X5J5R9_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5R9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 91 aa.

						>X5J5R9_MOUSE|X5J5R9
AEGGKPGASVKLSCKDSGYTFTSYYMYWVKQRPGQGLEWRGEINPSNGGTNFNEKFKSKATLTVDKSSSTAYMQLSSGTFEEFAVYYCTRG
					

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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	A	36.3	Very low	60.3	Low	154 Å²	154	101.4 Å²	101.4	100%	1.273	66%	0.661	S	S	*	*				0	105.4	0	0	0	0	0	0	107.2	G3	A1-G3 PolarHBondContact O-N 3.26Å
2	E	43.7	Very low	63.1	Low	202 Å²	202	96.3 Å²	96.3	94%	0.944	62%	0.624	S	S	*	*			trans	-82.6	93	173.4	-69.1	-164.1	118	0	0	107.9	G4	E2-G4 PolarHBondContact O-N 3Å
3	G	44.4	Very low	65.6	Low	78 Å²	78	95.3 Å²	95.3	80%	0.804	62%	0.62	S	S	*	*			trans	-68.2	106	171.8	0	0	0	0	0	109.4	A1	A1-G3 PolarHBondContact O-N 3.26Å
4	G	47.8	Very low	67.8	Low	43 Å²	43	89 Å²	89	44%	0.443	58%	0.579	S	S	.	*			trans	-72.3	127.1	177	0	0	0	0	0	111.3	E2	E2-G4 PolarHBondContact O-N 3Å
5	K	49	Very low	69.6	Low	178 Å²	178	93.5 Å²	93.5	77%	0.774	59%	0.586	S	S	*	*			trans	-56	139.3	167.8	-73.8	177.7	175.6	179.9	0	110	G7 A8	K5-G7 PolarHBondContact O-N 3.25Å; K5-A8 PolarHBondContact O-N 2.89Å
6	P	49.6	Very low	70.7	Confident	140 Å²	140	89.3 Å²	89.3	91%	0.909	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	115.5	171.7	21.6	-30.1	0	0	0	109.1
7	G	59.6	Low	71.8	Confident	54 Å²	54	90.2 Å²	90.2	56%	0.557	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	111.8	-7.3	-177.2	0	0	0	0	0	116	K5 S77	K5-G7 PolarHBondContact O-N 3.25Å; G7-S77 WeakPolarHBondContact O-CB 3.35Å; G7-S77 PolarHBondContact O-OG 2.85Å
8	A	69.4	Low	72.6	Confident	47 Å²	47	90.1 Å²	90.1	39%	0.388	59%	0.588	S	S	.	*			trans	-84	141.5	173.2	0	0	0	0	0	111.8	K5	K5-A8 PolarHBondContact O-N 2.89Å
9	S	80.9	Confident	73.4	Confident	65 Å²	65	89.1 Å²	89.1	46%	0.455	57%	0.571	S	S	.	*			trans	-71.8	140.2	166	66.3	0	0	0	0	109.5	L75	S9-L75 VanDerWaalsContact CA-O 3.31Å; S9-L75 WeakPolarHBondContact CA-O 3.21Å; S9-L75 VanDerWaalsContact CB-O 3.27Å; S9-L75 WeakPolarHBondContact CB-O 3.42Å
10	V	89.6	Confident	74.3	Confident	30 Å²	30	88.9 Å²	88.9	18%	0.182	57%	0.569	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-110	131.5	-179.6	176.1	0	0	0	0	108.5	L12 Q74 L75 F80	V10-L12 HydrophobicContact CG1-CD2 4.11Å; V10-L12 HydrophobicContact CG1-CG 4.33Å; V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 WeakPolarHBondContact O-CA 3.41Å; V10-L75 PolarHBondContact N-O 2.8Å; V10-L75 VanDerWaalsContact N-O 3.15Å; V10-L75 PolarHBondContact O-N 2.69Å; V10-F80 HydrophobicContact CB-CB 4.29Å; V10-F80 HydrophobicContact CB-CD2 4.18Å; V10-F80 HydrophobicContact CB-CG 4.25Å; V10-F80 HydrophobicContact CG1-CD2 4.04Å; V10-F80 HydrophobicContact CG1-CE2 4.27Å; V10-F80 HydrophobicContact CG2-CB 3.87Å; V10-F80 HydrophobicContact CG2-CD1 4.13Å; V10-F80 HydrophobicContact CG2-CD2 4.14Å; V10-F80 HydrophobicContact CG2-CG 3.77Å
11	K	92.9	Very high	75.2	Confident	124 Å²	124	85 Å²	85	54%	0.539	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.9	175.3	-173.1	177.9	177.5	-176.7	0	109.6	Y72	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 HydrophobicContact CG-CD1 4.36Å
12	L	94	Very high	78	Confident	41 Å²	41	80.2 Å²	80.2	22%	0.215	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	145.8	173.4	-59.3	172.2	0	0	0	109.4	V10 W28 Y72 M73 L75 Y86	V10-L12 HydrophobicContact CG1-CD2 4.11Å; V10-L12 HydrophobicContact CG1-CG 4.33Å; L12-W28 HydrophobicContact CB-CH2 4.1Å; L12-W28 HydrophobicContact CB-CZ3 3.9Å; L12-W28 HydrophobicContact CD1-CZ3 4.48Å; L12-Y72 VanDerWaalsContact O-CA 3.24Å; L12-Y72 WeakPolarHBondContact O-CA 3.48Å; L12-M73 HydrophobicContact CB-CB 4.47Å; L12-M73 HydrophobicContact CD1-CE 3.56Å; L12-M73 PolarHBondContact N-O 3.37Å; L12-M73 PolarHBondContact O-N 3.09Å; L12-L75 HydrophobicContact CD1-CD1 4.09Å; L12-Y86 HydrophobicContact CD1-CD1 4.06Å; L12-Y86 HydrophobicContact CD1-CD2 4.17Å; L12-Y86 HydrophobicContact CD1-CG 3.69Å
13	S	95.9	Very high	80.4	Confident	83 Å²	83	74.3 Å²	74.3	58%	0.58	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.9	177.1	68	0	0	0	0	110.3	A71 Y72	S13-A71 CarbonylContact C-O 3.52Å; S13-A71 WeakPolarHBondContact CA-O 3.38Å; S13-Y72 VanDerWaalsContact CB-CE1 3.46Å
14	C	95.4	Very high	82.7	Confident	7 Å²	7	74.9 Å²	74.9	5%	0.047	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	106.1	176.7	-176.7	0	0	0	0	108.1	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.81Å; C14-W28 HydrophobicContact CB-CZ2 4.05Å; C14-T70 CarbonylContact O-C 3.57Å; C14-T70 VanDerWaalsContact O-CA 3.31Å; C14-T70 WeakPolarHBondContact O-CA 3.48Å; C14-T70 WeakPolarHBondContact O-CG2 3.43Å; C14-A71 HydrophobicContact CB-CB 4.44Å; C14-A71 PolarHBondContact N-O 2.7Å; C14-A71 PolarHBondContact O-N 2.87Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.29Å; C14-C88 WeakPolarHBondContact SG-CB 3.36Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.44Å
15	K	94.8	Very high	84.9	Confident	156 Å²	156	77.6 Å²	77.6	68%	0.678	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.1	-179.7	-177.1	175.3	-176.6	-179.5	0	109.4	T70	K15-T70 HydrophobicContact CB-CG2 4.33Å
16	D	88.6	Confident	87.2	Confident	27 Å²	27	69.3 Å²	69.3	14%	0.144	42%	0.419	C	S	.	.			trans	-96.5	153.9	177.4	-75.3	-28.3	0	0	0	112.2	Y19 F21 M26 S69	D16-Y19 HydrophobicContact CB-CE1 4.17Å; D16-Y19 HydrophobicContact CB-CE2 3.99Å; D16-Y19 PolarHBondContact OD1-OH 2.8Å; D16-Y19 VanDerWaalsContact OD2-CZ 3.26Å; D16-Y19 PolarHBondContact OD2-OH 2.82Å; D16-F21 HydrophobicContact CB-CD2 3.86Å; D16-F21 HydrophobicContact CB-CE2 4.41Å; D16-F21 VanDerWaalsContact OD2-CD2 3.27Å; D16-F21 WeakPolarHBondContact OD2-CD2 3.5Å; D16-F21 WeakPolarHBondContact OD2-CE2 3.49Å; D16-M26 WeakPolarHBondContact OD2-CE 2.94Å; D16-S69 PolarHBondContact N-O 2.81Å
17	S	87.9	Confident	89.4	Confident	104 Å²	104	65.7 Å²	65.7	73%	0.727	39%	0.388	S	S	*	.			trans	-149.9	153.8	173.5	64.1	0	0	0	0	110.3	Y19	S17-Y19 WeakPolarHBondContact O-CD1 2.93Å
18	G	87.4	Confident	91.1	Very high	89 Å²	89	63.4 Å²	63.4	92%	0.918	36%	0.363	S	S	*	.	S	Bend	trans	86.7	4.4	175.9	0	0	0	0	0	115.8
19	Y	87	Confident	92.3	Very high	70 Å²	70	62.1 Å²	62.1	28%	0.275	35%	0.35	S	S	.	.	S	Bend	trans	-153.9	168.5	173.1	56.8	-93.4	0	0	0	112.2	D16 S17 F21 Y24 R90	D16-Y19 HydrophobicContact CB-CE1 4.17Å; D16-Y19 HydrophobicContact CB-CE2 3.99Å; D16-Y19 PolarHBondContact OD1-OH 2.8Å; D16-Y19 VanDerWaalsContact OD2-CZ 3.26Å; D16-Y19 PolarHBondContact OD2-OH 2.82Å; S17-Y19 WeakPolarHBondContact O-CD1 2.93Å; Y19-F21 PolarHBondContact O-N 3.37Å; Y19-Y24 AromaticContact CD2-CD2 3.71Å; Y19-Y24 HydrophobicContact CD2-CD2 3.71Å; Y19-Y24 HydrophobicContact CD2-CE2 4.09Å; Y19-Y24 HydrophobicContact CE2-CD2 4.04Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; Y19-Y24 HydrophobicContact CG-CE2 4.47Å; Y19-R90 HydrophobicContact CE2-CG 4.21Å; Y19-R90 VanDerWaalsContact CZ-CD 3.43Å; Y19-R90 WeakPolarHBondContact OH-CD 3.37Å
20	T	92.4	Very high	92.9	Very high	85 Å²	85	59.1 Å²	59.1	52%	0.521	33%	0.329	S	S	.	.			trans	-69.4	99.4	172.8	-53.6	0	0	0	0	109.7	T22 S23	T20-T22 PolarHBondContact O-N 2.98Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T20-S23 WeakPolarHBondContact CB-OG 3.21Å; T20-S23 VanDerWaalsContact CG2-OG 3.3Å; T20-S23 WeakPolarHBondContact CG2-OG 3.12Å; T20-S23 WeakPolarHBondContact O-CB 3.49Å; T20-S23 PolarHBondContact O-N 3.16Å
21	F	92.4	Very high	93.1	Very high	7 Å²	7	61 Å²	61	3%	0.031	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-50.8	-37.1	-176.9	177	-120	0	0	0	113.6	D16 Y19 S23 M26 P45 V64 A71	D16-F21 HydrophobicContact CB-CD2 3.86Å; D16-F21 HydrophobicContact CB-CE2 4.41Å; D16-F21 VanDerWaalsContact OD2-CD2 3.27Å; D16-F21 WeakPolarHBondContact OD2-CD2 3.5Å; D16-F21 WeakPolarHBondContact OD2-CE2 3.49Å; Y19-F21 PolarHBondContact O-N 3.37Å; F21-S23 VanDerWaalsContact C-N 3.25Å; F21-S23 PolarHBondContact O-N 3.36Å; F21-M26 HydrophobicContact CE2-CE 4.32Å; F21-P45 HydrophobicContact CD1-CB 3.82Å; F21-P45 HydrophobicContact CD1-CG 4.47Å; F21-P45 HydrophobicContact CD2-CG 4.44Å; F21-P45 HydrophobicContact CE1-CB 3.52Å; F21-P45 HydrophobicContact CE1-CG 4.11Å; F21-P45 HydrophobicContact CE2-CB 4.36Å; F21-P45 HydrophobicContact CE2-CG 4.06Å; F21-P45 HydrophobicContact CG-CB 4.38Å; F21-P45 HydrophobicContact CZ-CB 3.81Å; F21-P45 HydrophobicContact CZ-CG 3.88Å; F21-V64 HydrophobicContact CE1-CB 4.26Å; F21-V64 HydrophobicContact CE1-CG1 4.36Å; F21-V64 HydrophobicContact CZ-CB 4.47Å; F21-V64 HydrophobicContact CZ-CG1 4.16Å; F21-A71 HydrophobicContact CE2-CB 4.43Å; F21-A71 HydrophobicContact CZ-CB 4.06Å
22	T	94.3	Very high	93	Very high	55 Å²	55	57.9 Å²	57.9	34%	0.337	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-75.6	-7	-180	56	0	0	0	0	114.8	T20 S46 K66	T20-T22 PolarHBondContact O-N 2.98Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T22-S46 WeakPolarHBondContact O-CB 3.43Å; T22-K66 HydrophobicContact CG2-CD 4.32Å
23	S	94.1	Very high	92.9	Very high	78 Å²	78	61 Å²	61	55%	0.545	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-86.6	-10.4	-178.7	-63.5	0	0	0	0	113.9	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.21Å; T20-S23 VanDerWaalsContact CG2-OG 3.3Å; T20-S23 WeakPolarHBondContact CG2-OG 3.12Å; T20-S23 WeakPolarHBondContact O-CB 3.49Å; T20-S23 PolarHBondContact O-N 3.16Å; F21-S23 VanDerWaalsContact C-N 3.25Å; F21-S23 PolarHBondContact O-N 3.36Å
24	Y	92.9	Very high	92.6	Very high	89 Å²	89	61.4 Å²	61.4	35%	0.349	36%	0.36	S	S	.	.	S	Bend	trans	-130.8	147.8	-173.7	-62	-77.7	0	0	0	111.8	Y19 P45 R90 G91	Y19-Y24 AromaticContact CD2-CD2 3.71Å; Y19-Y24 HydrophobicContact CD2-CD2 3.71Å; Y19-Y24 HydrophobicContact CD2-CE2 4.09Å; Y19-Y24 HydrophobicContact CE2-CD2 4.04Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; Y19-Y24 HydrophobicContact CG-CE2 4.47Å; Y24-P45 WeakPolarHBondContact O-CD 3.25Å; Y24-P45 WeakPolarHBondContact O-CG 3.43Å; Y24-R90 HydrophobicContact CD1-CG 4.14Å; Y24-R90 HydrophobicContact CD2-CG 4.2Å; Y24-R90 HydrophobicContact CG-CG 3.71Å; Y24-R90 PolarHBondContact OH-NH1 3.47Å; Y24-G91 WeakPolarHBondContact CD1-O 3.41Å
25	Y	95.1	Very high	92.4	Very high	101 Å²	101	65.6 Å²	65.6	40%	0.396	38%	0.38	S	S	.	.			trans	-69.1	144.4	167.5	-74.8	-101.2	0	0	0	109.8	E42 N44 G91	Y25-E42 HydrophobicContact CD1-CG 4.18Å; Y25-N44 HydrophobicContact CD1-CB 3.9Å; Y25-N44 HydrophobicContact CE1-CB 3.56Å; Y25-N44 PolarHBondContact OH-ND2 2.96Å; Y25-G91 PolarHBondContact O-N 2.71Å
26	M	95.9	Very high	92.2	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.015	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.7	170.5	-176.8	54.9	62.2	0	0	109.3	D16 F21 E42 I43 A71 C88 T89	D16-M26 WeakPolarHBondContact OD2-CE 2.94Å; F21-M26 HydrophobicContact CE2-CE 4.32Å; M26-E42 CarbonylContact O-C 3.42Å; M26-E42 WeakPolarHBondContact O-CA 2.87Å; M26-I43 HydrophobicContact CB-CG2 3.91Å; M26-I43 PolarHBondContact N-O 2.89Å; M26-I43 PolarHBondContact O-N 3.43Å; M26-A71 HydrophobicContact CB-CB 4.19Å; M26-A71 HydrophobicContact CG-CB 3.68Å; M26-C88 HydrophobicContact SD-CB 3.74Å; M26-T89 VanDerWaalsContact SD-O 3.39Å
27	Y	95.8	Very high	92.4	Very high	64 Å²	64	65 Å²	65	25%	0.251	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	140.8	179.9	-70.3	-80.6	0	0	0	110.9	W39 E42 C88 T89	Y27-W39 AromaticContact CD1-CD1 3.91Å; Y27-W39 AromaticContact CD1-NE1 3.41Å; Y27-W39 AromaticContact CE1-NE1 3.98Å; Y27-E42 HydrophobicContact CD1-CB 3.74Å; Y27-E42 HydrophobicContact CE1-CB 3.72Å; Y27-E42 HydrophobicContact CE1-CG 4.41Å; Y27-E42 WeakPolarHBondContact CE1-OE2 3.48Å; Y27-E42 HydrophobicContact CG-CB 4.46Å; Y27-E42 PolarHBondContact OH-OE2 2.84Å; Y27-C88 CarbonylContact O-C 3.52Å; Y27-C88 WeakPolarHBondContact O-CA 3.36Å; Y27-T89 WeakPolarHBondContact CB-O 3.25Å; Y27-T89 WeakPolarHBondContact CB-OG1 3.45Å; Y27-T89 PolarHBondContact N-O 2.95Å; Y27-T89 PolarHBondContact O-N 2.63Å
28	W	95.7	Very high	92.6	Very high	6 Å²	6	62.8 Å²	62.8	2%	0.023	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.3	171.9	-67.5	90.9	0	0	0	109.9	L12 C14 R40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.1Å; L12-W28 HydrophobicContact CB-CZ3 3.9Å; L12-W28 HydrophobicContact CD1-CZ3 4.48Å; C14-W28 HydrophobicContact CB-CH2 3.81Å; C14-W28 HydrophobicContact CB-CZ2 4.05Å; W28-R40 HydrophobicContact CB-CB 4.38Å; W28-R40 WeakPolarHBondContact O-CB 3.04Å; W28-R40 PolarHBondContact O-N 2.61Å; W28-G41 PolarHBondContact N-O 3.32Å; W28-G41 PolarHBondContact O-N 2.83Å; W28-L62 HydrophobicContact CG-CD2 4.11Å; W28-A71 HydrophobicContact CZ2-CB 4.25Å; W28-M73 HydrophobicContact CB-CE 4.24Å; W28-M73 HydrophobicContact CB-SD 3.91Å; W28-M73 HydrophobicContact CD2-CB 3.73Å; W28-M73 HydrophobicContact CD2-CE 3.95Å; W28-M73 HydrophobicContact CD2-CG 4.47Å; W28-M73 HydrophobicContact CD2-SD 4.01Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.46Å; W28-M73 VanDerWaalsContact CE3-CE 3.46Å; W28-M73 HydrophobicContact CE3-SD 4.15Å; W28-M73 HydrophobicContact CG-CB 4.36Å; W28-M73 HydrophobicContact CG-CE 4.31Å; W28-M73 HydrophobicContact CG-SD 3.93Å; W28-M73 HydrophobicContact CH2-CB 3.91Å; W28-M73 HydrophobicContact CZ2-CB 3.78Å; W28-M73 HydrophobicContact CZ3-CB 3.97Å; W28-M73 HydrophobicContact CZ3-CE 4.09Å; W28-Y87 WeakPolarHBondContact CA-O 3.11Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.13Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ3-CB 4.07Å
29	V	95.1	Very high	92.9	Very high	20 Å²	20	62.5 Å²	62.5	12%	0.121	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	141.6	-175.5	-176.2	0	0	0	0	108.9	L37 E38 Y86 Y87	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.94Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; V29-E38 WeakPolarHBondContact CA-O 3.39Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.41Å; V29-Y87 PolarHBondContact N-O 2.61Å; V29-Y87 PolarHBondContact O-N 3.46Å
30	K	93.1	Very high	93.3	Very high	3 Å²	3	59.9 Å²	59.9	1%	0.013	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139.7	173.8	-167	-178.3	81.9	-164.4	0	110.2	E38 R40 E81 A84 V85 Y86	K30-E38 WeakPolarHBondContact CE-OE2 3.42Å; K30-E38 PolarHBondContact N-O 2.01Å; K30-E38 IonicContact NZ-OE2 3.92Å; K30-E38 PolarHBondContact O-N 2.91Å; K30-R40 HydrophobicContact CB-CG 3.95Å; K30-E81 IonicContact NZ-OE1 2.83Å; K30-E81 PolarHBondContact NZ-OE1 3.44Å; K30-E81 IonicContact NZ-OE2 3.32Å; K30-A84 HydrophobicContact CD-CB 3.72Å; K30-A84 HydrophobicContact CG-CB 3.73Å; K30-V85 CarbonylContact C-O 3.58Å; K30-V85 WeakPolarHBondContact CA-O 3.27Å; K30-Y86 HydrophobicContact CB-CD1 4.14Å; K30-Y86 HydrophobicContact CB-CE1 4.15Å; K30-Y86 HydrophobicContact CD-CD1 4.31Å; K30-Y86 HydrophobicContact CD-CE1 3.58Å; K30-Y86 HydrophobicContact CD-CE2 4.24Å; K30-Y86 HydrophobicContact CG-CD1 3.98Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å; K30-Y86 HydrophobicContact CG-CE2 4.34Å; K30-Y86 HydrophobicContact CG-CG 4.41Å
31	Q	93.7	Very high	93.4	Very high	68 Å²	68	55.9 Å²	55.9	32%	0.318	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.3	172.3	-169.1	178.5	30.2	0	0	109.7	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 3.96Å; Q31-A84 WeakPolarHBondContact O-CA 3.47Å; Q31-V85 PolarHBondContact N-O 3.44Å; Q31-V85 PolarHBondContact O-N 3.35Å; Q31-Y87 HydrophobicContact CB-CD2 4.4Å; Q31-Y87 HydrophobicContact CB-CE2 3.69Å; Q31-Y87 PolarHBondContact OE1-OH 3.44Å
32	R	91.7	Very high	93.6	Very high	59 Å²	59	57 Å²	57	22%	0.223	32%	0.316	C	S	.	.			trans	-103.9	150.1	167.9	-57	-170.6	-174.5	100.9	-3.9	110.1	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 3.2Å; R32-Q35 HydrophobicContact CB-CB 4.05Å; R32-Q35 HydrophobicContact CB-CG 4.11Å; R32-Q35 PolarHBondContact O-N 3.18Å; R32-E38 IonicContact CZ-OE2 3.45Å; R32-E38 IonicContact NH1-OE1 3.68Å; R32-E38 PolarHBondContact NH1-OE1 2.89Å; R32-E38 IonicContact NH1-OE2 3.81Å; R32-E38 PolarHBondContact NH1-OE2 2.85Å; R32-E81 IonicContact CZ-OE1 3.69Å; R32-E81 IonicContact CZ-OE2 3.45Å; R32-E81 IonicContact NE-OE1 3.66Å; R32-E81 IonicContact NE-OE2 2.69Å; R32-E81 PolarHBondContact NE-OE2 3.1Å; R32-E81 IonicContact NH2-OE1 3.98Å; R32-E81 PolarHBondContact NH2-OE1 3.24Å; R32-E81 IonicContact NH2-OE2 2.61Å; R32-E81 PolarHBondContact NH2-OE2 3.42Å; R32-A84 HydrophobicContact CG-CB 4.37Å
33	P	91.1	Very high	93.8	Very high	106 Å²	106	54.6 Å²	54.6	69%	0.688	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	127.3	171.7	-25.8	34.3	0	0	0	111	Q35 F83	P33-Q35 PolarHBondContact O-N 3.38Å; P33-F83 WeakPolarHBondContact CD-O 3.3Å
34	G	91	Very high	93.9	Very high	92 Å²	92	51.6 Å²	51.6	95%	0.948	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	3.5	-179.3	0	0	0	0	0	115.9	R32	R32-G34 PolarHBondContact O-N 3.2Å
35	Q	90.2	Very high	94	Very high	96 Å²	96	47.4 Å²	47.4	45%	0.449	26%	0.262	S	S	.	.	S	Bend	trans	-114.9	159.4	173.5	-57.4	-176.3	12.6	0	0	111.1	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.05Å; R32-Q35 HydrophobicContact CB-CG 4.11Å; R32-Q35 PolarHBondContact O-N 3.18Å; P33-Q35 PolarHBondContact O-N 3.38Å
36	G	90.8	Very high	94	Very high	54 Å²	54	45 Å²	45	56%	0.557	26%	0.26	S	S	*	.			trans	-67.9	175.4	173.8	0	0	0	0	0	113.3
37	L	92.7	Very high	94	Very high	117 Å²	117	50.4 Å²	50.4	61%	0.613	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	128.6	171.3	-65.9	176.8	0	0	0	110.1	V29 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.94Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 3.96Å; L37-Y87 HydrophobicContact CD2-CD2 4.43Å; L37-Y87 HydrophobicContact CD2-CE2 4.36Å
38	E	92.9	Very high	93.9	Very high	56 Å²	56	49 Å²	49	26%	0.262	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.7	177.4	-66	176.4	89.9	0	0	109.9	V29 K30 R32 R40	V29-E38 WeakPolarHBondContact CA-O 3.39Å; K30-E38 WeakPolarHBondContact CE-OE2 3.42Å; K30-E38 PolarHBondContact N-O 2.01Å; K30-E38 IonicContact NZ-OE2 3.92Å; K30-E38 PolarHBondContact O-N 2.91Å; R32-E38 IonicContact CZ-OE2 3.45Å; R32-E38 IonicContact NH1-OE1 3.68Å; R32-E38 PolarHBondContact NH1-OE1 2.89Å; R32-E38 IonicContact NH1-OE2 3.81Å; R32-E38 PolarHBondContact NH1-OE2 2.85Å; E38-R40 IonicContact OE1-CZ 2.81Å; E38-R40 IonicContact OE1-NH2 3.37Å; E38-R40 PolarHBondContact OE1-NH2 2.9Å; E38-R40 IonicContact OE2-CZ 2.7Å; E38-R40 IonicContact OE2-NH2 2.87Å; E38-R40 PolarHBondContact OE2-NH2 3.48Å
39	W	93.8	Very high	94	Very high	83 Å²	83	50.4 Å²	50.4	31%	0.314	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	134.5	172.2	179.3	78.4	0	0	0	111.4	Y27 G41 E42 N51 F52 N53	Y27-W39 AromaticContact CD1-CD1 3.91Å; Y27-W39 AromaticContact CD1-NE1 3.41Å; Y27-W39 AromaticContact CE1-NE1 3.98Å; W39-G41 VanDerWaalsContact CZ2-C 3.46Å; W39-G41 PolarHBondContact NE1-O 3.42Å; W39-G41 VanDerWaalsContact NE1-O 3.07Å; W39-E42 HydrophobicContact CZ2-CB 4.2Å; W39-E42 HydrophobicContact CZ2-CG 4.17Å; W39-N51 HydrophobicContact CH2-CB 4.47Å; W39-F52 VanDerWaalsContact CH2-C 3.44Å; W39-N53 HydrophobicContact CE3-CB 3.95Å; W39-N53 HydrophobicContact CZ3-CB 4.02Å; W39-N53 PolarHBondContact O-ND2 2.86Å
40	R	93.9	Very high	94	Very high	15 Å²	15	52.8 Å²	52.8	6%	0.057	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-40.4	-176.1	-65.3	-62.8	167.2	-161.6	-7.7	112.8	W28 K30 E38 N53 F56	W28-R40 HydrophobicContact CB-CB 4.38Å; W28-R40 WeakPolarHBondContact O-CB 3.04Å; W28-R40 PolarHBondContact O-N 2.61Å; K30-R40 HydrophobicContact CB-CG 3.95Å; E38-R40 IonicContact OE1-CZ 2.81Å; E38-R40 IonicContact OE1-NH2 3.37Å; E38-R40 PolarHBondContact OE1-NH2 2.9Å; E38-R40 IonicContact OE2-CZ 2.7Å; E38-R40 IonicContact OE2-NH2 2.87Å; E38-R40 PolarHBondContact OE2-NH2 3.48Å; R40-N53 PolarHBondContact O-N 2.83Å; R40-F56 HydrophobicContact CB-CD1 3.7Å; R40-F56 HydrophobicContact CB-CE1 3.62Å; R40-F56 HydrophobicContact CB-CG 4.31Å; R40-F56 HydrophobicContact CB-CZ 4.17Å; R40-F56 HydrophobicContact CG-CD1 4.38Å; R40-F56 HydrophobicContact CG-CE1 4.17Å; R40-F56 HydrophobicContact CG-CZ 4.21Å; R40-F56 WeakPolarHBondContact O-CD1 3.22Å
41	G	95.6	Very high	94.2	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.3	175.3	179.2	0	0	0	0	0	111.8	W28 W39 N51	W28-G41 PolarHBondContact N-O 3.32Å; W28-G41 PolarHBondContact O-N 2.83Å; W39-G41 VanDerWaalsContact CZ2-C 3.46Å; W39-G41 PolarHBondContact NE1-O 3.42Å; W39-G41 VanDerWaalsContact NE1-O 3.07Å; G41-N51 CarbonylContact C-O 3.59Å; G41-N51 WeakPolarHBondContact CA-O 3.42Å
42	E	96.6	Very high	94.2	Very high	32 Å²	32	54.6 Å²	54.6	15%	0.15	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.6	173.8	73.2	-166.5	165.1	0	0	109.5	Y25 M26 Y27 W39 T50 N51 L62	Y25-E42 HydrophobicContact CD1-CG 4.18Å; M26-E42 CarbonylContact O-C 3.42Å; M26-E42 WeakPolarHBondContact O-CA 2.87Å; Y27-E42 HydrophobicContact CD1-CB 3.74Å; Y27-E42 HydrophobicContact CE1-CB 3.72Å; Y27-E42 HydrophobicContact CE1-CG 4.41Å; Y27-E42 WeakPolarHBondContact CE1-OE2 3.48Å; Y27-E42 HydrophobicContact CG-CB 4.46Å; Y27-E42 PolarHBondContact OH-OE2 2.84Å; W39-E42 HydrophobicContact CZ2-CB 4.2Å; W39-E42 HydrophobicContact CZ2-CG 4.17Å; E42-T50 WeakPolarHBondContact O-CA 3.41Å; E42-N51 HydrophobicContact CG-CB 3.88Å; E42-N51 PolarHBondContact N-O 3.45Å; E42-N51 PolarHBondContact O-N 2.99Å; E42-N51 WeakPolarHBondContact OE1-CB 3.48Å; E42-N51 PolarHBondContact OE1-ND2 2.99Å; E42-L62 WeakPolarHBondContact O-CD1 3.36Å
43	I	97.1	Very high	94.2	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.015	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134	169.8	-173.7	160.3	0	0	0	109.2	M26 P45 G49 T50 L62 V64 A71	M26-I43 HydrophobicContact CB-CG2 3.91Å; M26-I43 PolarHBondContact N-O 2.89Å; M26-I43 PolarHBondContact O-N 3.43Å; I43-P45 VanDerWaalsContact O-CD 3.28Å; I43-P45 WeakPolarHBondContact O-CD 3.27Å; I43-G49 CarbonylContact C-O 3.58Å; I43-G49 WeakPolarHBondContact CA-O 3.34Å; I43-T50 HydrophobicContact CB-CG2 4.02Å; I43-T50 HydrophobicContact CD1-CG2 3.63Å; I43-T50 HydrophobicContact CG1-CG2 3.72Å; I43-L62 HydrophobicContact CB-CB 4.11Å; I43-L62 HydrophobicContact CB-CD1 4.22Å; I43-L62 HydrophobicContact CD1-CB 3.94Å; I43-V64 HydrophobicContact CD1-CG1 3.67Å; I43-V64 HydrophobicContact CG1-CG1 3.89Å; I43-V64 HydrophobicContact CG2-CG1 3.91Å; I43-A71 HydrophobicContact CG2-CB 4.41Å
44	N	96.7	Very high	94	Very high	16 Å²	16	57.9 Å²	57.9	9%	0.086	35%	0.347	C	S	.	.			trans	-85.6	110.2	170.5	-174.8	-27.5	0	0	0	108.7	Y25 S46 N47 G48 G49	Y25-N44 HydrophobicContact CD1-CB 3.9Å; Y25-N44 HydrophobicContact CE1-CB 3.56Å; Y25-N44 PolarHBondContact OH-ND2 2.96Å; N44-S46 VanDerWaalsContact CG-OG 3.3Å; N44-S46 PolarHBondContact ND2-OG 3.43Å; N44-S46 PolarHBondContact O-N 2.79Å; N44-S46 VanDerWaalsContact OD1-CB 3.29Å; N44-S46 WeakPolarHBondContact OD1-CB 2.81Å; N44-S46 PolarHBondContact OD1-N 3.5Å; N44-S46 PolarHBondContact OD1-OG 3.1Å; N44-N47 WeakPolarHBondContact CB-OD1 3.31Å; N44-N47 PolarHBondContact O-N 2.82Å; N44-G48 VanDerWaalsContact O-CA 3.25Å; N44-G48 WeakPolarHBondContact O-CA 3.24Å; N44-G48 PolarHBondContact O-N 3.07Å; N44-G49 PolarHBondContact N-O 3.25Å
45	P	95.8	Very high	93.7	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.4	-178	-16.3	32.2	0	0	0	113.6	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.82Å; F21-P45 HydrophobicContact CD1-CG 4.47Å; F21-P45 HydrophobicContact CD2-CG 4.44Å; F21-P45 HydrophobicContact CE1-CB 3.52Å; F21-P45 HydrophobicContact CE1-CG 4.11Å; F21-P45 HydrophobicContact CE2-CB 4.36Å; F21-P45 HydrophobicContact CE2-CG 4.06Å; F21-P45 HydrophobicContact CG-CB 4.38Å; F21-P45 HydrophobicContact CZ-CB 3.81Å; F21-P45 HydrophobicContact CZ-CG 3.88Å; Y24-P45 WeakPolarHBondContact O-CD 3.25Å; Y24-P45 WeakPolarHBondContact O-CG 3.43Å; I43-P45 VanDerWaalsContact O-CD 3.28Å; I43-P45 WeakPolarHBondContact O-CD 3.27Å; P45-V64 HydrophobicContact CB-CG1 4.02Å; P45-V64 HydrophobicContact CG-CG1 4.31Å; P45-K66 WeakPolarHBondContact O-CE 3.46Å
46	S	95.4	Very high	93.5	Very high	51 Å²	51	57.4 Å²	57.4	36%	0.357	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-44.1	177.3	71.7	0	0	0	0	112.7	T22 N44 K66	T22-S46 WeakPolarHBondContact O-CB 3.43Å; N44-S46 VanDerWaalsContact CG-OG 3.3Å; N44-S46 PolarHBondContact ND2-OG 3.43Å; N44-S46 PolarHBondContact O-N 2.79Å; N44-S46 VanDerWaalsContact OD1-CB 3.29Å; N44-S46 WeakPolarHBondContact OD1-CB 2.81Å; N44-S46 PolarHBondContact OD1-N 3.5Å; N44-S46 PolarHBondContact OD1-OG 3.1Å; S46-K66 PolarHBondContact O-NZ 3.05Å
47	N	95.3	Very high	93.4	Very high	116 Å²	116	61.7 Å²	61.7	62%	0.62	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	-4.5	-172.5	63.9	19.4	0	0	0	113.9	N44 G49	N44-N47 WeakPolarHBondContact CB-OD1 3.31Å; N44-N47 PolarHBondContact O-N 2.82Å; N47-G49 VanDerWaalsContact C-N 3.25Å; N47-G49 PolarHBondContact O-N 2.8Å; N47-G49 PolarHBondContact OD1-N 3Å
48	G	94.6	Very high	93.2	Very high	34 Å²	34	61.4 Å²	61.4	35%	0.351	33%	0.328	S	S	.	.			trans	76.2	7.7	-179.1	0	0	0	0	0	114.3	N44 T50	N44-G48 VanDerWaalsContact O-CA 3.25Å; N44-G48 WeakPolarHBondContact O-CA 3.24Å; N44-G48 PolarHBondContact O-N 3.07Å; G48-T50 PolarHBondContact O-N 3.04Å
49	G	96.3	Very high	93.1	Very high	37 Å²	37	63.4 Å²	63.4	38%	0.381	34%	0.336	S	S	.	.			trans	-60.6	131.4	176.4	0	0	0	0	0	110.8	I43 N44 N47	I43-G49 CarbonylContact C-O 3.58Å; I43-G49 WeakPolarHBondContact CA-O 3.34Å; N44-G49 PolarHBondContact N-O 3.25Å; N47-G49 VanDerWaalsContact C-N 3.25Å; N47-G49 PolarHBondContact O-N 2.8Å; N47-G49 PolarHBondContact OD1-N 3Å
50	T	96.5	Very high	93	Very high	69 Å²	69	59.9 Å²	59.9	42%	0.423	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.3	-178.3	54.2	0	0	0	0	111	E42 I43 G48 L62	E42-T50 WeakPolarHBondContact O-CA 3.41Å; I43-T50 HydrophobicContact CB-CG2 4.02Å; I43-T50 HydrophobicContact CD1-CG2 3.63Å; I43-T50 HydrophobicContact CG1-CG2 3.72Å; G48-T50 PolarHBondContact O-N 3.04Å; T50-L62 HydrophobicContact CG2-CB 3.85Å
51	N	95.7	Very high	93	Very high	84 Å²	84	63 Å²	63	45%	0.449	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.9	169.6	-169.7	17	0	0	0	109.2	W39 G41 E42	W39-N51 HydrophobicContact CH2-CB 4.47Å; G41-N51 CarbonylContact C-O 3.59Å; G41-N51 WeakPolarHBondContact CA-O 3.42Å; E42-N51 HydrophobicContact CG-CB 3.88Å; E42-N51 PolarHBondContact N-O 3.45Å; E42-N51 PolarHBondContact O-N 2.99Å; E42-N51 WeakPolarHBondContact OE1-CB 3.48Å; E42-N51 PolarHBondContact OE1-ND2 2.99Å
52	F	95.1	Very high	93.1	Very high	25 Å²	25	63.4 Å²	63.4	11%	0.11	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	153.9	-172.3	-68.5	-89.3	0	0	0	110.9	W39 E54 F56 K57 A60 L62	W39-F52 VanDerWaalsContact CH2-C 3.44Å; F52-E54 PolarHBondContact O-N 2.79Å; F52-F56 HydrophobicContact CD1-CD1 4.18Å; F52-K57 HydrophobicContact CB-CB 3.78Å; F52-K57 HydrophobicContact CB-CG 4.09Å; F52-K57 HydrophobicContact CD2-CG 4.12Å; F52-K57 HydrophobicContact CG-CB 4.3Å; F52-K57 HydrophobicContact CG-CG 4.3Å; F52-A60 HydrophobicContact CE1-CB 4.17Å; F52-L62 HydrophobicContact CD1-CD1 4.48Å; F52-L62 HydrophobicContact CE1-CD1 3.82Å; F52-L62 HydrophobicContact CE1-CD2 4.33Å; F52-L62 HydrophobicContact CE1-CG 3.57Å; F52-L62 HydrophobicContact CZ-CB 4.16Å; F52-L62 HydrophobicContact CZ-CD1 3.95Å; F52-L62 HydrophobicContact CZ-CG 3.59Å
53	N	91.4	Very high	93.1	Very high	51 Å²	51	64.9 Å²	64.9	27%	0.273	36%	0.359	S	S	.	.			trans	-61	132.9	159.9	-177	-49.2	0	0	0	108.4	W39 R40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.95Å; W39-N53 HydrophobicContact CZ3-CB 4.02Å; W39-N53 PolarHBondContact O-ND2 2.86Å; R40-N53 PolarHBondContact O-N 2.83Å; N53-K55 PolarHBondContact O-N 2.91Å; N53-K55 VanDerWaalsContact O-N 3.1Å; N53-K55 PolarHBondContact OD1-N 2.62Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å; N53-F56 HydrophobicContact CB-CB 4.07Å; N53-F56 CarbonylContact O-C 3.53Å; N53-F56 WeakPolarHBondContact O-CA 3.47Å; N53-F56 WeakPolarHBondContact O-CB 3.31Å; N53-F56 PolarHBondContact O-N 2.93Å; N53-K57 PolarHBondContact O-N 3.11Å
54	E	87.8	Confident	93	Very high	184 Å²	184	66.5 Å²	66.5	86%	0.86	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-39.8	-176	-64.9	-174.7	157.4	0	0	113	F52 F56	F52-E54 PolarHBondContact O-N 2.79Å; E54-F56 PolarHBondContact O-N 2.82Å
55	K	83.9	Confident	93	Very high	172 Å²	172	68.3 Å²	68.3	75%	0.748	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.3	179.7	-63	-178.4	-179.4	177.5	0	113.6	N53	N53-K55 PolarHBondContact O-N 2.91Å; N53-K55 VanDerWaalsContact O-N 3.1Å; N53-K55 PolarHBondContact OD1-N 2.62Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å
56	F	86	Confident	92.9	Very high	5 Å²	5	73.7 Å²	73.7	2%	0.022	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-16.8	-172.3	-161.6	-109.4	0	0	0	113.6	R40 F52 N53 E54 S58 K59 A60 M73 L75 T79	R40-F56 HydrophobicContact CB-CD1 3.7Å; R40-F56 HydrophobicContact CB-CE1 3.62Å; R40-F56 HydrophobicContact CB-CG 4.31Å; R40-F56 HydrophobicContact CB-CZ 4.17Å; R40-F56 HydrophobicContact CG-CD1 4.38Å; R40-F56 HydrophobicContact CG-CE1 4.17Å; R40-F56 HydrophobicContact CG-CZ 4.21Å; R40-F56 WeakPolarHBondContact O-CD1 3.22Å; F52-F56 HydrophobicContact CD1-CD1 4.18Å; N53-F56 HydrophobicContact CB-CB 4.07Å; N53-F56 CarbonylContact O-C 3.53Å; N53-F56 WeakPolarHBondContact O-CA 3.47Å; N53-F56 WeakPolarHBondContact O-CB 3.31Å; N53-F56 PolarHBondContact O-N 2.93Å; E54-F56 PolarHBondContact O-N 2.82Å; F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 2.83Å; F56-S58 VanDerWaalsContact O-N 3.16Å; F56-K59 HydrophobicContact CD2-CB 4.21Å; F56-K59 HydrophobicContact CE2-CB 4.44Å; F56-K59 WeakPolarHBondContact O-CB 2.89Å; F56-K59 PolarHBondContact O-N 2.99Å; F56-A60 HydrophobicContact CD1-CB 3.88Å; F56-A60 HydrophobicContact CE1-CB 3.25Å; F56-A60 HydrophobicContact CZ-CB 3.73Å; F56-A60 PolarHBondContact O-N 3.15Å; F56-M73 HydrophobicContact CE1-SD 3.88Å; F56-M73 HydrophobicContact CZ-SD 4.13Å; F56-L75 HydrophobicContact CE1-CD2 4.23Å; F56-L75 HydrophobicContact CE2-CD2 4.2Å; F56-L75 HydrophobicContact CZ-CD2 3.41Å; F56-L75 VanDerWaalsContact CZ-CD2 3.41Å; F56-T79 HydrophobicContact CD2-CG2 4.4Å; F56-T79 HydrophobicContact CE2-CG2 3.61Å; F56-T79 HydrophobicContact CZ-CG2 4.25Å
57	K	87.4	Confident	92.8	Very high	145 Å²	145	76.5 Å²	76.5	63%	0.63	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-36.4	-176.7	-171.5	174.7	-178.7	177	0	114.4	F52 N53 K59	F52-K57 HydrophobicContact CB-CB 3.78Å; F52-K57 HydrophobicContact CB-CG 4.09Å; F52-K57 HydrophobicContact CD2-CG 4.12Å; F52-K57 HydrophobicContact CG-CB 4.3Å; F52-K57 HydrophobicContact CG-CG 4.3Å; N53-K57 PolarHBondContact O-N 3.11Å; K57-K59 VanDerWaalsContact C-N 3.33Å
58	S	89	Confident	92.7	Very high	111 Å²	111	72.6 Å²	72.6	78%	0.776	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-3.2	178.8	58.9	0	0	0	0	114.3	F56	F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 2.83Å; F56-S58 VanDerWaalsContact O-N 3.16Å
59	K	91.1	Very high	92.8	Very high	97 Å²	97	72.8 Å²	72.8	42%	0.422	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-8.7	-169.2	-60.3	-167.1	-179.5	-174.7	0	113.6	F56 K57 S76 T79	F56-K59 HydrophobicContact CD2-CB 4.21Å; F56-K59 HydrophobicContact CE2-CB 4.44Å; F56-K59 WeakPolarHBondContact O-CB 2.89Å; F56-K59 PolarHBondContact O-N 2.99Å; K57-K59 VanDerWaalsContact C-N 3.33Å; K59-S76 PolarHBondContact O-N 2.97Å; K59-S76 PolarHBondContact O-OG 2.78Å; K59-T79 HydrophobicContact CB-CG2 3.63Å; K59-T79 WeakPolarHBondContact CB-OG1 3.47Å; K59-T79 HydrophobicContact CD-CG2 4.19Å
60	A	92.1	Very high	92.8	Very high	9 Å²	9	71.4 Å²	71.4	7%	0.074	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	151.1	-178.9	0	0	0	0	0	112.4	F52 F56 M73 Q74 L75	F52-A60 HydrophobicContact CE1-CB 4.17Å; F56-A60 HydrophobicContact CD1-CB 3.88Å; F56-A60 HydrophobicContact CE1-CB 3.25Å; F56-A60 HydrophobicContact CZ-CB 3.73Å; F56-A60 PolarHBondContact O-N 3.15Å; A60-M73 HydrophobicContact CB-CG 4.29Å; A60-Q74 CarbonylContact C-O 3.56Å; A60-Q74 WeakPolarHBondContact CA-O 3.46Å; A60-L75 HydrophobicContact CB-CD2 3.94Å
61	T	94.6	Very high	92.8	Very high	80 Å²	80	68.1 Å²	68.1	49%	0.491	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.2	169	-56.1	0	0	0	0	108.3	T63 Q74	T61-T63 HydrophobicContact CG2-CG2 4.17Å; T61-Q74 PolarHBondContact N-O 2.79Å; T61-Q74 PolarHBondContact O-N 3.31Å
62	L	95.9	Very high	92.8	Very high	11 Å²	11	66.5 Å²	66.5	6%	0.058	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.4	173.6	-58.5	-178.6	0	0	0	109.7	W28 E42 I43 T50 F52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.11Å; E42-L62 WeakPolarHBondContact O-CD1 3.36Å; I43-L62 HydrophobicContact CB-CB 4.11Å; I43-L62 HydrophobicContact CB-CD1 4.22Å; I43-L62 HydrophobicContact CD1-CB 3.94Å; T50-L62 HydrophobicContact CG2-CB 3.85Å; F52-L62 HydrophobicContact CD1-CD1 4.48Å; F52-L62 HydrophobicContact CE1-CD1 3.82Å; F52-L62 HydrophobicContact CE1-CD2 4.33Å; F52-L62 HydrophobicContact CE1-CG 3.57Å; F52-L62 HydrophobicContact CZ-CB 4.16Å; F52-L62 HydrophobicContact CZ-CD1 3.95Å; F52-L62 HydrophobicContact CZ-CG 3.59Å; L62-Y72 WeakPolarHBondContact CA-O 3.35Å; L62-M73 HydrophobicContact CD2-CB 3.56Å; L62-M73 HydrophobicContact CD2-CG 3.61Å; L62-M73 HydrophobicContact CD2-SD 4.02Å
63	T	96.8	Very high	92.8	Very high	63 Å²	63	65.3 Å²	65.3	39%	0.387	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	161.6	175.6	60.9	0	0	0	0	110.8	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.17Å; T63-Y72 PolarHBondContact N-O 3.22Å; T63-Y72 PolarHBondContact O-N 3.02Å
64	V	96.6	Very high	93	Very high	36 Å²	36	66.9 Å²	66.9	22%	0.218	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143.6	174.1	-66.1	0	0	0	0	110.7	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.26Å; F21-V64 HydrophobicContact CE1-CG1 4.36Å; F21-V64 HydrophobicContact CZ-CB 4.47Å; F21-V64 HydrophobicContact CZ-CG1 4.16Å; I43-V64 HydrophobicContact CD1-CG1 3.67Å; I43-V64 HydrophobicContact CG1-CG1 3.89Å; I43-V64 HydrophobicContact CG2-CG1 3.91Å; P45-V64 HydrophobicContact CB-CG1 4.02Å; P45-V64 HydrophobicContact CG-CG1 4.31Å; V64-A71 HydrophobicContact CG1-CB 4.23Å
65	D	95.4	Very high	93.1	Very high	54 Å²	54	58.2 Å²	58.2	29%	0.289	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	106	162.9	176	5.4	0	0	0	108.3	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.66Å; D65-S67 WeakPolarHBondContact OD1-CB 3.28Å; D65-S67 PolarHBondContact OD1-N 3.03Å; D65-S67 PolarHBondContact OD1-OG 2.89Å; D65-S67 PolarHBondContact OD2-OG 2.92Å; D65-S68 WeakPolarHBondContact CB-OG 3.2Å; D65-S68 PolarHBondContact OD1-N 2.84Å; D65-S68 WeakPolarHBondContact OD2-CB 3.2Å; D65-S68 PolarHBondContact OD2-OG 2.87Å; D65-S69 PolarHBondContact O-N 3.33Å; D65-S69 VanDerWaalsContact O-N 3.09Å; D65-T70 PolarHBondContact N-O 3.16Å; D65-T70 PolarHBondContact O-N 3.44Å; D65-Y72 HydrophobicContact CB-CE2 3.92Å
66	K	93.5	Very high	93.4	Very high	114 Å²	114	52.3 Å²	52.3	50%	0.496	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-29.8	-178.6	-55.6	-176	-166.9	-172.6	0	112	T22 P45 S46 S68 S69	T22-K66 HydrophobicContact CG2-CD 4.32Å; P45-K66 WeakPolarHBondContact O-CE 3.46Å; S46-K66 PolarHBondContact O-NZ 3.05Å; K66-S68 VanDerWaalsContact C-N 3.35Å; K66-S69 PolarHBondContact O-N 2.99Å
67	S	92.9	Very high	93.2	Very high	110 Å²	110	55.3 Å²	55.3	77%	0.769	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-37.7	-177.2	72.6	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.66Å; D65-S67 WeakPolarHBondContact OD1-CB 3.28Å; D65-S67 PolarHBondContact OD1-N 3.03Å; D65-S67 PolarHBondContact OD1-OG 2.89Å; D65-S67 PolarHBondContact OD2-OG 2.92Å
68	S	94.8	Very high	92.8	Very high	33 Å²	33	52 Å²	52	23%	0.231	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	2.9	177.5	65.6	0	0	0	0	113.8	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.2Å; D65-S68 PolarHBondContact OD1-N 2.84Å; D65-S68 WeakPolarHBondContact OD2-CB 3.2Å; D65-S68 PolarHBondContact OD2-OG 2.87Å; K66-S68 VanDerWaalsContact C-N 3.35Å; S68-T70 PolarHBondContact O-N 2.96Å; S68-T70 PolarHBondContact O-OG1 2.9Å; S68-T70 WeakPolarHBondContact OG-CB 3.39Å; S68-T70 PolarHBondContact OG-OG1 3.16Å
69	S	95	Very high	92.5	Very high	39 Å²	39	47.4 Å²	47.4	27%	0.273	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	45.2	-174	-61.7	0	0	0	0	112.6	D16 D65 K66	D16-S69 PolarHBondContact N-O 2.81Å; D65-S69 PolarHBondContact O-N 3.33Å; D65-S69 VanDerWaalsContact O-N 3.09Å; K66-S69 PolarHBondContact O-N 2.99Å
70	T	96.7	Very high	92.2	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.043	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.5	-174.3	-55	0	0	0	0	111	C14 K15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.57Å; C14-T70 VanDerWaalsContact O-CA 3.31Å; C14-T70 WeakPolarHBondContact O-CA 3.48Å; C14-T70 WeakPolarHBondContact O-CG2 3.43Å; K15-T70 HydrophobicContact CB-CG2 4.33Å; D65-T70 PolarHBondContact N-O 3.16Å; D65-T70 PolarHBondContact O-N 3.44Å; S68-T70 PolarHBondContact O-N 2.96Å; S68-T70 PolarHBondContact O-OG1 2.9Å; S68-T70 WeakPolarHBondContact OG-CB 3.39Å; S68-T70 PolarHBondContact OG-OG1 3.16Å; T70-Y72 HydrophobicContact CG2-CD1 4.25Å; T70-Y72 HydrophobicContact CG2-CD2 4.37Å; T70-Y72 HydrophobicContact CG2-CE1 3.64Å; T70-Y72 HydrophobicContact CG2-CE2 3.74Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.46Å
71	A	96.9	Very high	91.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	148.9	167.7	0	0	0	0	0	110.3	S13 C14 F21 M26 W28 I43 V64	S13-A71 CarbonylContact C-O 3.52Å; S13-A71 WeakPolarHBondContact CA-O 3.38Å; C14-A71 HydrophobicContact CB-CB 4.44Å; C14-A71 PolarHBondContact N-O 2.7Å; C14-A71 PolarHBondContact O-N 2.87Å; F21-A71 HydrophobicContact CE2-CB 4.43Å; F21-A71 HydrophobicContact CZ-CB 4.06Å; M26-A71 HydrophobicContact CB-CB 4.19Å; M26-A71 HydrophobicContact CG-CB 3.68Å; W28-A71 HydrophobicContact CZ2-CB 4.25Å; I43-A71 HydrophobicContact CG2-CB 4.41Å; V64-A71 HydrophobicContact CG1-CB 4.23Å
72	Y	96.6	Very high	91	Very high	50 Å²	50	52.3 Å²	52.3	20%	0.196	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145	178.8	-57.4	-85.4	0	0	0	111.3	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 HydrophobicContact CG-CD1 4.36Å; L12-Y72 VanDerWaalsContact O-CA 3.24Å; L12-Y72 WeakPolarHBondContact O-CA 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.46Å; L62-Y72 WeakPolarHBondContact CA-O 3.35Å; T63-Y72 PolarHBondContact N-O 3.22Å; T63-Y72 PolarHBondContact O-N 3.02Å; D65-Y72 HydrophobicContact CB-CE2 3.92Å; T70-Y72 HydrophobicContact CG2-CD1 4.25Å; T70-Y72 HydrophobicContact CG2-CD2 4.37Å; T70-Y72 HydrophobicContact CG2-CE1 3.64Å; T70-Y72 HydrophobicContact CG2-CE2 3.74Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.46Å
73	M	95.2	Very high	90.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	113.9	167.5	177.2	165.4	66.3	0	0	108.8	L12 W28 F56 A60 L62 L75 Y86	L12-M73 HydrophobicContact CB-CB 4.47Å; L12-M73 HydrophobicContact CD1-CE 3.56Å; L12-M73 PolarHBondContact N-O 3.37Å; L12-M73 PolarHBondContact O-N 3.09Å; W28-M73 HydrophobicContact CB-CE 4.24Å; W28-M73 HydrophobicContact CB-SD 3.91Å; W28-M73 HydrophobicContact CD2-CB 3.73Å; W28-M73 HydrophobicContact CD2-CE 3.95Å; W28-M73 HydrophobicContact CD2-CG 4.47Å; W28-M73 HydrophobicContact CD2-SD 4.01Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.46Å; W28-M73 VanDerWaalsContact CE3-CE 3.46Å; W28-M73 HydrophobicContact CE3-SD 4.15Å; W28-M73 HydrophobicContact CG-CB 4.36Å; W28-M73 HydrophobicContact CG-CE 4.31Å; W28-M73 HydrophobicContact CG-SD 3.93Å; W28-M73 HydrophobicContact CH2-CB 3.91Å; W28-M73 HydrophobicContact CZ2-CB 3.78Å; W28-M73 HydrophobicContact CZ3-CB 3.97Å; W28-M73 HydrophobicContact CZ3-CE 4.09Å; F56-M73 HydrophobicContact CE1-SD 3.88Å; F56-M73 HydrophobicContact CZ-SD 4.13Å; A60-M73 HydrophobicContact CB-CG 4.29Å; L62-M73 HydrophobicContact CD2-CB 3.56Å; L62-M73 HydrophobicContact CD2-CG 3.61Å; L62-M73 HydrophobicContact CD2-SD 4.02Å; M73-L75 HydrophobicContact CE-CD2 4.14Å; M73-L75 HydrophobicContact CG-CD2 3.83Å; M73-L75 HydrophobicContact CG-CG 4.28Å; M73-L75 HydrophobicContact SD-CD2 3.92Å; M73-Y86 HydrophobicContact CE-CD1 3.51Å; M73-Y86 HydrophobicContact CE-CE1 4.1Å; M73-Y86 HydrophobicContact CE-CG 4.29Å
74	Q	94.2	Very high	90.1	Very high	85 Å²	85	57.2 Å²	57.2	40%	0.397	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113.6	173.8	-172	168.5	22.8	0	0	109.4	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 WeakPolarHBondContact O-CA 3.41Å; A60-Q74 CarbonylContact C-O 3.56Å; A60-Q74 WeakPolarHBondContact CA-O 3.46Å; T61-Q74 PolarHBondContact N-O 2.79Å; T61-Q74 PolarHBondContact O-N 3.31Å
75	L	91.7	Very high	89.9	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133.4	178.3	-59.2	174.9	0	0	0	109.7	S9 V10 L12 F56 A60 M73 T79 F80 Y86	S9-L75 VanDerWaalsContact CA-O 3.31Å; S9-L75 WeakPolarHBondContact CA-O 3.21Å; S9-L75 VanDerWaalsContact CB-O 3.27Å; S9-L75 WeakPolarHBondContact CB-O 3.42Å; V10-L75 PolarHBondContact N-O 2.8Å; V10-L75 VanDerWaalsContact N-O 3.15Å; V10-L75 PolarHBondContact O-N 2.69Å; L12-L75 HydrophobicContact CD1-CD1 4.09Å; F56-L75 HydrophobicContact CE1-CD2 4.23Å; F56-L75 HydrophobicContact CE2-CD2 4.2Å; F56-L75 HydrophobicContact CZ-CD2 3.41Å; F56-L75 VanDerWaalsContact CZ-CD2 3.41Å; A60-L75 HydrophobicContact CB-CD2 3.94Å; M73-L75 HydrophobicContact CE-CD2 4.14Å; M73-L75 HydrophobicContact CG-CD2 3.83Å; M73-L75 HydrophobicContact CG-CG 4.28Å; M73-L75 HydrophobicContact SD-CD2 3.92Å; L75-T79 HydrophobicContact CB-CG2 4.43Å; L75-T79 HydrophobicContact CD2-CG2 4.07Å; L75-F80 HydrophobicContact CD1-CB 4.2Å; L75-F80 HydrophobicContact CD1-CD2 3.79Å; L75-Y86 HydrophobicContact CD1-CE1 3.95Å; L75-Y86 HydrophobicContact CD1-CE2 4.41Å
76	S	88.5	Confident	89.8	Confident	49 Å²	49	57.8 Å²	57.8	34%	0.343	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-66.9	158.3	173.2	62.9	0	0	0	0	111.6	K59 G78 T79	K59-S76 PolarHBondContact O-N 2.97Å; K59-S76 PolarHBondContact O-OG 2.78Å; S76-G78 PolarHBondContact O-N 2.8Å; S76-T79 VanDerWaalsContact O-CB 3.25Å; S76-T79 WeakPolarHBondContact O-CB 3.46Å; S76-T79 PolarHBondContact O-N 3.31Å; S76-T79 PolarHBondContact OG-OG1 3.21Å
77	S	82.6	Confident	89.9	Confident	68 Å²	68	56.8 Å²	56.8	48%	0.476	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	129.6	176.4	-55.4	0	0	0	0	111.2	G7 T79	G7-S77 WeakPolarHBondContact O-CB 3.35Å; G7-S77 PolarHBondContact O-OG 2.85Å; S77-T79 VanDerWaalsContact C-N 3.28Å; S77-T79 PolarHBondContact O-N 2.9Å
78	G	78.6	Confident	89.9	Confident	76 Å²	76	53.8 Å²	53.8	78%	0.784	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-3.3	-177.2	0	0	0	0	0	115.2	S76	S76-G78 PolarHBondContact O-N 2.8Å
79	T	83.2	Confident	89.9	Confident	14 Å²	14	55.3 Å²	55.3	9%	0.086	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-29.2	172.8	-62.3	0	0	0	0	112.5	F56 K59 L75 S76 S77 E81 Y86	F56-T79 HydrophobicContact CD2-CG2 4.4Å; F56-T79 HydrophobicContact CE2-CG2 3.61Å; F56-T79 HydrophobicContact CZ-CG2 4.25Å; K59-T79 HydrophobicContact CB-CG2 3.63Å; K59-T79 WeakPolarHBondContact CB-OG1 3.47Å; K59-T79 HydrophobicContact CD-CG2 4.19Å; L75-T79 HydrophobicContact CB-CG2 4.43Å; L75-T79 HydrophobicContact CD2-CG2 4.07Å; S76-T79 VanDerWaalsContact O-CB 3.25Å; S76-T79 WeakPolarHBondContact O-CB 3.46Å; S76-T79 PolarHBondContact O-N 3.31Å; S76-T79 PolarHBondContact OG-OG1 3.21Å; S77-T79 VanDerWaalsContact C-N 3.28Å; S77-T79 PolarHBondContact O-N 2.9Å; T79-E81 PolarHBondContact O-N 3Å; T79-Y86 PolarHBondContact O-OH 2.78Å
80	F	84.2	Confident	89.7	Confident	70 Å²	70	59.4 Å²	59.4	31%	0.307	31%	0.313	S	S	.	.			trans	-68.2	128.1	176.1	-178.3	-104	0	0	0	110.1	V10 L75 Y86	V10-F80 HydrophobicContact CB-CB 4.29Å; V10-F80 HydrophobicContact CB-CD2 4.18Å; V10-F80 HydrophobicContact CB-CG 4.25Å; V10-F80 HydrophobicContact CG1-CD2 4.04Å; V10-F80 HydrophobicContact CG1-CE2 4.27Å; V10-F80 HydrophobicContact CG2-CB 3.87Å; V10-F80 HydrophobicContact CG2-CD1 4.13Å; V10-F80 HydrophobicContact CG2-CD2 4.14Å; V10-F80 HydrophobicContact CG2-CG 3.77Å; L75-F80 HydrophobicContact CD1-CB 4.2Å; L75-F80 HydrophobicContact CD1-CD2 3.79Å; F80-Y86 AromaticContact CD2-CE2 3.83Å; F80-Y86 HydrophobicContact CD2-CE2 3.83Å; F80-Y86 HydrophobicContact CE2-CD2 4.17Å; F80-Y86 AromaticContact CE2-CE2 3.82Å; F80-Y86 HydrophobicContact CE2-CE2 3.82Å
81	E	84.2	Confident	89.1	Confident	66 Å²	66	62.4 Å²	62.4	31%	0.308	35%	0.346	S	S	.	.			trans	-108.8	113.5	177.7	-67.9	179.9	-134	0	0	108.7	K30 R32 T79 F83 A84 Y86	K30-E81 IonicContact NZ-OE1 2.83Å; K30-E81 PolarHBondContact NZ-OE1 3.44Å; K30-E81 IonicContact NZ-OE2 3.32Å; R32-E81 IonicContact CZ-OE1 3.69Å; R32-E81 IonicContact CZ-OE2 3.45Å; R32-E81 IonicContact NE-OE1 3.66Å; R32-E81 IonicContact NE-OE2 2.69Å; R32-E81 PolarHBondContact NE-OE2 3.1Å; R32-E81 IonicContact NH2-OE1 3.98Å; R32-E81 PolarHBondContact NH2-OE1 3.24Å; R32-E81 IonicContact NH2-OE2 2.61Å; R32-E81 PolarHBondContact NH2-OE2 3.42Å; T79-E81 PolarHBondContact O-N 3Å; E81-F83 PolarHBondContact O-N 2.59Å; E81-F83 VanDerWaalsContact O-N 3.16Å; E81-A84 HydrophobicContact CB-CB 3.83Å; E81-A84 WeakPolarHBondContact O-CB 3.39Å; E81-A84 PolarHBondContact O-N 2.82Å; E81-Y86 PolarHBondContact N-OH 2.88Å
82	E	77	Confident	88.7	Confident	153 Å²	153	65.6 Å²	65.6	72%	0.715	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.4	-171.6	-169.8	176.6	152.2	0	0	113.6
83	F	85.2	Confident	88.3	Confident	165 Å²	165	66.4 Å²	66.4	72%	0.724	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	1.4	-179.9	-55.1	-65.7	0	0	0	113.9	P33 E81	P33-F83 WeakPolarHBondContact CD-O 3.3Å; E81-F83 PolarHBondContact O-N 2.59Å; E81-F83 VanDerWaalsContact O-N 3.16Å
84	A	90.2	Very high	87.9	Confident	11 Å²	11	70.1 Å²	70.1	9%	0.091	39%	0.393	C	S	.	.			trans	-94.8	144.1	178.2	0	0	0	0	0	111.1	K30 Q31 R32 E81 Y86	K30-A84 HydrophobicContact CD-CB 3.72Å; K30-A84 HydrophobicContact CG-CB 3.73Å; Q31-A84 WeakPolarHBondContact O-CA 3.47Å; R32-A84 HydrophobicContact CG-CB 4.37Å; E81-A84 HydrophobicContact CB-CB 3.83Å; E81-A84 WeakPolarHBondContact O-CB 3.39Å; E81-A84 PolarHBondContact O-N 2.82Å; A84-Y86 HydrophobicContact CB-CE2 4.07Å
85	V	91.9	Very high	87.6	Confident	70 Å²	70	69.2 Å²	69.2	42%	0.424	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.9	169.9	-172.8	0	0	0	0	108.5	K30 Q31 Y87	K30-V85 CarbonylContact C-O 3.58Å; K30-V85 WeakPolarHBondContact CA-O 3.27Å; Q31-V85 PolarHBondContact N-O 3.44Å; Q31-V85 PolarHBondContact O-N 3.35Å; V85-Y87 HydrophobicContact CB-CE2 3.94Å; V85-Y87 HydrophobicContact CG1-CD1 4.34Å; V85-Y87 HydrophobicContact CG1-CD2 4.34Å; V85-Y87 HydrophobicContact CG1-CE1 3.71Å; V85-Y87 HydrophobicContact CG1-CE2 3.71Å
86	Y	93.4	Very high	87.3	Confident	33 Å²	33	73.4 Å²	73.4	13%	0.129	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.8	176.1	-66.8	-98.1	0	0	0	109	L12 V29 K30 M73 L75 T79 F80 E81 A84	L12-Y86 HydrophobicContact CD1-CD1 4.06Å; L12-Y86 HydrophobicContact CD1-CD2 4.17Å; L12-Y86 HydrophobicContact CD1-CG 3.69Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.41Å; K30-Y86 HydrophobicContact CB-CD1 4.14Å; K30-Y86 HydrophobicContact CB-CE1 4.15Å; K30-Y86 HydrophobicContact CD-CD1 4.31Å; K30-Y86 HydrophobicContact CD-CE1 3.58Å; K30-Y86 HydrophobicContact CD-CE2 4.24Å; K30-Y86 HydrophobicContact CG-CD1 3.98Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å; K30-Y86 HydrophobicContact CG-CE2 4.34Å; K30-Y86 HydrophobicContact CG-CG 4.41Å; M73-Y86 HydrophobicContact CE-CD1 3.51Å; M73-Y86 HydrophobicContact CE-CE1 4.1Å; M73-Y86 HydrophobicContact CE-CG 4.29Å; L75-Y86 HydrophobicContact CD1-CE1 3.95Å; L75-Y86 HydrophobicContact CD1-CE2 4.41Å; T79-Y86 PolarHBondContact O-OH 2.78Å; F80-Y86 AromaticContact CD2-CE2 3.83Å; F80-Y86 HydrophobicContact CD2-CE2 3.83Å; F80-Y86 HydrophobicContact CE2-CD2 4.17Å; F80-Y86 AromaticContact CE2-CE2 3.82Å; F80-Y86 HydrophobicContact CE2-CE2 3.82Å; E81-Y86 PolarHBondContact N-OH 2.88Å; A84-Y86 HydrophobicContact CB-CE2 4.07Å
87	Y	94.1	Very high	87.2	Confident	93 Å²	93	75.1 Å²	75.1	37%	0.365	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.1	177.5	-56.9	-81.3	0	0	0	109.6	W28 V29 Q31 L37 V85	W28-Y87 WeakPolarHBondContact CA-O 3.11Å; V29-Y87 PolarHBondContact N-O 2.61Å; V29-Y87 PolarHBondContact O-N 3.46Å; Q31-Y87 HydrophobicContact CB-CD2 4.4Å; Q31-Y87 HydrophobicContact CB-CE2 3.69Å; Q31-Y87 PolarHBondContact OE1-OH 3.44Å; L37-Y87 HydrophobicContact CD2-CD2 4.43Å; L37-Y87 HydrophobicContact CD2-CE2 4.36Å; V85-Y87 HydrophobicContact CB-CE2 3.94Å; V85-Y87 HydrophobicContact CG1-CD1 4.34Å; V85-Y87 HydrophobicContact CG1-CD2 4.34Å; V85-Y87 HydrophobicContact CG1-CE1 3.71Å; V85-Y87 HydrophobicContact CG1-CE2 3.71Å
88	C	94.6	Very high	87.6	Confident	46 Å²	46	75.6 Å²	75.6	31%	0.311	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	139.8	160.3	63.8	0	0	0	0	108.8	C14 M26 Y27 W28	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.29Å; C14-C88 WeakPolarHBondContact SG-CB 3.36Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.44Å; M26-C88 HydrophobicContact SD-CB 3.74Å; Y27-C88 CarbonylContact O-C 3.52Å; Y27-C88 WeakPolarHBondContact O-CA 3.36Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.13Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ3-CB 4.07Å
89	T	93.6	Very high	88.3	Confident	65 Å²	65	75.5 Å²	75.5	40%	0.399	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143.8	179.5	63.1	0	0	0	0	110.7	M26 Y27	M26-T89 VanDerWaalsContact SD-O 3.39Å; Y27-T89 WeakPolarHBondContact CB-O 3.25Å; Y27-T89 WeakPolarHBondContact CB-OG1 3.45Å; Y27-T89 PolarHBondContact N-O 2.95Å; Y27-T89 PolarHBondContact O-N 2.63Å
90	R	91.7	Very high	88.7	Confident	125 Å²	125	80.7 Å²	80.7	47%	0.472	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	138.2	171.5	-170.6	-175.7	63.8	106.2	-4.1	110.6	Y19 Y24	Y19-R90 HydrophobicContact CE2-CG 4.21Å; Y19-R90 VanDerWaalsContact CZ-CD 3.43Å; Y19-R90 WeakPolarHBondContact OH-CD 3.37Å; Y24-R90 HydrophobicContact CD1-CG 4.14Å; Y24-R90 HydrophobicContact CD2-CG 4.2Å; Y24-R90 HydrophobicContact CG-CG 3.71Å; Y24-R90 PolarHBondContact OH-NH1 3.47Å
91	G	84.3	Confident	89.1	Confident	71 Å²	71	81.6 Å²	81.6	73%	0.732	43%	0.425	S	S	*	.			trans	-73	0	168.6	0	0	0	0	0	115.8	Y24 Y25	Y24-G91 WeakPolarHBondContact CD1-O 3.41Å; Y25-G91 PolarHBondContact O-N 2.71Å

Retrieved 91 of 91 residues in 19.1 ms (Link to these results)

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