Y42 I43 Y52 I62	Y42-I50 WeakPolarHBondContact O-CA 3.44Å; Y42-I50 WeakPolarHBondContact O-CG2 3.23Å; I43-I50 HydrophobicContact CB-CG1 4.49Å; I43-I50 HydrophobicContact CD1-CD1 4.09Å; I43-I50 HydrophobicContact CD1-CG1 4.26Å; I43-I50 HydrophobicContact CG1-CD1 4.41Å; I43-I50 HydrophobicContact CG1-CG1 4.03Å; I50-Y52 HydrophobicContact CG2-CD2 4.16Å; I50-Y52 HydrophobicContact CG2-CE1 4.29Å; I50-Y52 HydrophobicContact CG2-CE2 3.38Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.46Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.48Å; I50-I62 HydrophobicContact CG2-CG2 3.5Å; I50-I62 VanDerWaalsContact CG2-CG2 3.5Å
51	Y	98.5	Very high	97.3	Very high	143 Å²	143	56.8 Å²	56.8	56%	0.561	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	150	174.6	-59.3	-66.5	0	0	0	110.6	A41 Y42 T49	A41-Y51 CarbonylContact C-O 3.56Å; A41-Y51 VanDerWaalsContact CA-O 3.23Å; A41-Y51 WeakPolarHBondContact CA-O 3.29Å; Y42-Y51 AromaticContact CD1-CD2 3.76Å; Y42-Y51 HydrophobicContact CD1-CD2 3.76Å; Y42-Y51 HydrophobicContact CD1-CE2 4.36Å; Y42-Y51 HydrophobicContact CE1-CD2 4.47Å; Y42-Y51 PolarHBondContact N-O 2.87Å; Y42-Y51 PolarHBondContact O-N 3.15Å; T49-Y51 HydrophobicContact CG2-CD2 4.02Å; T49-Y51 HydrophobicContact CG2-CE1 4.33Å; T49-Y51 HydrophobicContact CG2-CE2 3.27Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.46Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.38Å
52	Y	98.6	Very high	97.3	Very high	58 Å²	58	57 Å²	57	23%	0.227	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144.9	177.5	-62.3	-79.1	0	0	0	109.5	W39 A41 I50 F60 T61 I62	W39-Y52 VanDerWaalsContact CZ3-C 3.43Å; A41-Y52 HydrophobicContact CB-CD1 3.76Å; A41-Y52 HydrophobicContact CB-CE1 4.07Å; I50-Y52 HydrophobicContact CG2-CD2 4.16Å; I50-Y52 HydrophobicContact CG2-CE1 4.29Å; I50-Y52 HydrophobicContact CG2-CE2 3.38Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.46Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.48Å; Y52-F60 WeakPolarHBondContact CE1-O 3.23Å; Y52-T61 WeakPolarHBondContact OH-CA 3.32Å; Y52-I62 HydrophobicContact CE1-CB 4.25Å; Y52-I62 HydrophobicContact CE1-CG2 3.83Å; Y52-I62 PolarHBondContact OH-N 3.41Å; Y52-I62 VanDerWaalsContact OH-N 3.16Å
53	A	97.8	Very high	97.3	Very high	15 Å²	15	57.5 Å²	57.5	12%	0.124	35%	0.346	C	S	.	.			trans	-65.5	143.5	167.3	0	0	0	0	0	109.9	W39 V40 T55 V56 K57	W39-A53 HydrophobicContact CE3-CB 3.91Å; W39-A53 HydrophobicContact CZ3-CB 3.92Å; W39-A53 WeakPolarHBondContact O-CB 3.32Å; V40-A53 PolarHBondContact O-N 3.36Å; A53-T55 PolarHBondContact O-N 2.93Å; A53-T55 VanDerWaalsContact O-N 3.12Å; A53-V56 HydrophobicContact CB-CG2 4.2Å; A53-V56 WeakPolarHBondContact O-CG2 3.49Å; A53-V56 PolarHBondContact O-N 3.04Å; A53-K57 PolarHBondContact O-N 2.98Å
54	D	97	Very high	97.3	Very high	138 Å²	138	58.7 Å²	58.7	74%	0.738	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.1	-176.8	-69.2	-36	0	0	0	112.6	V56	D54-V56 PolarHBondContact O-N 2.84Å
55	T	94.4	Very high	97.3	Very high	89 Å²	89	59.9 Å²	59.9	55%	0.546	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.1	178.2	56.3	0	0	0	0	114.1	A53 R59	A53-T55 PolarHBondContact O-N 2.93Å; A53-T55 VanDerWaalsContact O-N 3.12Å; T55-R59 PolarHBondContact O-NH2 3.39Å
56	V	96.4	Very high	97.3	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.006	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-6.2	-176.3	-57.5	0	0	0	0	113.5	V40 A53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG1 4.45Å; V40-V56 HydrophobicContact CG1-CG2 4.02Å; A53-V56 HydrophobicContact CB-CG2 4.2Å; A53-V56 WeakPolarHBondContact O-CG2 3.49Å; A53-V56 PolarHBondContact O-N 3.04Å; D54-V56 PolarHBondContact O-N 2.84Å; V56-G58 PolarHBondContact O-N 3.14Å; V56-R59 PolarHBondContact O-N 3.33Å; V56-F60 HydrophobicContact CB-CB 4.04Å; V56-F60 HydrophobicContact CB-CD1 4.25Å; V56-F60 HydrophobicContact CB-CD2 3.65Å; V56-F60 HydrophobicContact CB-CE2 4.1Å; V56-F60 HydrophobicContact CB-CG 3.73Å; V56-F60 HydrophobicContact CG1-CD2 3.68Å; V56-F60 HydrophobicContact CG1-CE2 3.61Å; V56-F60 HydrophobicContact CG1-CG 4.19Å; V56-F60 HydrophobicContact CG1-CZ 4.05Å; V56-F60 HydrophobicContact CG2-CB 4.24Å; V56-F60 HydrophobicContact CG2-CD2 4.12Å; V56-F60 HydrophobicContact CG2-CG 4.34Å; V56-F60 PolarHBondContact O-N 3.21Å
57	K	95.9	Very high	97.3	Very high	142 Å²	142	63.3 Å²	63.3	62%	0.617	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	130.7	-179.1	-166.3	173.4	-174.1	175.5	0	110.6	A53 R59	A53-K57 PolarHBondContact O-N 2.98Å; K57-R59 VanDerWaalsContact C-N 3.26Å; K57-R59 PolarHBondContact O-N 3.06Å
58	G	95.9	Very high	97.4	Very high	79 Å²	79	67.3 Å²	67.3	81%	0.814	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-6.9	-176.7	0	0	0	0	0	115.4	V56	V56-G58 PolarHBondContact O-N 3.14Å
59	R	96.9	Very high	97.4	Very high	23 Å²	23	65.5 Å²	65.5	9%	0.087	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-35.3	176.3	-58.6	-170.9	-58.6	113.9	-0.1	112.2	T55 V56 K57 T76 S77 D82	T55-R59 PolarHBondContact O-NH2 3.39Å; V56-R59 PolarHBondContact O-N 3.33Å; K57-R59 VanDerWaalsContact C-N 3.26Å; K57-R59 PolarHBondContact O-N 3.06Å; R59-T76 PolarHBondContact O-N 2.8Å; R59-T76 PolarHBondContact O-OG1 2.94Å; R59-S77 PolarHBondContact NH1-O 2.01Å; R59-D82 IonicContact CZ-OD1 3.85Å; R59-D82 IonicContact CZ-OD2 3.42Å; R59-D82 IonicContact NH1-OD1 3.8Å; R59-D82 IonicContact NH1-OD2 2.67Å; R59-D82 PolarHBondContact NH1-OD2 3.03Å; R59-D82 IonicContact NH2-OD1 2.95Å; R59-D82 PolarHBondContact NH2-OD1 3.01Å; R59-D82 IonicContact NH2-OD2 3.27Å; R59-D82 PolarHBondContact NH2-OD2 3.48Å
60	F	97.7	Very high	97.4	Very high	3 Å²	3	64 Å²	64	1%	0.013	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	143.1	-177.3	-68.7	14.8	0	0	0	110.2	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD2 3.84Å; V40-F60 HydrophobicContact CG1-CE2 4.28Å; Y52-F60 WeakPolarHBondContact CE1-O 3.23Å; V56-F60 HydrophobicContact CB-CB 4.04Å; V56-F60 HydrophobicContact CB-CD1 4.25Å; V56-F60 HydrophobicContact CB-CD2 3.65Å; V56-F60 HydrophobicContact CB-CE2 4.1Å; V56-F60 HydrophobicContact CB-CG 3.73Å; V56-F60 HydrophobicContact CG1-CD2 3.68Å; V56-F60 HydrophobicContact CG1-CE2 3.61Å; V56-F60 HydrophobicContact CG1-CG 4.19Å; V56-F60 HydrophobicContact CG1-CZ 4.05Å; V56-F60 HydrophobicContact CG2-CB 4.24Å; V56-F60 HydrophobicContact CG2-CD2 4.12Å; V56-F60 HydrophobicContact CG2-CG 4.34Å; V56-F60 PolarHBondContact O-N 3.21Å; F60-L73 HydrophobicContact CB-CD1 4.2Å; F60-L73 HydrophobicContact CD2-CD1 4.45Å; F60-L73 HydrophobicContact CD2-CD2 4.03Å; F60-L73 HydrophobicContact CD2-CG 4.4Å; F60-L73 HydrophobicContact CE2-CD2 4.46Å; F60-Q74 CarbonylContact C-O 3.43Å; F60-Q74 VanDerWaalsContact CA-O 3.29Å; F60-Q74 WeakPolarHBondContact CA-O 3.47Å; F60-M75 HydrophobicContact CD1-CB 3.8Å; F60-M75 HydrophobicContact CD1-CG 4.04Å; F60-M75 HydrophobicContact CD2-CG 3.96Å; F60-M75 HydrophobicContact CD2-SD 4.49Å; F60-M75 HydrophobicContact CE1-CB 3.66Å; F60-M75 HydrophobicContact CE1-CG 4Å; F60-M75 HydrophobicContact CE2-CB 4.45Å; F60-M75 HydrophobicContact CE2-CG 3.88Å; F60-M75 HydrophobicContact CE2-SD 3.92Å; F60-M75 HydrophobicContact CG-CB 4.3Å; F60-M75 HydrophobicContact CG-CG 4.05Å; F60-M75 HydrophobicContact CZ-CB 4.01Å; F60-M75 HydrophobicContact CZ-CG 3.92Å; F60-M75 HydrophobicContact CZ-SD 4.01Å; F60-L78 HydrophobicContact CE1-CD2 4.08Å; F60-L78 HydrophobicContact CZ-CD2 4.04Å; F60-D82 HydrophobicContact CZ-CB 4.07Å; F60-Y86 HydrophobicContact CE2-CE1 4.2Å
61	T	98.4	Very high	97.4	Very high	75 Å²	75	60.8 Å²	60.8	46%	0.46	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	116.3	178.2	-53.5	0	0	0	0	109.4	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.32Å; T61-Q74 PolarHBondContact N-O 2.95Å; T61-Q74 PolarHBondContact O-N 2.94Å
62	I	98.6	Very high	97.4	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140	174.1	-169.5	172	0	0	0	109.2	A41 I43 I50 Y52 L71 F72 L73	A41-I62 HydrophobicContact CB-CB 4.03Å; A41-I62 HydrophobicContact CB-CD1 3.98Å; A41-I62 HydrophobicContact CB-CG2 4.18Å; I43-I62 HydrophobicContact CB-CD1 3.95Å; I43-I62 HydrophobicContact CB-CG1 4.18Å; I43-I62 HydrophobicContact CB-CG2 4.04Å; I43-I62 HydrophobicContact CG2-CD1 3.54Å; I43-I62 HydrophobicContact CG2-CG1 3.84Å; I50-I62 HydrophobicContact CG2-CG2 3.5Å; I50-I62 VanDerWaalsContact CG2-CG2 3.5Å; Y52-I62 HydrophobicContact CE1-CB 4.25Å; Y52-I62 HydrophobicContact CE1-CG2 3.83Å; Y52-I62 PolarHBondContact OH-N 3.41Å; Y52-I62 VanDerWaalsContact OH-N 3.16Å; I62-L71 HydrophobicContact CD1-CD1 4.1Å; I62-L71 HydrophobicContact CG1-CD1 4.05Å; I62-F72 WeakPolarHBondContact CA-O 3.4Å; I62-L73 HydrophobicContact CB-CD1 4.26Å
63	S	98.5	Very high	97.4	Very high	43 Å²	43	53 Å²	53	30%	0.301	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	163.2	174.9	55.4	0	0	0	0	110.2	F72	S63-F72 PolarHBondContact N-O 3.08Å; S63-F72 PolarHBondContact O-N 2.94Å
64	R	98.3	Very high	97.4	Very high	29 Å²	29	55 Å²	55	11%	0.109	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	152.9	-178.9	64.3	-165.1	-70.2	-104.6	10.7	112.1	F21 F24 I43 S44 S45 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.06Å; F21-R64 HydrophobicContact CZ-CB 4.02Å; F21-R64 PolarHBondContact O-NH2 2.82Å; F24-R64 PolarHBondContact O-NH2 3.25Å; I43-R64 HydrophobicContact CD1-CG 3.94Å; I43-R64 HydrophobicContact CG1-CG 4.48Å; S44-R64 PolarHBondContact O-NH1 2.92Å; S45-R64 VanDerWaalsContact CA-NH1 3.32Å; S45-R64 PolarHBondContact O-NH1 3.44Å; R64-N66 PolarHBondContact NE-OD1 2.93Å; R64-N66 PolarHBondContact NH1-ND2 2.68Å; R64-N66 PolarHBondContact NH1-OD1 3.16Å; R64-N66 PolarHBondContact NH2-OD1 3.01Å; R64-T70 WeakPolarHBondContact CA-O 3.02Å; R64-L71 HydrophobicContact CB-CD1 4.06Å
65	D	97.8	Very high	97.4	Very high	36 Å²	36	48.8 Å²	48.8	19%	0.193	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	105.7	174.8	-175.8	-30.4	0	0	0	108	P67 K68 N69 T70 F72	D65-P67 WeakPolarHBondContact OD1-CD 3.49Å; D65-K68 HydrophobicContact CB-CB 4.17Å; D65-K68 PolarHBondContact O-N 3.27Å; D65-K68 WeakPolarHBondContact OD1-CG 3.48Å; D65-K68 PolarHBondContact OD1-N 3.16Å; D65-K68 VanDerWaalsContact OD2-CD 3.24Å; D65-K68 WeakPolarHBondContact OD2-CD 3.17Å; D65-K68 WeakPolarHBondContact OD2-CE 3.29Å; D65-K68 WeakPolarHBondContact OD2-CG 3.48Å; D65-K68 IonicContact OD2-NZ 2.74Å; D65-K68 PolarHBondContact OD2-NZ 3.09Å; D65-N69 PolarHBondContact O-N 2.83Å; D65-T70 PolarHBondContact N-O 3.32Å; D65-T70 PolarHBondContact O-N 3.26Å; D65-F72 HydrophobicContact CB-CE2 3.89Å
66	N	97	Very high	97.5	Very high	54 Å²	54	47.1 Å²	47.1	29%	0.289	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-49.1	-177.3	-75.3	-18.2	0	0	0	112.7	R64 K68 N69	R64-N66 PolarHBondContact NE-OD1 2.93Å; R64-N66 PolarHBondContact NH1-ND2 2.68Å; R64-N66 PolarHBondContact NH1-OD1 3.16Å; R64-N66 PolarHBondContact NH2-OD1 3.01Å; N66-K68 PolarHBondContact O-N 3.43Å; N66-N69 PolarHBondContact O-N 2.79Å; N66-N69 PolarHBondContact O-OD1 2.79Å
67	P	96.3	Very high	97.3	Very high	122 Å²	122	50.3 Å²	50.3	79%	0.792	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-33.9	174.2	-28.5	34.3	0	0	0	114	D65	D65-P67 WeakPolarHBondContact OD1-CD 3.49Å
68	K	97.3	Very high	97.3	Very high	136 Å²	136	44.6 Å²	44.6	59%	0.591	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	2.3	179.1	-60.1	-170.7	-167.5	115	0	114.6	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.17Å; D65-K68 PolarHBondContact O-N 3.27Å; D65-K68 WeakPolarHBondContact OD1-CG 3.48Å; D65-K68 PolarHBondContact OD1-N 3.16Å; D65-K68 VanDerWaalsContact OD2-CD 3.24Å; D65-K68 WeakPolarHBondContact OD2-CD 3.17Å; D65-K68 WeakPolarHBondContact OD2-CE 3.29Å; D65-K68 WeakPolarHBondContact OD2-CG 3.48Å; D65-K68 IonicContact OD2-NZ 2.74Å; D65-K68 PolarHBondContact OD2-NZ 3.09Å; N66-K68 PolarHBondContact O-N 3.43Å; K68-T70 PolarHBondContact O-N 2.85Å; K68-T70 VanDerWaalsContact O-N 3.08Å; K68-T70 PolarHBondContact O-OG1 3.15Å
69	N	97.6	Very high	97.1	Very high	67 Å²	67	47.5 Å²	47.5	36%	0.358	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	38.4	-173.8	-58.4	-43.9	0	0	0	113.1	A16 F21 D65 N66	A16-N69 PolarHBondContact N-O 2.84Å; F21-N69 HydrophobicContact CB-CB 3.92Å; F21-N69 WeakPolarHBondContact CB-OD1 3Å; F21-N69 HydrophobicContact CG-CB 4.19Å; D65-N69 PolarHBondContact O-N 2.83Å; N66-N69 PolarHBondContact O-N 2.79Å; N66-N69 PolarHBondContact O-OD1 2.79Å
70	T	98.3	Very high	96.8	Very high	19 Å²	19	50.2 Å²	50.2	12%	0.117	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	129.4	-170.5	-57.9	0	0	0	0	111.5	C14 R64 D65 K68 F72	C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.11Å; R64-T70 WeakPolarHBondContact CA-O 3.02Å; D65-T70 PolarHBondContact N-O 3.32Å; D65-T70 PolarHBondContact O-N 3.26Å; K68-T70 PolarHBondContact O-N 2.85Å; K68-T70 VanDerWaalsContact O-N 3.08Å; K68-T70 PolarHBondContact O-OG1 3.15Å; T70-F72 HydrophobicContact CG2-CD1 4.16Å; T70-F72 HydrophobicContact CG2-CD2 4.37Å; T70-F72 HydrophobicContact CG2-CE1 3.55Å; T70-F72 HydrophobicContact CG2-CE2 3.77Å; T70-F72 HydrophobicContact CG2-CZ 3.33Å
71	L	98.6	Very high	96.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	141.5	171	-170.7	70.8	0	0	0	110	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.51Å; S13-L71 VanDerWaalsContact CA-O 3.31Å; S13-L71 WeakPolarHBondContact CA-O 3.3Å; C14-L71 HydrophobicContact CB-CB 4.37Å; C14-L71 PolarHBondContact N-O 2.96Å; C14-L71 PolarHBondContact O-N 2.94Å; F21-L71 HydrophobicContact CE2-CB 4.29Å; F21-L71 HydrophobicContact CZ-CB 4.2Å; M26-L71 HydrophobicContact CB-CD1 3.69Å; M26-L71 HydrophobicContact CB-CD2 3.87Å; M26-L71 HydrophobicContact CB-CG 4.34Å; M26-L71 HydrophobicContact CG-CD1 4.31Å; W28-L71 HydrophobicContact CD2-CD2 4.37Å; W28-L71 HydrophobicContact CG-CD2 4.3Å; W28-L71 HydrophobicContact CZ2-CD2 4.39Å; W28-L71 VanDerWaalsContact NE1-CD2 3.3Å; I43-L71 HydrophobicContact CG2-CD1 3.62Å; I62-L71 HydrophobicContact CD1-CD1 4.1Å; I62-L71 HydrophobicContact CG1-CD1 4.05Å; R64-L71 HydrophobicContact CB-CD1 4.06Å; L71-C88 HydrophobicContact CD2-CB 3.96Å
72	F	98.6	Very high	96.2	Very high	38 Å²	38	52.5 Å²	52.5	17%	0.167	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.1	178.2	-56.5	-81.2	0	0	0	111.6	K11 L12 W28 I62 S63 D65 T70	K11-F72 HydrophobicContact CD-CD1 4.47Å; K11-F72 VanDerWaalsContact CE-CD1 3.49Å; L12-F72 VanDerWaalsContact O-CA 3.23Å; L12-F72 WeakPolarHBondContact O-CA 3.24Å; W28-F72 PolarHBondContact NE1-O 3.1Å; I62-F72 WeakPolarHBondContact CA-O 3.4Å; S63-F72 PolarHBondContact N-O 3.08Å; S63-F72 PolarHBondContact O-N 2.94Å; D65-F72 HydrophobicContact CB-CE2 3.89Å; T70-F72 HydrophobicContact CG2-CD1 4.16Å; T70-F72 HydrophobicContact CG2-CD2 4.37Å; T70-F72 HydrophobicContact CG2-CE1 3.55Å; T70-F72 HydrophobicContact CG2-CE2 3.77Å; T70-F72 HydrophobicContact CG2-CZ 3.33Å
73	L	98.6	Very high	95.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	108.7	167.9	-169.8	65.6	0	0	0	108.5	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 CarbonylContact C-O 3.57Å; K11-L73 WeakPolarHBondContact CA-O 3.49Å; L12-L73 HydrophobicContact CB-CB 4.28Å; L12-L73 HydrophobicContact CD1-CD2 4.45Å; L12-L73 PolarHBondContact N-O 2.84Å; L12-L73 PolarHBondContact O-N 3.06Å; W28-L73 HydrophobicContact CB-CD2 4.31Å; W28-L73 HydrophobicContact CD2-CB 4.11Å; W28-L73 HydrophobicContact CD2-CD2 4.18Å; W28-L73 HydrophobicContact CG-CB 4.22Å; W28-L73 HydrophobicContact CG-CD1 4.38Å; W28-L73 HydrophobicContact CG-CD2 4.02Å; W28-L73 HydrophobicContact CG-CG 4.45Å; W28-L73 HydrophobicContact CZ2-CB 4.16Å; V40-L73 HydrophobicContact CG1-CD2 4.19Å; A41-L73 HydrophobicContact CB-CD1 4.49Å; F60-L73 HydrophobicContact CB-CD1 4.2Å; F60-L73 HydrophobicContact CD2-CD1 4.45Å; F60-L73 HydrophobicContact CD2-CD2 4.03Å; F60-L73 HydrophobicContact CD2-CG 4.4Å; F60-L73 HydrophobicContact CE2-CD2 4.46Å; I62-L73 HydrophobicContact CB-CD1 4.26Å; L73-M75 HydrophobicContact CD2-CG 3.95Å; L73-M75 HydrophobicContact CD2-SD 3.99Å; L73-M75 HydrophobicContact CG-CG 3.87Å; L73-Y86 HydrophobicContact CD2-CD1 4.08Å; L73-Y86 HydrophobicContact CD2-CE1 4.18Å
74	Q	98.1	Very high	95.7	Very high	58 Å²	58	56.4 Å²	56.4	27%	0.271	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	120.4	168.4	-177.2	65.3	39.4	0	0	107.9	F60 T61 T76	F60-Q74 CarbonylContact C-O 3.43Å; F60-Q74 VanDerWaalsContact CA-O 3.29Å; F60-Q74 WeakPolarHBondContact CA-O 3.47Å; T61-Q74 PolarHBondContact N-O 2.95Å; T61-Q74 PolarHBondContact O-N 2.94Å; Q74-T76 HydrophobicContact CG-CG2 4.29Å
75	M	96.8	Very high	95.6	Very high	7 Å²	7	60.7 Å²	60.7	3%	0.034	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.7	178.7	-54	178.4	-57.5	0	0	107.9	S9 R10 L12 F60 L73 L78 Y86	S9-M75 CarbonylContact C-O 3.53Å; S9-M75 WeakPolarHBondContact CA-O 3.37Å; S9-M75 WeakPolarHBondContact CB-O 3.15Å; R10-M75 HydrophobicContact CB-CE 3.77Å; R10-M75 HydrophobicContact CG-CE 4.13Å; R10-M75 PolarHBondContact N-O 2.93Å; R10-M75 WeakPolarHBondContact O-CB 3.4Å; R10-M75 PolarHBondContact O-N 2.99Å; L12-M75 HydrophobicContact CD1-CE 3.83Å; L12-M75 HydrophobicContact CD1-SD 3.87Å; L12-M75 HydrophobicContact CD2-CE 3.89Å; L12-M75 HydrophobicContact CG-CE 3.64Å; L12-M75 HydrophobicContact CG-SD 4.18Å; F60-M75 HydrophobicContact CD1-CB 3.8Å; F60-M75 HydrophobicContact CD1-CG 4.04Å; F60-M75 HydrophobicContact CD2-CG 3.96Å; F60-M75 HydrophobicContact CD2-SD 4.49Å; F60-M75 HydrophobicContact CE1-CB 3.66Å; F60-M75 HydrophobicContact CE1-CG 4Å; F60-M75 HydrophobicContact CE2-CB 4.45Å; F60-M75 HydrophobicContact CE2-CG 3.88Å; F60-M75 HydrophobicContact CE2-SD 3.92Å; F60-M75 HydrophobicContact CG-CB 4.3Å; F60-M75 HydrophobicContact CG-CG 4.05Å; F60-M75 HydrophobicContact CZ-CB 4.01Å; F60-M75 HydrophobicContact CZ-CG 3.92Å; F60-M75 HydrophobicContact CZ-SD 4.01Å; L73-M75 HydrophobicContact CD2-CG 3.95Å; L73-M75 HydrophobicContact CD2-SD 3.99Å; L73-M75 HydrophobicContact CG-CG 3.87Å; M75-L78 HydrophobicContact CB-CD2 3.78Å; M75-L78 HydrophobicContact CB-CG 4.24Å; M75-L78 HydrophobicContact CE-CD2 4.22Å; M75-L78 HydrophobicContact SD-CD2 4.26Å; M75-Y86 HydrophobicContact SD-CE1 4.13Å; M75-Y86 HydrophobicContact SD-CE2 4.47Å
76	T	95.6	Very high	95.6	Very high	53 Å²	53	60.8 Å²	60.8	33%	0.325	32%	0.324	S	S	.	.			trans	-114.6	161.1	174	66.6	0	0	0	0	110.1	R59 Q74 L78	R59-T76 PolarHBondContact O-N 2.8Å; R59-T76 PolarHBondContact O-OG1 2.94Å; Q74-T76 HydrophobicContact CG-CG2 4.29Å; T76-L78 VanDerWaalsContact C-N 3.26Å; T76-L78 PolarHBondContact O-N 3.41Å
77	S	93.6	Very high	95.6	Very high	69 Å²	69	63 Å²	63	48%	0.483	33%	0.329	S	S	.	.	S	Bend	trans	48.9	50.4	179.1	-55.8	0	0	0	0	111.8	G8 R59	G8-S77 PolarHBondContact O-N 2.6Å; R59-S77 PolarHBondContact NH1-O 2.01Å
78	L	94.1	Very high	95.6	Very high	22 Å²	22	59.3 Å²	59.3	12%	0.115	31%	0.306	C	S	.	.			trans	-60.4	137.8	-178.2	-79.2	168.5	0	0	0	110.9	V4 G7 G8 R10 F60 M75 T76 D82	V4-L78 HydrophobicContact CB-CD1 4.29Å; V4-L78 HydrophobicContact CG1-CD1 3.96Å; G7-L78 PolarHBondContact N-O 3.48Å; G8-L78 PolarHBondContact O-N 3.31Å; G8-L78 VanDerWaalsContact O-N 3.14Å; R10-L78 HydrophobicContact CB-CD1 4.06Å; F60-L78 HydrophobicContact CE1-CD2 4.08Å; F60-L78 HydrophobicContact CZ-CD2 4.04Å; M75-L78 HydrophobicContact CB-CD2 3.78Å; M75-L78 HydrophobicContact CB-CG 4.24Å; M75-L78 HydrophobicContact CE-CD2 4.22Å; M75-L78 HydrophobicContact SD-CD2 4.26Å; T76-L78 VanDerWaalsContact C-N 3.26Å; T76-L78 PolarHBondContact O-N 3.41Å; L78-D82 HydrophobicContact CD2-CB 3.9Å
79	R	93.1	Very high	95.6	Very high	139 Å²	139	54.7 Å²	54.7	53%	0.525	29%	0.293	S	S	.	.			trans	-114.9	167	177.3	-54.1	177	179	172.4	-1.7	110.5	E81 D82	R79-E81 WeakPolarHBondContact CB-OE2 3.33Å; R79-E81 PolarHBondContact O-N 2.77Å; R79-D82 PolarHBondContact N-OD2 3.26Å; R79-D82 WeakPolarHBondContact O-CB 3.33Å; R79-D82 PolarHBondContact O-N 2.79Å
80	S	89.8	Confident	95.5	Very high	81 Å²	81	57.3 Å²	57.3	57%	0.566	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-53.1	-41	173.9	26.1	0	0	0	0	111.9	D82 T83	S80-D82 PolarHBondContact O-N 2.86Å; S80-T83 VanDerWaalsContact O-CB 3.3Å; S80-T83 WeakPolarHBondContact O-CB 3.33Å; S80-T83 PolarHBondContact O-N 2.86Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 3.06Å
81	E	90.5	Very high	95.2	Very high	119 Å²	119	63.2 Å²	63.2	56%	0.556	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-68.8	-13.3	-177.8	-52.6	72.1	-132.2	0	0	113.1	R79 T83	R79-E81 WeakPolarHBondContact CB-OE2 3.33Å; R79-E81 PolarHBondContact O-N 2.77Å; E81-T83 VanDerWaalsContact C-N 3.28Å
82	D	93	Very high	95	Very high	7 Å²	7	66.4 Å²	66.4	4%	0.037	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-85.5	-3.1	176.3	-58.7	-47.2	0	0	0	112.6	R30 R59 F60 L78 R79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 2.93Å; R30-D82 PolarHBondContact NH1-OD1 3.06Å; R59-D82 IonicContact CZ-OD1 3.85Å; R59-D82 IonicContact CZ-OD2 3.42Å; R59-D82 IonicContact NH1-OD1 3.8Å; R59-D82 IonicContact NH1-OD2 2.67Å; R59-D82 PolarHBondContact NH1-OD2 3.03Å; R59-D82 IonicContact NH2-OD1 2.95Å; R59-D82 PolarHBondContact NH2-OD1 3.01Å; R59-D82 IonicContact NH2-OD2 3.27Å; R59-D82 PolarHBondContact NH2-OD2 3.48Å; F60-D82 HydrophobicContact CZ-CB 4.07Å; L78-D82 HydrophobicContact CD2-CB 3.9Å; R79-D82 PolarHBondContact N-OD2 3.26Å; R79-D82 WeakPolarHBondContact O-CB 3.33Å; R79-D82 PolarHBondContact O-N 2.79Å; S80-D82 PolarHBondContact O-N 2.86Å; D82-A84 PolarHBondContact O-N 3.06Å; D82-A84 VanDerWaalsContact O-N 3.11Å; D82-Y86 WeakPolarHBondContact O-CE2 3.23Å; D82-Y86 PolarHBondContact O-OH 3.2Å
83	T	92.6	Very high	94.8	Very high	107 Å²	107	67.9 Å²	67.9	66%	0.656	35%	0.349	S	S	*	.			trans	-71.8	103.9	177.3	-53.2	0	0	0	0	109.8	S80 E81	S80-T83 VanDerWaalsContact O-CB 3.3Å; S80-T83 WeakPolarHBondContact O-CB 3.33Å; S80-T83 PolarHBondContact O-N 2.86Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 3.06Å; E81-T83 VanDerWaalsContact C-N 3.28Å
84	A	94.6	Very high	94.6	Very high	22 Å²	22	71.7 Å²	71.7	18%	0.182	37%	0.369	C	S	.	.	S	Bend	trans	-157	166	-177.4	0	0	0	0	0	110.1	R30 Q31 A32 D82 Y86	R30-A84 HydrophobicContact CB-CB 3.89Å; R30-A84 HydrophobicContact CG-CB 4.18Å; Q31-A84 WeakPolarHBondContact O-CB 3.35Å; A32-A84 HydrophobicContact CB-CB 4.4Å; D82-A84 PolarHBondContact O-N 3.06Å; D82-A84 VanDerWaalsContact O-N 3.11Å; A84-Y86 HydrophobicContact CB-CD2 4.48Å; A84-Y86 HydrophobicContact CB-CE2 4Å; A84-Y86 VanDerWaalsContact O-CD2 3.23Å; A84-Y86 WeakPolarHBondContact O-CD2 3.31Å; A84-Y86 WeakPolarHBondContact O-CE2 3.4Å
85	M	95.9	Very high	94.4	Very high	118 Å²	118	72.5 Å²	72.5	58%	0.581	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	133.1	161.2	-69.8	-58.5	-62.9	0	0	109	R30 Q31 Y87	R30-M85 CarbonylContact C-O 3.59Å; R30-M85 WeakPolarHBondContact CA-O 3.49Å; R30-M85 WeakPolarHBondContact CB-O 3.35Å; Q31-M85 PolarHBondContact N-O 3.27Å; Q31-M85 PolarHBondContact O-N 3.02Å; M85-Y87 HydrophobicContact CB-CE2 3.7Å; M85-Y87 WeakPolarHBondContact CB-OH 3.2Å
86	Y	97.1	Very high	94.3	Very high	39 Å²	39	76.6 Å²	76.6	15%	0.153	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.8	-179.2	-73.7	-100.7	0	0	0	110.2	L12 R30 V40 F60 L73 M75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.02Å; L12-Y86 HydrophobicContact CD1-CD2 4.04Å; L12-Y86 HydrophobicContact CD1-CG 3.62Å; R30-Y86 HydrophobicContact CB-CD1 3.81Å; R30-Y86 HydrophobicContact CB-CE1 3.77Å; R30-Y86 HydrophobicContact CB-CE2 4.46Å; R30-Y86 HydrophobicContact CB-CG 4.18Å; R30-Y86 HydrophobicContact CG-CE1 4.43Å; V40-Y86 HydrophobicContact CG2-CE1 4.28Å; F60-Y86 HydrophobicContact CE2-CE1 4.2Å; L73-Y86 HydrophobicContact CD2-CD1 4.08Å; L73-Y86 HydrophobicContact CD2-CE1 4.18Å; M75-Y86 HydrophobicContact SD-CE1 4.13Å; M75-Y86 HydrophobicContact SD-CE2 4.47Å; D82-Y86 WeakPolarHBondContact O-CE2 3.23Å; D82-Y86 PolarHBondContact O-OH 3.2Å; A84-Y86 HydrophobicContact CB-CD2 4.48Å; A84-Y86 HydrophobicContact CB-CE2 4Å; A84-Y86 VanDerWaalsContact O-CD2 3.23Å; A84-Y86 WeakPolarHBondContact O-CD2 3.31Å; A84-Y86 WeakPolarHBondContact O-CE2 3.4Å
87	Y	97.3	Very high	94.2	Very high	99 Å²	99	78.1 Å²	78.1	39%	0.388	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.6	-177.8	-53.7	-83.8	0	0	0	109.6	W28 V29 Q31 L37 M85	W28-Y87 WeakPolarHBondContact CA-O 3.39Å; V29-Y87 PolarHBondContact N-O 3.17Å; V29-Y87 PolarHBondContact O-N 3.44Å; Q31-Y87 HydrophobicContact CB-CE2 3.95Å; L37-Y87 HydrophobicContact CD2-CD2 4.27Å; L37-Y87 HydrophobicContact CD2-CE2 4.48Å; M85-Y87 HydrophobicContact CB-CE2 3.7Å; M85-Y87 WeakPolarHBondContact CB-OH 3.2Å
88	C	96.8	Very high	94.2	Very high	46 Å²	46	78.8 Å²	78.8	31%	0.311	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	141.1	165.2	50.6	0	0	0	0	109.1	C14 H27 W28 L71	C14-C88 HydrophobicContact CB-CB 3.49Å; C14-C88 VanDerWaalsContact CB-CB 3.49Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.24Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.02Å; H27-C88 CarbonylContact O-C 3.49Å; H27-C88 VanDerWaalsContact O-CA 3.3Å; H27-C88 WeakPolarHBondContact O-CA 3.38Å; W28-C88 HydrophobicContact CZ3-CB 4.46Å; L71-C88 HydrophobicContact CD2-CB 3.96Å
89	A	97.2	Very high	94.2	Very high	39 Å²	39	83.2 Å²	83.2	32%	0.322	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.7	175.2	0	0	0	0	0	109.8	H27	H27-A89 HydrophobicContact CB-CB 4.37Å; H27-A89 PolarHBondContact N-O 3.08Å; H27-A89 PolarHBondContact O-N 2.79Å
90	R	96.2	Very high	94.3	Very high	121 Å²	121	78.5 Å²	78.5	46%	0.457	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	144.6	170.1	-167.5	-168.2	72.2	-159.1	-5.1	108.5	F19 F24 M26	F19-R90 HydrophobicContact CD2-CG 4.24Å; F19-R90 HydrophobicContact CE2-CB 4.3Å; F19-R90 HydrophobicContact CE2-CG 3.72Å; F19-R90 HydrophobicContact CZ-CB 4.14Å; F19-R90 HydrophobicContact CZ-CG 4.07Å; F24-R90 HydrophobicContact CB-CG 3.45Å; F24-R90 VanDerWaalsContact CB-CG 3.45Å; F24-R90 HydrophobicContact CD1-CG 3.87Å; F24-R90 HydrophobicContact CD2-CG 4.3Å; F24-R90 VanDerWaalsContact CG-CD 3.44Å; F24-R90 HydrophobicContact CG-CG 3.63Å; M26-R90 HydrophobicContact CE-CB 4.34Å; M26-R90 HydrophobicContact SD-CB 4.21Å; M26-R90 HydrophobicContact SD-CG 4.06Å
91	E	91.2	Very high	94.8	Very high	144 Å²	144	78.3 Å²	78.3	67%	0.673	39%	0.392	S	S	*	.			trans	-59.4	0	163	-163.6	169.6	-171.9	0	0	112.1	G25 Y42	G25-E91 PolarHBondContact O-N 2.74Å; Y42-E91 WeakPolarHBondContact CE2-OE2 3.49Å; Y42-E91 PolarHBondContact OH-OE2 3.04Å

Retrieved 91 of 91 residues in 46.3 ms (Link to these results)

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