X5J4K9_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4K9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 90 aa.

						>X5J4K9_MOUSE|X5J4K9
PGRVAPSQSLSITCTVSGFSLTSYGVHWVRQPPGKGLEWLGVIWAGGSTNYNSALMSRLSISKDNSKSQVFLKMNSLQTDDTAMYYCARA
					

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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	P	53.9	Low	71.9	Confident	178 Å²	178	100.9 Å²	100.9	100%	1.156	62%	0.615	S	S	*	*				0	116.7	0	-6.3	26	0	0	0	110.7
2	G	64.2	Low	73.8	Confident	82 Å²	82	95.6 Å²	95.6	85%	0.845	58%	0.58	S	S	*	*			trans	-81.3	130.8	175.7	0	0	0	0	0	110.7
3	R	66.3	Low	75.6	Confident	252 Å²	252	93.6 Å²	93.6	95%	0.951	57%	0.568	S	S	*	*			trans	-104.5	125.8	169.3	-72.7	-176.9	178	179.5	-0.1	108
4	V	67.4	Low	77.1	Confident	67 Å²	67	87.6 Å²	87.6	41%	0.406	53%	0.532	S	S	.	.			trans	-120.4	139.3	175.5	-87.1	0	0	0	0	108.5	L10 L77	V4-L10 HydrophobicContact CG1-CD1 4.03Å; V4-L10 HydrophobicContact CG2-CB 4.45Å; V4-L10 HydrophobicContact CG2-CD1 4.04Å; V4-L10 HydrophobicContact CG2-CD2 4.42Å; V4-L77 HydrophobicContact CB-CD1 3.88Å; V4-L77 HydrophobicContact CG2-CD1 3.57Å
5	A	71.9	Confident	78.5	Confident	48 Å²	48	88 Å²	88	40%	0.397	54%	0.535	S	S	.	.			trans	-77.7	153.7	-179.8	0	0	0	0	0	111	Q8	A5-Q8 HydrophobicContact CB-CG 4.32Å; A5-Q8 VanDerWaalsContact N-OE1 3.13Å; A5-Q8 WeakPolarHBondContact O-CB 3.43Å; A5-Q8 PolarHBondContact O-N 3.4Å
6	P	62.3	Low	79.5	Confident	90 Å²	90	83.4 Å²	83.4	58%	0.584	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	146.3	170	-24	33.8	0	0	0	111.3	Q8	P6-Q8 PolarHBondContact O-N 3.3Å
7	S	66.6	Low	80.4	Confident	105 Å²	105	84.7 Å²	84.7	73%	0.734	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	-2.1	-176.4	-47.7	0	0	0	0	116.6	L77	S7-L77 PolarHBondContact N-O 2.8Å
8	Q	78.3	Confident	81.2	Confident	110 Å²	110	84.7 Å²	84.7	51%	0.514	54%	0.54	S	S	.	.	S	Bend	trans	-84.7	166	167.4	-65.9	-173.8	-43.8	0	0	111.4	A5 P6 L77	A5-Q8 HydrophobicContact CB-CG 4.32Å; A5-Q8 VanDerWaalsContact N-OE1 3.13Å; A5-Q8 WeakPolarHBondContact O-CB 3.43Å; A5-Q8 PolarHBondContact O-N 3.4Å; P6-Q8 PolarHBondContact O-N 3.3Å; Q8-L77 WeakPolarHBondContact O-CD1 3.45Å; Q8-L77 VanDerWaalsContact O-CG 3.3Å; Q8-L77 WeakPolarHBondContact O-CG 3.29Å; Q8-L77 PolarHBondContact O-N 2.79Å
9	S	82.7	Confident	81.8	Confident	65 Å²	65	82.3 Å²	82.3	46%	0.455	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-92.9	135.3	171.4	-54.9	0	0	0	0	109.9	M74 N75	S9-M74 CarbonylContact C-O 3.54Å; S9-M74 WeakPolarHBondContact CA-O 3.31Å; S9-N75 PolarHBondContact OG-OD1 3.24Å
10	L	85.9	Confident	82.5	Confident	38 Å²	38	80.8 Å²	80.8	20%	0.199	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138	169	-179.1	59.7	0	0	0	109	V4 I12 K73 M74 L77	V4-L10 HydrophobicContact CG1-CD1 4.03Å; V4-L10 HydrophobicContact CG2-CB 4.45Å; V4-L10 HydrophobicContact CG2-CD1 4.04Å; V4-L10 HydrophobicContact CG2-CD2 4.42Å; L10-I12 HydrophobicContact CD1-CG1 4.31Å; L10-I12 HydrophobicContact CD2-CD1 3.76Å; L10-I12 HydrophobicContact CD2-CG1 3.8Å; L10-I12 HydrophobicContact CG-CD1 4.31Å; L10-I12 HydrophobicContact CG-CG1 3.78Å; L10-K73 CarbonylContact O-C 3.54Å; L10-K73 VanDerWaalsContact O-CA 3.31Å; L10-K73 WeakPolarHBondContact O-CA 3.46Å; L10-M74 HydrophobicContact CB-CE 4.38Å; L10-M74 HydrophobicContact CD2-CE 3.68Å; L10-M74 HydrophobicContact CG-CE 4.44Å; L10-M74 PolarHBondContact N-O 3.02Å; L10-M74 PolarHBondContact O-N 3.08Å; L10-L77 HydrophobicContact CB-CD1 3.71Å; L10-L77 HydrophobicContact CB-CD2 3.95Å; L10-L77 HydrophobicContact CB-CG 4.28Å
11	S	91.4	Very high	83.2	Confident	75 Å²	75	77.1 Å²	77.1	52%	0.524	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.9	166.4	-171.8	0	0	0	0	108.8	L72	S11-L72 CarbonylContact C-O 3.56Å; S11-L72 WeakPolarHBondContact CA-O 3.33Å
12	I	94.3	Very high	85.2	Confident	37 Å²	37	72.5 Å²	72.5	19%	0.19	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.4	176.5	-48.8	-176.3	0	0	0	108.1	L10 W28 F71 L72 Y85	L10-I12 HydrophobicContact CD1-CG1 4.31Å; L10-I12 HydrophobicContact CD2-CD1 3.76Å; L10-I12 HydrophobicContact CD2-CG1 3.8Å; L10-I12 HydrophobicContact CG-CD1 4.31Å; L10-I12 HydrophobicContact CG-CG1 3.78Å; I12-W28 HydrophobicContact CB-CH2 4.13Å; I12-W28 HydrophobicContact CB-CZ3 4.17Å; I12-W28 HydrophobicContact CG2-CH2 3.9Å; I12-W28 HydrophobicContact CG2-CZ3 3.82Å; I12-F71 CarbonylContact O-C 3.57Å; I12-F71 WeakPolarHBondContact O-CA 3.33Å; I12-L72 HydrophobicContact CB-CB 4.39Å; I12-L72 HydrophobicContact CD1-CD2 4.32Å; I12-L72 PolarHBondContact N-O 3.38Å; I12-L72 PolarHBondContact O-N 3.21Å; I12-Y85 HydrophobicContact CD1-CD1 3.7Å; I12-Y85 HydrophobicContact CD1-CD2 3.77Å; I12-Y85 HydrophobicContact CD1-CE1 4.37Å; I12-Y85 HydrophobicContact CD1-CE2 4.45Å; I12-Y85 HydrophobicContact CD1-CG 3.38Å
13	T	97.3	Very high	86.7	Confident	70 Å²	70	72.4 Å²	72.4	43%	0.429	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.7	175.3	-54.9	0	0	0	0	109.5	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.21Å; T13-Q69 HydrophobicContact CG2-CG 3.92Å; T13-F71 HydrophobicContact CG2-CD1 3.95Å; T13-F71 HydrophobicContact CG2-CE1 3.6Å; T13-F71 HydrophobicContact CG2-CZ 4.39Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.21Å
14	C	97	Very high	88.2	Confident	9 Å²	9	65.2 Å²	65.2	6%	0.061	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114	168.4	172.8	0	0	0	0	109	W28 Q69 V70 C87	C14-W28 HydrophobicContact CB-CH2 3.57Å; C14-W28 HydrophobicContact CB-CZ2 3.81Å; C14-W28 HydrophobicContact CB-CZ3 4.4Å; C14-Q69 CarbonylContact O-C 3.49Å; C14-Q69 WeakPolarHBondContact O-CA 3.48Å; C14-V70 PolarHBondContact N-O 3.04Å; C14-V70 PolarHBondContact O-N 3.26Å; C14-C87 HydrophobicContact CB-CB 3.5Å; C14-C87 WeakPolarHBondContact CB-SG 3.28Å; C14-C87 WeakPolarHBondContact SG-CB 3.43Å; C14-C87 CovalentContact SG-SG 2.02Å; C14-C87 PolarHBondContact SG-SG 2.59Å
15	T	97.4	Very high	89.6	Confident	94 Å²	94	62.2 Å²	62.2	58%	0.577	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.4	171.2	-53.1	0	0	0	0	108.4	S68 Q69	T15-S68 WeakPolarHBondContact CA-O 3.4Å; T15-Q69 HydrophobicContact CG2-CG 4.3Å; T15-Q69 PolarHBondContact OG1-NE2 2.8Å
16	V	95.1	Very high	90.8	Very high	15 Å²	15	60 Å²	60	9%	0.091	38%	0.382	C	S	.	.			trans	-98.6	150.2	-179.1	-56.8	0	0	0	0	111	F19 L21 V26 S68	V16-F19 HydrophobicContact CB-CD1 4.45Å; V16-F19 HydrophobicContact CB-CE1 3.66Å; V16-F19 HydrophobicContact CB-CE2 4.24Å; V16-F19 HydrophobicContact CB-CZ 3.54Å; V16-F19 HydrophobicContact CG1-CE1 4.01Å; V16-F19 HydrophobicContact CG1-CE2 4.34Å; V16-F19 HydrophobicContact CG1-CZ 3.53Å; V16-F19 HydrophobicContact CG2-CE1 4.28Å; V16-F19 HydrophobicContact CG2-CE2 4.1Å; V16-F19 HydrophobicContact CG2-CZ 3.92Å; V16-L21 HydrophobicContact CG1-CD2 4.29Å; V16-L21 HydrophobicContact CG2-CD1 4.2Å; V16-L21 HydrophobicContact CG2-CD2 3.64Å; V16-L21 HydrophobicContact CG2-CG 3.72Å; V16-V26 HydrophobicContact CG1-CG2 4.3Å; V16-S68 WeakPolarHBondContact CG2-O 3.39Å; V16-S68 PolarHBondContact N-O 2.89Å
17	S	95.2	Very high	92.5	Very high	105 Å²	105	57.9 Å²	57.9	73%	0.734	36%	0.364	S	S	*	.			trans	-142	156.7	173.7	61.2	0	0	0	0	109.7	F19	S17-F19 VanDerWaalsContact C-N 3.28Å; S17-F19 PolarHBondContact O-N 2.89Å
18	G	94.2	Very high	94	Very high	85 Å²	85	53 Å²	53	88%	0.876	33%	0.33	S	S	*	.	S	Bend	trans	79.2	1.1	-178.9	0	0	0	0	0	115.5
19	F	93.1	Very high	94.9	Very high	39 Å²	39	49 Å²	49	17%	0.171	31%	0.313	C	S	.	.	S	Bend	trans	-155.7	163.3	170.8	69.4	-85.6	0	0	0	111.6	V16 S17 L21 Y24 V26 R89	V16-F19 HydrophobicContact CB-CD1 4.45Å; V16-F19 HydrophobicContact CB-CE1 3.66Å; V16-F19 HydrophobicContact CB-CE2 4.24Å; V16-F19 HydrophobicContact CB-CZ 3.54Å; V16-F19 HydrophobicContact CG1-CE1 4.01Å; V16-F19 HydrophobicContact CG1-CE2 4.34Å; V16-F19 HydrophobicContact CG1-CZ 3.53Å; V16-F19 HydrophobicContact CG2-CE1 4.28Å; V16-F19 HydrophobicContact CG2-CE2 4.1Å; V16-F19 HydrophobicContact CG2-CZ 3.92Å; S17-F19 VanDerWaalsContact C-N 3.28Å; S17-F19 PolarHBondContact O-N 2.89Å; F19-L21 HydrophobicContact CE2-CD2 3.99Å; F19-Y24 HydrophobicContact CB-CD2 3.86Å; F19-Y24 HydrophobicContact CB-CE2 4.17Å; F19-Y24 AromaticContact CD2-CD2 3.92Å; F19-Y24 HydrophobicContact CD2-CD2 3.92Å; F19-Y24 HydrophobicContact CD2-CG 4.06Å; F19-Y24 HydrophobicContact CG-CD2 4.28Å; F19-V26 HydrophobicContact CE2-CG2 4.06Å; F19-V26 HydrophobicContact CZ-CG2 4.03Å; F19-R89 HydrophobicContact CD1-CG 4.14Å; F19-R89 HydrophobicContact CD2-CG 4Å; F19-R89 HydrophobicContact CE1-CB 3.95Å; F19-R89 HydrophobicContact CE1-CG 3.94Å; F19-R89 HydrophobicContact CE2-CB 4.42Å; F19-R89 HydrophobicContact CE2-CG 3.79Å; F19-R89 HydrophobicContact CG-CG 4.15Å; F19-R89 HydrophobicContact CZ-CB 3.88Å; F19-R89 HydrophobicContact CZ-CG 3.74Å
20	S	95.2	Very high	95.5	Very high	52 Å²	52	46.9 Å²	46.9	36%	0.364	29%	0.294	S	S	.	.			trans	-97	136	175.4	-178.8	0	0	0	0	112.3	T22 S23 Y24	S20-T22 PolarHBondContact O-N 2.82Å; S20-T22 PolarHBondContact OG-N 3.16Å; S20-T22 PolarHBondContact OG-OG1 3.39Å; S20-S23 PolarHBondContact O-N 2.97Å; S20-Y24 PolarHBondContact O-N 3.34Å; S20-Y24 VanDerWaalsContact O-N 3.08Å
21	L	96.7	Very high	96	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.016	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-12	172.5	-66.7	179.7	0	0	0	113.9	V16 F19 S23 V26 K63 N65 Q69 V70	V16-L21 HydrophobicContact CG1-CD2 4.29Å; V16-L21 HydrophobicContact CG2-CD1 4.2Å; V16-L21 HydrophobicContact CG2-CD2 3.64Å; V16-L21 HydrophobicContact CG2-CG 3.72Å; F19-L21 HydrophobicContact CE2-CD2 3.99Å; L21-S23 VanDerWaalsContact C-N 3.33Å; L21-V26 HydrophobicContact CD2-CG2 3.55Å; L21-K63 HydrophobicContact CB-CD 4.44Å; L21-K63 HydrophobicContact CD1-CB 4.41Å; L21-K63 PolarHBondContact O-NZ 3.06Å; L21-N65 VanDerWaalsContact CB-OD1 3.31Å; L21-N65 WeakPolarHBondContact CB-OD1 3.3Å; L21-Q69 WeakPolarHBondContact CD1-O 3.34Å; L21-V70 HydrophobicContact CD1-CG2 3.88Å; L21-V70 HydrophobicContact CD2-CG2 3.61Å; L21-V70 HydrophobicContact CG-CG2 4.43Å
22	T	96.6	Very high	96.1	Very high	82 Å²	82	45.4 Å²	45.4	50%	0.503	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-12.3	170.8	58.8	0	0	0	0	112.9	S20 N65	S20-T22 PolarHBondContact O-N 2.82Å; S20-T22 PolarHBondContact OG-N 3.16Å; S20-T22 PolarHBondContact OG-OG1 3.39Å; T22-N65 HydrophobicContact CG2-CB 4.28Å; T22-N65 WeakPolarHBondContact CG2-ND2 3.25Å
23	S	96.5	Very high	96.1	Very high	79 Å²	79	48.7 Å²	48.7	55%	0.552	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	-27.5	-177.4	-53.8	0	0	0	0	112.8	S20 L21	S20-S23 PolarHBondContact O-N 2.97Å; L21-S23 VanDerWaalsContact C-N 3.33Å
24	Y	96.4	Very high	96	Very high	102 Å²	102	49.8 Å²	49.8	40%	0.4	33%	0.328	S	S	.	.			trans	-125.1	149.4	-178.8	-64.4	-92.2	0	0	0	111.9	F19 S20 R89	F19-Y24 HydrophobicContact CB-CD2 3.86Å; F19-Y24 HydrophobicContact CB-CE2 4.17Å; F19-Y24 AromaticContact CD2-CD2 3.92Å; F19-Y24 HydrophobicContact CD2-CD2 3.92Å; F19-Y24 HydrophobicContact CD2-CG 4.06Å; F19-Y24 HydrophobicContact CG-CD2 4.28Å; S20-Y24 PolarHBondContact O-N 3.34Å; S20-Y24 VanDerWaalsContact O-N 3.08Å; Y24-R89 HydrophobicContact CD1-CG 3.91Å; Y24-R89 HydrophobicContact CG-CG 3.95Å
25	G	96.9	Very high	95.9	Very high	3 Å²	3	55.2 Å²	55.2	3%	0.031	35%	0.351	C	S	.	.			trans	-80.5	164.8	165.7	0	0	0	0	0	112	I43 A90	G25-I43 CarbonylContact C-O 3.42Å; G25-I43 WeakPolarHBondContact CA-O 3.4Å; G25-A90 PolarHBondContact O-N 3.32Å
26	V	98.3	Very high	95.7	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121.2	174.1	178.2	0	0	0	0	109.7	V16 F19 L21 V42 I43 V70 C87 A88	V16-V26 HydrophobicContact CG1-CG2 4.3Å; F19-V26 HydrophobicContact CE2-CG2 4.06Å; F19-V26 HydrophobicContact CZ-CG2 4.03Å; L21-V26 HydrophobicContact CD2-CG2 3.55Å; V26-V42 WeakPolarHBondContact O-CA 3.3Å; V26-V42 WeakPolarHBondContact O-CG2 3.21Å; V26-I43 PolarHBondContact N-O 3.03Å; V26-I43 PolarHBondContact O-N 2.96Å; V26-I43 VanDerWaalsContact O-N 3.09Å; V26-V70 HydrophobicContact CB-CG1 4.36Å; V26-V70 HydrophobicContact CB-CG2 3.94Å; V26-V70 HydrophobicContact CG1-CB 4.37Å; V26-V70 HydrophobicContact CG1-CG1 4.33Å; V26-V70 HydrophobicContact CG1-CG2 4.19Å; V26-V70 HydrophobicContact CG2-CG2 3.82Å; V26-C87 HydrophobicContact CG1-CB 3.89Å; V26-A88 CarbonylContact C-O 3.56Å; V26-A88 WeakPolarHBondContact CA-O 3.41Å
27	H	97.9	Very high	95.8	Very high	46 Å²	46	58.3 Å²	58.3	21%	0.213	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	144.7	173.5	-65.9	-93.4	0	0	0	110.3	W39 G41 C87 A88 A90	H27-W39 AromaticContact ND1-CD1 3.87Å; H27-W39 AromaticContact ND1-NE1 3.22Å; H27-W39 PolarHBondContact ND1-NE1 2.78Å; H27-G41 WeakPolarHBondContact CA-O 3.37Å; H27-C87 CarbonylContact O-C 3.4Å; H27-C87 VanDerWaalsContact O-CA 3.24Å; H27-C87 WeakPolarHBondContact O-CA 3.13Å; H27-A88 HydrophobicContact CB-CB 4.47Å; H27-A88 PolarHBondContact N-O 2.94Å; H27-A88 PolarHBondContact O-N 2.84Å; H27-A90 WeakPolarHBondContact NE2-CB 3.19Å
28	W	97.7	Very high	95.8	Very high	3 Å²	3	56 Å²	56	1%	0.011	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.1	164.7	-73	97	0	0	0	109.6	I12 C14 L40 G41 I61 V70 L72 Y86 C87	I12-W28 HydrophobicContact CB-CH2 4.13Å; I12-W28 HydrophobicContact CB-CZ3 4.17Å; I12-W28 HydrophobicContact CG2-CH2 3.9Å; I12-W28 HydrophobicContact CG2-CZ3 3.82Å; C14-W28 HydrophobicContact CB-CH2 3.57Å; C14-W28 HydrophobicContact CB-CZ2 3.81Å; C14-W28 HydrophobicContact CB-CZ3 4.4Å; W28-L40 HydrophobicContact CB-CB 4.05Å; W28-L40 HydrophobicContact CB-CD1 4.34Å; W28-L40 WeakPolarHBondContact O-CB 3.44Å; W28-L40 PolarHBondContact O-N 3.2Å; W28-G41 PolarHBondContact N-O 2.91Å; W28-G41 PolarHBondContact O-N 2.88Å; W28-I61 HydrophobicContact CG-CD1 4.5Å; W28-V70 HydrophobicContact CZ2-CB 4.33Å; W28-V70 HydrophobicContact CZ2-CG1 4.09Å; W28-V70 WeakPolarHBondContact CZ2-O 3.29Å; W28-L72 HydrophobicContact CB-CD1 4.48Å; W28-L72 HydrophobicContact CB-CD2 4.43Å; W28-L72 HydrophobicContact CD2-CB 3.65Å; W28-L72 HydrophobicContact CD2-CD2 4.02Å; W28-L72 HydrophobicContact CD2-CG 4.28Å; W28-L72 HydrophobicContact CE3-CB 3.9Å; W28-L72 HydrophobicContact CE3-CD2 3.81Å; W28-L72 HydrophobicContact CE3-CG 4.45Å; W28-L72 HydrophobicContact CG-CB 4.19Å; W28-L72 HydrophobicContact CG-CD1 4.23Å; W28-L72 HydrophobicContact CG-CD2 4.3Å; W28-L72 HydrophobicContact CG-CG 4.49Å; W28-L72 HydrophobicContact CH2-CB 3.93Å; W28-L72 HydrophobicContact CZ2-CB 3.71Å; W28-L72 HydrophobicContact CZ3-CB 4.03Å; W28-L72 HydrophobicContact CZ3-CD2 4.36Å; W28-Y86 WeakPolarHBondContact CA-O 3.48Å; W28-C87 HydrophobicContact CE3-CB 4.29Å; W28-C87 HydrophobicContact CH2-CB 4.39Å; W28-C87 HydrophobicContact CZ3-CB 4.23Å
29	V	96.8	Very high	95.8	Very high	26 Å²	26	56.2 Å²	56.2	16%	0.158	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.9	-179	-175.4	0	0	0	0	107.7	L37 E38 Y86	V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.44Å; V29-Y86 PolarHBondContact N-O 3.41Å; V29-Y86 PolarHBondContact O-N 3.3Å
30	R	95.3	Very high	96	Very high	19 Å²	19	54.4 Å²	54.4	7%	0.072	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	156.8	169.9	71.4	174.5	-178.4	-173.9	8.3	111.8	E38 L40 D81 A83 M84 Y85	R30-E38 HydrophobicContact CG-CB 3.94Å; R30-E38 IonicContact CZ-OE2 2.82Å; R30-E38 VanDerWaalsContact CZ-OE2 3.3Å; R30-E38 PolarHBondContact N-O 2.8Å; R30-E38 IonicContact NE-OE2 2.8Å; R30-E38 PolarHBondContact NE-OE2 2.93Å; R30-E38 IonicContact NH2-OE2 3.96Å; R30-E38 PolarHBondContact NH2-OE2 3.22Å; R30-E38 PolarHBondContact O-N 2.89Å; R30-L40 HydrophobicContact CB-CD1 4.1Å; R30-L40 HydrophobicContact CB-CD2 4.5Å; R30-L40 HydrophobicContact CB-CG 4.4Å; R30-L40 HydrophobicContact CG-CD1 4.32Å; R30-L40 HydrophobicContact CG-CD2 3.82Å; R30-L40 HydrophobicContact CG-CG 4.19Å; R30-D81 IonicContact CZ-OD1 3.3Å; R30-D81 IonicContact NH1-OD1 2.89Å; R30-D81 PolarHBondContact NH1-OD1 2.78Å; R30-A83 HydrophobicContact CB-CB 3.85Å; R30-A83 HydrophobicContact CG-CB 4.24Å; R30-M84 CarbonylContact C-O 3.56Å; R30-M84 WeakPolarHBondContact CA-O 3.43Å; R30-Y85 HydrophobicContact CB-CD1 3.9Å; R30-Y85 HydrophobicContact CB-CE1 3.8Å; R30-Y85 HydrophobicContact CB-CG 4.41Å
31	Q	96.1	Very high	96	Very high	74 Å²	74	51.9 Å²	51.9	35%	0.346	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	101.1	172.9	-165.3	177.4	16.3	0	0	109.8	K35 L37 A83 M84 Y86	Q31-K35 WeakPolarHBondContact CG-O 3.37Å; Q31-K35 PolarHBondContact NE2-O 3Å; Q31-L37 HydrophobicContact CB-CD2 3.98Å; Q31-L37 HydrophobicContact CG-CD2 4.24Å; Q31-A83 WeakPolarHBondContact O-CA 3.32Å; Q31-A83 WeakPolarHBondContact O-CB 3.36Å; Q31-M84 HydrophobicContact CB-CB 4.48Å; Q31-M84 PolarHBondContact N-O 3.07Å; Q31-M84 PolarHBondContact O-N 3.48Å; Q31-Y86 HydrophobicContact CB-CE2 3.88Å
32	P	94.6	Very high	96.1	Very high	9 Å²	9	51.8 Å²	51.8	6%	0.058	30%	0.301	C	S	.	.			trans	-64.8	151.2	171.3	-18.9	31.7	0	0	0	111.1	G34 K35 A83	P32-G34 PolarHBondContact O-N 3.06Å; P32-K35 HydrophobicContact CB-CB 4.05Å; P32-K35 HydrophobicContact CB-CD 3.97Å; P32-K35 HydrophobicContact CB-CG 4.19Å; P32-K35 HydrophobicContact CG-CB 4.26Å; P32-K35 HydrophobicContact CG-CD 4.15Å; P32-K35 PolarHBondContact O-N 2.83Å; P32-A83 HydrophobicContact CB-CB 4.47Å; P32-A83 HydrophobicContact CG-CB 4.28Å
33	P	94.6	Very high	96.2	Very high	105 Å²	105	48.3 Å²	48.3	68%	0.682	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	127.3	176.2	-24.9	33.6	0	0	0	111.8	K35 T82	P33-K35 PolarHBondContact O-N 3.49Å; P33-T82 VanDerWaalsContact CD-O 3.25Å; P33-T82 WeakPolarHBondContact CD-O 3.48Å
34	G	95.1	Very high	96.3	Very high	94 Å²	94	49.4 Å²	49.4	97%	0.969	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	6.8	-179.9	0	0	0	0	0	115.5	P32	P32-G34 PolarHBondContact O-N 3.06Å
35	K	93.9	Very high	96.3	Very high	123 Å²	123	46.1 Å²	46.1	54%	0.535	27%	0.265	S	S	.	.	S	Bend	trans	-116	165.7	176.8	-61.2	-169.3	-175.7	176.7	0	112.1	Q31 P32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.37Å; Q31-K35 PolarHBondContact NE2-O 3Å; P32-K35 HydrophobicContact CB-CB 4.05Å; P32-K35 HydrophobicContact CB-CD 3.97Å; P32-K35 HydrophobicContact CB-CG 4.19Å; P32-K35 HydrophobicContact CG-CB 4.26Å; P32-K35 HydrophobicContact CG-CD 4.15Å; P32-K35 PolarHBondContact O-N 2.83Å; P33-K35 PolarHBondContact O-N 3.49Å
36	G	94.4	Very high	96.2	Very high	51 Å²	51	49.7 Å²	49.7	53%	0.526	30%	0.302	S	S	.	.			trans	-72.5	180	173.1	0	0	0	0	0	113.2
37	L	95.6	Very high	96.1	Very high	122 Å²	122	51.2 Å²	51.2	64%	0.639	32%	0.318	S	S	*	.			trans	-70	129.2	173.8	-66.2	175.3	0	0	0	110.5	V29 Q31 Y86	V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; Q31-L37 HydrophobicContact CB-CD2 3.98Å; Q31-L37 HydrophobicContact CG-CD2 4.24Å; L37-Y86 HydrophobicContact CD2-CD2 4.45Å; L37-Y86 HydrophobicContact CD2-CE2 4.43Å
38	E	94.9	Very high	96.1	Very high	56 Å²	56	52.3 Å²	52.3	26%	0.262	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.1	175.1	-67.1	-179.9	-175.7	0	0	109.4	V29 R30	V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.44Å; R30-E38 HydrophobicContact CG-CB 3.94Å; R30-E38 IonicContact CZ-OE2 2.82Å; R30-E38 VanDerWaalsContact CZ-OE2 3.3Å; R30-E38 PolarHBondContact N-O 2.8Å; R30-E38 IonicContact NE-OE2 2.8Å; R30-E38 PolarHBondContact NE-OE2 2.93Å; R30-E38 IonicContact NH2-OE2 3.96Å; R30-E38 PolarHBondContact NH2-OE2 3.22Å; R30-E38 PolarHBondContact O-N 2.89Å
39	W	95.9	Very high	96.1	Very high	91 Å²	91	54.6 Å²	54.6	35%	0.345	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	133.2	174.2	-179.9	73.8	0	0	0	110.7	H27 G41 V42 N50 Y51 N52	H27-W39 AromaticContact ND1-CD1 3.87Å; H27-W39 AromaticContact ND1-NE1 3.22Å; H27-W39 PolarHBondContact ND1-NE1 2.78Å; W39-G41 VanDerWaalsContact CE2-C 3.48Å; W39-G41 VanDerWaalsContact CE2-CA 3.47Å; W39-G41 PolarHBondContact NE1-O 2.95Å; W39-V42 HydrophobicContact CZ2-CB 4.13Å; W39-V42 HydrophobicContact CZ2-CG1 3.99Å; W39-N50 HydrophobicContact CH2-CB 4.01Å; W39-N50 HydrophobicContact CZ2-CB 4.44Å; W39-Y51 VanDerWaalsContact CZ3-C 3.44Å; W39-N52 HydrophobicContact CE3-CB 4.04Å; W39-N52 HydrophobicContact CZ3-CB 4.21Å; W39-N52 VanDerWaalsContact O-CB 3.32Å; W39-N52 WeakPolarHBondContact O-CB 3.24Å; W39-N52 PolarHBondContact O-ND2 2.91Å
40	L	95.7	Very high	96	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-40.8	-178.6	-62.4	-177.5	0	0	0	112.5	W28 R30 N52 L55 L59 L72 Y85	W28-L40 HydrophobicContact CB-CB 4.05Å; W28-L40 HydrophobicContact CB-CD1 4.34Å; W28-L40 WeakPolarHBondContact O-CB 3.44Å; W28-L40 PolarHBondContact O-N 3.2Å; R30-L40 HydrophobicContact CB-CD1 4.1Å; R30-L40 HydrophobicContact CB-CD2 4.5Å; R30-L40 HydrophobicContact CB-CG 4.4Å; R30-L40 HydrophobicContact CG-CD1 4.32Å; R30-L40 HydrophobicContact CG-CD2 3.82Å; R30-L40 HydrophobicContact CG-CG 4.19Å; L40-N52 PolarHBondContact O-N 2.78Å; L40-L55 HydrophobicContact CD2-CD1 3.35Å; L40-L59 HydrophobicContact CB-CD1 4Å; L40-L59 HydrophobicContact CD2-CD1 4.4Å; L40-L59 WeakPolarHBondContact O-CD1 3.48Å; L40-L72 HydrophobicContact CD1-CD2 3.76Å; L40-Y85 HydrophobicContact CD1-CD1 3.85Å; L40-Y85 HydrophobicContact CD1-CE1 3.73Å
41	G	97.1	Very high	96.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.8	178	-174.6	0	0	0	0	0	112.5	H27 W28 W39 N50	H27-G41 WeakPolarHBondContact CA-O 3.37Å; W28-G41 PolarHBondContact N-O 2.91Å; W28-G41 PolarHBondContact O-N 2.88Å; W39-G41 VanDerWaalsContact CE2-C 3.48Å; W39-G41 VanDerWaalsContact CE2-CA 3.47Å; W39-G41 PolarHBondContact NE1-O 2.95Å; G41-N50 CarbonylContact C-O 3.55Å; G41-N50 WeakPolarHBondContact CA-O 3.47Å
42	V	97.9	Very high	95.9	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	145.8	175.7	68	0	0	0	0	109	V26 W39 W44 T49 N50	V26-V42 WeakPolarHBondContact O-CA 3.3Å; V26-V42 WeakPolarHBondContact O-CG2 3.21Å; W39-V42 HydrophobicContact CZ2-CB 4.13Å; W39-V42 HydrophobicContact CZ2-CG1 3.99Å; V42-W44 HydrophobicContact CG1-CD2 4.3Å; V42-W44 HydrophobicContact CG1-CZ2 3.73Å; V42-W44 HydrophobicContact CG2-CD2 4.33Å; V42-W44 HydrophobicContact CG2-CE3 4.42Å; V42-W44 HydrophobicContact CG2-CH2 4.49Å; V42-W44 HydrophobicContact CG2-CZ2 4.41Å; V42-W44 HydrophobicContact CG2-CZ3 4.49Å; V42-T49 VanDerWaalsContact O-CA 3.28Å; V42-T49 WeakPolarHBondContact O-CA 3.01Å; V42-N50 HydrophobicContact CG1-CB 3.99Å; V42-N50 PolarHBondContact N-O 3.26Å; V42-N50 PolarHBondContact O-N 2.96Å
43	I	98.3	Very high	95.7	Very high	8 Å²	8	62 Å²	62	4%	0.041	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.4	161.5	-172.6	163.4	0	0	0	108.9	G25 V26 S48 T49 I61 K63 V70	G25-I43 CarbonylContact C-O 3.42Å; G25-I43 WeakPolarHBondContact CA-O 3.4Å; V26-I43 PolarHBondContact N-O 3.03Å; V26-I43 PolarHBondContact O-N 2.96Å; V26-I43 VanDerWaalsContact O-N 3.09Å; I43-S48 WeakPolarHBondContact CA-O 3.36Å; I43-T49 HydrophobicContact CB-CG2 3.94Å; I43-T49 HydrophobicContact CD1-CG2 4Å; I43-T49 HydrophobicContact CG1-CG2 3.82Å; I43-I61 HydrophobicContact CB-CG2 3.69Å; I43-I61 HydrophobicContact CG2-CG2 3.66Å; I43-K63 HydrophobicContact CD1-CB 4.07Å; I43-K63 HydrophobicContact CD1-CD 3.93Å; I43-K63 HydrophobicContact CD1-CG 3.75Å; I43-K63 HydrophobicContact CG1-CD 4.13Å; I43-K63 HydrophobicContact CG1-CG 4.49Å; I43-K63 HydrophobicContact CG2-CD 4.44Å; I43-V70 HydrophobicContact CG2-CG1 3.73Å
44	W	98.1	Very high	95.4	Very high	102 Å²	102	60.7 Å²	60.7	39%	0.386	39%	0.388	S	S	.	.			trans	-80.3	168.2	-177.6	-63.4	107.1	0	0	0	112.1	V42 G46 G47 S48 N50 K63 A90	V42-W44 HydrophobicContact CG1-CD2 4.3Å; V42-W44 HydrophobicContact CG1-CZ2 3.73Å; V42-W44 HydrophobicContact CG2-CD2 4.33Å; V42-W44 HydrophobicContact CG2-CE3 4.42Å; V42-W44 HydrophobicContact CG2-CH2 4.49Å; V42-W44 HydrophobicContact CG2-CZ2 4.41Å; V42-W44 HydrophobicContact CG2-CZ3 4.49Å; W44-G46 PolarHBondContact O-N 2.82Å; W44-G47 PolarHBondContact O-N 2.93Å; W44-S48 VanDerWaalsContact CD1-OG 3.32Å; W44-S48 PolarHBondContact N-O 3.29Å; W44-N50 PolarHBondContact NE1-OD1 3.22Å; W44-K63 PolarHBondContact O-NZ 3.35Å; W44-A90 HydrophobicContact CZ3-CB 3.99Å
45	A	96.8	Very high	94.9	Very high	33 Å²	33	57 Å²	57	27%	0.273	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-39.7	175.5	0	0	0	0	0	112.4	G47 K63	A45-G47 VanDerWaalsContact C-N 3.26Å; A45-G47 PolarHBondContact O-N 3.49Å; A45-K63 VanDerWaalsContact C-NZ 3.3Å; A45-K63 PolarHBondContact O-NZ 2.7Å
46	G	95.9	Very high	94.6	Very high	78 Å²	78	56.5 Å²	56.5	80%	0.804	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-4.7	175.2	0	0	0	0	0	115.5	W44	W44-G46 PolarHBondContact O-N 2.82Å
47	G	95.6	Very high	94.4	Very high	35 Å²	35	59.3 Å²	59.3	36%	0.361	36%	0.358	S	S	.	.	S	Bend	trans	89.4	-5.3	179.1	0	0	0	0	0	115.2	W44 A45	W44-G47 PolarHBondContact O-N 2.93Å; A45-G47 VanDerWaalsContact C-N 3.26Å; A45-G47 PolarHBondContact O-N 3.49Å
48	S	96.9	Very high	94.2	Very high	68 Å²	68	55.1 Å²	55.1	48%	0.476	33%	0.334	S	S	.	.			trans	-63.2	147.9	169.7	53.9	0	0	0	0	110.9	I43 W44	I43-S48 WeakPolarHBondContact CA-O 3.36Å; W44-S48 VanDerWaalsContact CD1-OG 3.32Å; W44-S48 PolarHBondContact N-O 3.29Å
49	T	97.6	Very high	94.1	Very high	52 Å²	52	53.2 Å²	53.2	32%	0.319	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.9	-178.8	51.6	0	0	0	0	111.2	V42 I43 Y51 I61	V42-T49 VanDerWaalsContact O-CA 3.28Å; V42-T49 WeakPolarHBondContact O-CA 3.01Å; I43-T49 HydrophobicContact CB-CG2 3.94Å; I43-T49 HydrophobicContact CD1-CG2 4Å; I43-T49 HydrophobicContact CG1-CG2 3.82Å; T49-Y51 VanDerWaalsContact OG1-CE2 3.32Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.2Å; T49-Y51 PolarHBondContact OG1-OH 2.94Å; T49-I61 HydrophobicContact CG2-CB 4.42Å
50	N	96.5	Very high	94.1	Very high	83 Å²	83	51.4 Å²	51.4	44%	0.444	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.2	166.3	-61.6	76.4	0	0	0	108.2	W39 G41 V42 W44	W39-N50 HydrophobicContact CH2-CB 4.01Å; W39-N50 HydrophobicContact CZ2-CB 4.44Å; G41-N50 CarbonylContact C-O 3.55Å; G41-N50 WeakPolarHBondContact CA-O 3.47Å; V42-N50 HydrophobicContact CG1-CB 3.99Å; V42-N50 PolarHBondContact N-O 3.26Å; V42-N50 PolarHBondContact O-N 2.96Å; W44-N50 PolarHBondContact NE1-OD1 3.22Å
51	Y	95.8	Very high	94.1	Very high	65 Å²	65	51.8 Å²	51.8	26%	0.255	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	155.6	-177.5	-60.1	-83.6	0	0	0	110.3	W39 T49 S53 M56 L59 I61	W39-Y51 VanDerWaalsContact CZ3-C 3.44Å; T49-Y51 VanDerWaalsContact OG1-CE2 3.32Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.2Å; T49-Y51 PolarHBondContact OG1-OH 2.94Å; Y51-S53 PolarHBondContact O-N 2.79Å; Y51-M56 HydrophobicContact CG-CB 4.3Å; Y51-L59 HydrophobicContact CD1-CB 3.91Å; Y51-L59 HydrophobicContact CD1-CD1 4.49Å; Y51-L59 HydrophobicContact CE1-CB 4.13Å; Y51-I61 HydrophobicContact CD1-CD1 4.07Å; Y51-I61 HydrophobicContact CE1-CB 4.23Å; Y51-I61 HydrophobicContact CE1-CD1 3.76Å; Y51-I61 HydrophobicContact CE1-CG1 3.84Å; Y51-I61 PolarHBondContact OH-N 3.24Å
52	N	93.5	Very high	94.2	Very high	44 Å²	44	54.5 Å²	54.5	24%	0.235	35%	0.348	C	S	.	.			trans	-65.8	124	162.4	-174.3	-33.5	0	0	0	108.9	W39 L40 A54 L55 M56	W39-N52 HydrophobicContact CE3-CB 4.04Å; W39-N52 HydrophobicContact CZ3-CB 4.21Å; W39-N52 VanDerWaalsContact O-CB 3.32Å; W39-N52 WeakPolarHBondContact O-CB 3.24Å; W39-N52 PolarHBondContact O-ND2 2.91Å; L40-N52 PolarHBondContact O-N 2.78Å; N52-A54 PolarHBondContact O-N 3.09Å; N52-A54 VanDerWaalsContact O-N 3.16Å; N52-A54 WeakPolarHBondContact OD1-CB 3.39Å; N52-A54 PolarHBondContact OD1-N 2.86Å; N52-L55 PolarHBondContact O-N 2.84Å; N52-M56 PolarHBondContact O-N 2.9Å
53	S	90.6	Very high	94.1	Very high	91 Å²	91	56.5 Å²	56.5	64%	0.636	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.1	-176.1	53	0	0	0	0	113.1	Y51 L55	Y51-S53 PolarHBondContact O-N 2.79Å; S53-L55 PolarHBondContact O-N 2.59Å
54	A	87	Confident	94.1	Very high	78 Å²	78	58 Å²	58	65%	0.645	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-22	178.1	0	0	0	0	0	113.5	N52	N52-A54 PolarHBondContact O-N 3.09Å; N52-A54 VanDerWaalsContact O-N 3.16Å; N52-A54 WeakPolarHBondContact OD1-CB 3.39Å; N52-A54 PolarHBondContact OD1-N 2.86Å
55	L	84.9	Confident	94	Very high	15 Å²	15	56.6 Å²	56.6	8%	0.079	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-9.6	-172.2	-61.3	171.9	0	0	0	113.1	L40 N52 S53 S57 R58 L59	L40-L55 HydrophobicContact CD2-CD1 3.35Å; N52-L55 PolarHBondContact O-N 2.84Å; S53-L55 PolarHBondContact O-N 2.59Å; L55-S57 PolarHBondContact O-N 2.89Å; L55-R58 PolarHBondContact O-N 3.03Å; L55-L59 HydrophobicContact CB-CD1 3.57Å; L55-L59 HydrophobicContact CB-CG 3.94Å; L55-L59 HydrophobicContact CD1-CD1 4.49Å; L55-L59 WeakPolarHBondContact O-CG 3.28Å; L55-L59 PolarHBondContact O-N 2.83Å
56	M	88.1	Confident	93.9	Very high	114 Å²	114	60 Å²	60	56%	0.562	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-30	-171.6	71.2	177.7	151.3	0	0	114.8	Y51 N52 R58	Y51-M56 HydrophobicContact CG-CB 4.3Å; N52-M56 PolarHBondContact O-N 2.9Å; M56-R58 PolarHBondContact O-N 3.5Å
57	S	89.8	Confident	94	Very high	109 Å²	109	62.3 Å²	62.3	76%	0.762	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-18.7	-179.8	59.8	0	0	0	0	113.4	L55	L55-S57 PolarHBondContact O-N 2.89Å
58	R	91.6	Very high	94	Very high	35 Å²	35	62.7 Å²	62.7	13%	0.132	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-13.2	-175.4	-59.9	-168.8	-60.2	122.7	1.1	113.5	L55 M56 M74 N75 S76 D81	L55-R58 PolarHBondContact O-N 3.03Å; M56-R58 PolarHBondContact O-N 3.5Å; R58-M74 WeakPolarHBondContact O-CA 3.34Å; R58-N75 PolarHBondContact O-N 3.38Å; R58-S76 PolarHBondContact NH1-O 2.88Å; R58-D81 IonicContact CZ-OD1 3.81Å; R58-D81 IonicContact CZ-OD2 3.49Å; R58-D81 IonicContact NH1-OD1 3.73Å; R58-D81 IonicContact NH1-OD2 2.7Å; R58-D81 PolarHBondContact NH1-OD2 3.37Å; R58-D81 IonicContact NH2-OD1 2.93Å; R58-D81 PolarHBondContact NH2-OD1 3.31Å; R58-D81 IonicContact NH2-OD2 3.35Å; R58-D81 PolarHBondContact NH2-OD2 2.73Å
59	L	92.7	Very high	94.1	Very high	16 Å²	16	61.7 Å²	61.7	8%	0.084	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	145.3	-175.9	-62.1	-177.5	0	0	0	112.2	L40 Y51 L55 L72 K73 M74	L40-L59 HydrophobicContact CB-CD1 4Å; L40-L59 HydrophobicContact CD2-CD1 4.4Å; L40-L59 WeakPolarHBondContact O-CD1 3.48Å; Y51-L59 HydrophobicContact CD1-CB 3.91Å; Y51-L59 HydrophobicContact CD1-CD1 4.49Å; Y51-L59 HydrophobicContact CE1-CB 4.13Å; L55-L59 HydrophobicContact CB-CD1 3.57Å; L55-L59 HydrophobicContact CB-CG 3.94Å; L55-L59 HydrophobicContact CD1-CD1 4.49Å; L55-L59 WeakPolarHBondContact O-CG 3.28Å; L55-L59 PolarHBondContact O-N 2.83Å; L59-L72 HydrophobicContact CD2-CD1 4.22Å; L59-K73 CarbonylContact C-O 3.51Å; L59-K73 WeakPolarHBondContact CA-O 3.36Å; L59-M74 HydrophobicContact CD2-CB 4.15Å; L59-M74 HydrophobicContact CD2-CG 3.37Å; L59-M74 HydrophobicContact CD2-SD 3.52Å; L59-M74 VanDerWaalsContact CD2-SD 3.52Å
60	S	95.4	Very high	94.1	Very high	52 Å²	52	59.2 Å²	59.2	36%	0.364	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	127.4	166.2	176.8	0	0	0	0	108.8	K73	S60-K73 PolarHBondContact N-O 3.17Å; S60-K73 PolarHBondContact O-N 3.24Å
61	I	97	Very high	94.1	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.041	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.9	176.3	-60	161.5	0	0	0	108.4	W28 I43 T49 Y51 V70 F71 L72	W28-I61 HydrophobicContact CG-CD1 4.5Å; I43-I61 HydrophobicContact CB-CG2 3.69Å; I43-I61 HydrophobicContact CG2-CG2 3.66Å; T49-I61 HydrophobicContact CG2-CB 4.42Å; Y51-I61 HydrophobicContact CD1-CD1 4.07Å; Y51-I61 HydrophobicContact CE1-CB 4.23Å; Y51-I61 HydrophobicContact CE1-CD1 3.76Å; Y51-I61 HydrophobicContact CE1-CG1 3.84Å; Y51-I61 PolarHBondContact OH-N 3.24Å; I61-V70 HydrophobicContact CG2-CG1 4.05Å; I61-F71 WeakPolarHBondContact CA-O 3.31Å; I61-L72 HydrophobicContact CD1-CD1 4.46Å; I61-L72 HydrophobicContact CG1-CD1 3.77Å
62	S	97.3	Very high	94.2	Very high	58 Å²	58	54.4 Å²	54.4	41%	0.406	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	167.9	175.1	66	0	0	0	0	110.8	V70 F71	S62-V70 CarbonylContact O-C 3.59Å; S62-V70 WeakPolarHBondContact O-CA 3.36Å; S62-V70 WeakPolarHBondContact O-CG1 3.48Å; S62-F71 PolarHBondContact N-O 2.89Å; S62-F71 PolarHBondContact O-N 2.85Å
63	K	97.2	Very high	94.2	Very high	43 Å²	43	57 Å²	57	19%	0.187	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	151	177.3	71	-177.2	-172.9	177.9	0	112	L21 I43 W44 A45 N65 Q69 V70	L21-K63 HydrophobicContact CB-CD 4.44Å; L21-K63 HydrophobicContact CD1-CB 4.41Å; L21-K63 PolarHBondContact O-NZ 3.06Å; I43-K63 HydrophobicContact CD1-CB 4.07Å; I43-K63 HydrophobicContact CD1-CD 3.93Å; I43-K63 HydrophobicContact CD1-CG 3.75Å; I43-K63 HydrophobicContact CG1-CD 4.13Å; I43-K63 HydrophobicContact CG1-CG 4.49Å; I43-K63 HydrophobicContact CG2-CD 4.44Å; W44-K63 PolarHBondContact O-NZ 3.35Å; A45-K63 VanDerWaalsContact C-NZ 3.3Å; A45-K63 PolarHBondContact O-NZ 2.7Å; K63-N65 WeakPolarHBondContact CD-OD1 3.42Å; K63-N65 VanDerWaalsContact CE-OD1 3.29Å; K63-N65 WeakPolarHBondContact CE-OD1 3.32Å; K63-Q69 CarbonylContact C-O 3.59Å; K63-Q69 VanDerWaalsContact CA-O 3.31Å; K63-Q69 WeakPolarHBondContact CA-O 3.5Å; K63-V70 HydrophobicContact CB-CG2 4.12Å
64	D	97.1	Very high	94.3	Very high	40 Å²	40	52.8 Å²	52.8	21%	0.214	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	101.7	170	-175.8	-17.9	0	0	0	108.1	S66 K67 S68 Q69 F71	D64-S66 PolarHBondContact O-N 3.25Å; D64-S66 WeakPolarHBondContact OD1-CB 3.36Å; D64-S66 PolarHBondContact OD1-N 2.86Å; D64-S66 PolarHBondContact OD1-OG 2.02Å; D64-K67 HydrophobicContact CB-CB 4.33Å; D64-K67 PolarHBondContact O-N 3.36Å; D64-K67 PolarHBondContact OD1-N 2.89Å; D64-K67 WeakPolarHBondContact OD2-CD 2.97Å; D64-K67 VanDerWaalsContact OD2-CE 3.28Å; D64-K67 WeakPolarHBondContact OD2-CE 3.07Å; D64-K67 WeakPolarHBondContact OD2-CG 3.01Å; D64-K67 IonicContact OD2-NZ 3.41Å; D64-K67 PolarHBondContact OD2-NZ 2.92Å; D64-S68 PolarHBondContact O-N 2.88Å; D64-S68 VanDerWaalsContact O-N 3.08Å; D64-Q69 PolarHBondContact N-O 3.21Å; D64-Q69 PolarHBondContact O-N 3.03Å; D64-F71 HydrophobicContact CB-CE2 3.92Å
65	N	96.3	Very high	94.5	Very high	71 Å²	71	51.8 Å²	51.8	38%	0.38	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.5	-179	-64.2	-18.4	0	0	0	111.7	L21 T22 K63 K67 S68	L21-N65 VanDerWaalsContact CB-OD1 3.31Å; L21-N65 WeakPolarHBondContact CB-OD1 3.3Å; T22-N65 HydrophobicContact CG2-CB 4.28Å; T22-N65 WeakPolarHBondContact CG2-ND2 3.25Å; K63-N65 WeakPolarHBondContact CD-OD1 3.42Å; K63-N65 VanDerWaalsContact CE-OD1 3.29Å; K63-N65 WeakPolarHBondContact CE-OD1 3.32Å; N65-K67 PolarHBondContact O-N 2.88Å; N65-S68 PolarHBondContact O-N 2.83Å
66	S	95.9	Very high	94.5	Very high	106 Å²	106	54.6 Å²	54.6	74%	0.741	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-29.6	-178.6	73.9	0	0	0	0	112.1	D64	D64-S66 PolarHBondContact O-N 3.25Å; D64-S66 WeakPolarHBondContact OD1-CB 3.36Å; D64-S66 PolarHBondContact OD1-N 2.86Å; D64-S66 PolarHBondContact OD1-OG 2.02Å
67	K	96.8	Very high	94.5	Very high	125 Å²	125	49.9 Å²	49.9	54%	0.543	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-1.9	178.7	-62.7	-178.8	-169.1	157.1	0	113.6	D64 N65 Q69	D64-K67 HydrophobicContact CB-CB 4.33Å; D64-K67 PolarHBondContact O-N 3.36Å; D64-K67 PolarHBondContact OD1-N 2.89Å; D64-K67 WeakPolarHBondContact OD2-CD 2.97Å; D64-K67 VanDerWaalsContact OD2-CE 3.28Å; D64-K67 WeakPolarHBondContact OD2-CE 3.07Å; D64-K67 WeakPolarHBondContact OD2-CG 3.01Å; D64-K67 IonicContact OD2-NZ 3.41Å; D64-K67 PolarHBondContact OD2-NZ 2.92Å; N65-K67 PolarHBondContact O-N 2.88Å; K67-Q69 HydrophobicContact CB-CB 4.22Å; K67-Q69 HydrophobicContact CB-CG 4.12Å; K67-Q69 PolarHBondContact O-N 3.33Å
68	S	96.9	Very high	94.3	Very high	43 Å²	43	49.8 Å²	49.8	30%	0.301	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	43	-170.8	-59.4	0	0	0	0	112	T15 V16 D64 N65	T15-S68 WeakPolarHBondContact CA-O 3.4Å; V16-S68 WeakPolarHBondContact CG2-O 3.39Å; V16-S68 PolarHBondContact N-O 2.89Å; D64-S68 PolarHBondContact O-N 2.88Å; D64-S68 VanDerWaalsContact O-N 3.08Å; N65-S68 PolarHBondContact O-N 2.83Å
69	Q	98.1	Very high	94	Very high	48 Å²	48	53.2 Å²	53.2	22%	0.224	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.4	-176.6	-78	175.2	-9.1	0	0	112.4	T13 C14 T15 L21 K63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.21Å; T13-Q69 HydrophobicContact CG2-CG 3.92Å; C14-Q69 CarbonylContact O-C 3.49Å; C14-Q69 WeakPolarHBondContact O-CA 3.48Å; T15-Q69 HydrophobicContact CG2-CG 4.3Å; T15-Q69 PolarHBondContact OG1-NE2 2.8Å; L21-Q69 WeakPolarHBondContact CD1-O 3.34Å; K63-Q69 CarbonylContact C-O 3.59Å; K63-Q69 VanDerWaalsContact CA-O 3.31Å; K63-Q69 WeakPolarHBondContact CA-O 3.5Å; D64-Q69 PolarHBondContact N-O 3.21Å; D64-Q69 PolarHBondContact O-N 3.03Å; K67-Q69 HydrophobicContact CB-CB 4.22Å; K67-Q69 HydrophobicContact CB-CG 4.12Å; K67-Q69 PolarHBondContact O-N 3.33Å; Q69-F71 HydrophobicContact CB-CE1 4.32Å; Q69-F71 HydrophobicContact CB-CE2 3.93Å; Q69-F71 HydrophobicContact CB-CZ 3.64Å
70	V	97.9	Very high	93.7	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.9	170.8	-174	0	0	0	0	108.1	C14 L21 V26 W28 I43 I61 S62 K63	C14-V70 PolarHBondContact N-O 3.04Å; C14-V70 PolarHBondContact O-N 3.26Å; L21-V70 HydrophobicContact CD1-CG2 3.88Å; L21-V70 HydrophobicContact CD2-CG2 3.61Å; L21-V70 HydrophobicContact CG-CG2 4.43Å; V26-V70 HydrophobicContact CB-CG1 4.36Å; V26-V70 HydrophobicContact CB-CG2 3.94Å; V26-V70 HydrophobicContact CG1-CB 4.37Å; V26-V70 HydrophobicContact CG1-CG1 4.33Å; V26-V70 HydrophobicContact CG1-CG2 4.19Å; V26-V70 HydrophobicContact CG2-CG2 3.82Å; W28-V70 HydrophobicContact CZ2-CB 4.33Å; W28-V70 HydrophobicContact CZ2-CG1 4.09Å; W28-V70 WeakPolarHBondContact CZ2-O 3.29Å; I43-V70 HydrophobicContact CG2-CG1 3.73Å; I61-V70 HydrophobicContact CG2-CG1 4.05Å; S62-V70 CarbonylContact O-C 3.59Å; S62-V70 WeakPolarHBondContact O-CA 3.36Å; S62-V70 WeakPolarHBondContact O-CG1 3.48Å; K63-V70 HydrophobicContact CB-CG2 4.12Å
71	F	97.5	Very high	93.3	Very high	47 Å²	47	56 Å²	56	21%	0.206	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135	-176.5	-51.6	-87.1	0	0	0	109.9	I12 T13 I61 S62 D64 Q69	I12-F71 CarbonylContact O-C 3.57Å; I12-F71 WeakPolarHBondContact O-CA 3.33Å; T13-F71 HydrophobicContact CG2-CD1 3.95Å; T13-F71 HydrophobicContact CG2-CE1 3.6Å; T13-F71 HydrophobicContact CG2-CZ 4.39Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.21Å; I61-F71 WeakPolarHBondContact CA-O 3.31Å; S62-F71 PolarHBondContact N-O 2.89Å; S62-F71 PolarHBondContact O-N 2.85Å; D64-F71 HydrophobicContact CB-CE2 3.92Å; Q69-F71 HydrophobicContact CB-CE1 4.32Å; Q69-F71 HydrophobicContact CB-CE2 3.93Å; Q69-F71 HydrophobicContact CB-CZ 3.64Å
72	L	96.6	Very high	93	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.5	167	176.4	69.5	0	0	0	108.1	S11 I12 W28 L40 L59 I61 M74 Y85	S11-L72 CarbonylContact C-O 3.56Å; S11-L72 WeakPolarHBondContact CA-O 3.33Å; I12-L72 HydrophobicContact CB-CB 4.39Å; I12-L72 HydrophobicContact CD1-CD2 4.32Å; I12-L72 PolarHBondContact N-O 3.38Å; I12-L72 PolarHBondContact O-N 3.21Å; W28-L72 HydrophobicContact CB-CD1 4.48Å; W28-L72 HydrophobicContact CB-CD2 4.43Å; W28-L72 HydrophobicContact CD2-CB 3.65Å; W28-L72 HydrophobicContact CD2-CD2 4.02Å; W28-L72 HydrophobicContact CD2-CG 4.28Å; W28-L72 HydrophobicContact CE3-CB 3.9Å; W28-L72 HydrophobicContact CE3-CD2 3.81Å; W28-L72 HydrophobicContact CE3-CG 4.45Å; W28-L72 HydrophobicContact CG-CB 4.19Å; W28-L72 HydrophobicContact CG-CD1 4.23Å; W28-L72 HydrophobicContact CG-CD2 4.3Å; W28-L72 HydrophobicContact CG-CG 4.49Å; W28-L72 HydrophobicContact CH2-CB 3.93Å; W28-L72 HydrophobicContact CZ2-CB 3.71Å; W28-L72 HydrophobicContact CZ3-CB 4.03Å; W28-L72 HydrophobicContact CZ3-CD2 4.36Å; L40-L72 HydrophobicContact CD1-CD2 3.76Å; L59-L72 HydrophobicContact CD2-CD1 4.22Å; I61-L72 HydrophobicContact CD1-CD1 4.46Å; I61-L72 HydrophobicContact CG1-CD1 3.77Å; L72-M74 HydrophobicContact CD1-CG 4.45Å; L72-M74 HydrophobicContact CD2-CG 4.32Å; L72-M74 HydrophobicContact CD2-SD 4.24Å; L72-M74 HydrophobicContact CG-CG 4.07Å; L72-Y85 HydrophobicContact CD2-CD1 3.84Å; L72-Y85 HydrophobicContact CD2-CE1 4.18Å
73	K	94.6	Very high	92.9	Very high	99 Å²	99	58.2 Å²	58.2	43%	0.43	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.4	170.6	-172.4	176.6	-178.2	-178.8	0	109.6	L10 L59 S60 N75	L10-K73 CarbonylContact O-C 3.54Å; L10-K73 VanDerWaalsContact O-CA 3.31Å; L10-K73 WeakPolarHBondContact O-CA 3.46Å; L59-K73 CarbonylContact C-O 3.51Å; L59-K73 WeakPolarHBondContact CA-O 3.36Å; S60-K73 PolarHBondContact N-O 3.17Å; S60-K73 PolarHBondContact O-N 3.24Å; K73-N75 WeakPolarHBondContact CE-OD1 3.48Å
74	M	92.1	Very high	92.8	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.5	174.7	-52.2	-163	-75.3	0	0	109.1	S9 L10 R58 L59 L72 L77 Y85	S9-M74 CarbonylContact C-O 3.54Å; S9-M74 WeakPolarHBondContact CA-O 3.31Å; L10-M74 HydrophobicContact CB-CE 4.38Å; L10-M74 HydrophobicContact CD2-CE 3.68Å; L10-M74 HydrophobicContact CG-CE 4.44Å; L10-M74 PolarHBondContact N-O 3.02Å; L10-M74 PolarHBondContact O-N 3.08Å; R58-M74 WeakPolarHBondContact O-CA 3.34Å; L59-M74 HydrophobicContact CD2-CB 4.15Å; L59-M74 HydrophobicContact CD2-CG 3.37Å; L59-M74 HydrophobicContact CD2-SD 3.52Å; L59-M74 VanDerWaalsContact CD2-SD 3.52Å; L72-M74 HydrophobicContact CD1-CG 4.45Å; L72-M74 HydrophobicContact CD2-CG 4.32Å; L72-M74 HydrophobicContact CD2-SD 4.24Å; L72-M74 HydrophobicContact CG-CG 4.07Å; M74-L77 HydrophobicContact CB-CD2 4.02Å; M74-L77 HydrophobicContact CE-CD2 3.88Å; M74-Y85 HydrophobicContact CE-CD1 4.34Å; M74-Y85 HydrophobicContact CE-CE1 3.39Å; M74-Y85 HydrophobicContact CE-CE2 4.21Å; M74-Y85 WeakPolarHBondContact CE-OH 3.33Å; M74-Y85 HydrophobicContact SD-CE1 3.79Å
75	N	90.2	Very high	92.7	Very high	57 Å²	57	61.8 Å²	61.8	31%	0.305	34%	0.335	S	S	.	.			trans	-98.5	155.2	177	-56.1	-43.2	0	0	0	110.2	S9 R58 K73 L77	S9-N75 PolarHBondContact OG-OD1 3.24Å; R58-N75 PolarHBondContact O-N 3.38Å; K73-N75 WeakPolarHBondContact CE-OD1 3.48Å; N75-L77 PolarHBondContact O-N 3.19Å
76	S	86.6	Confident	92.7	Very high	74 Å²	74	62.9 Å²	62.9	52%	0.517	34%	0.335	S	S	.	.	S	Bend	trans	52.7	58.7	176.6	-54.2	0	0	0	0	112.1	R58 Q78	R58-S76 PolarHBondContact NH1-O 2.88Å; S76-Q78 PolarHBondContact O-N 2.85Å
77	L	86.4	Confident	92.7	Very high	16 Å²	16	60.4 Å²	60.4	8%	0.084	32%	0.316	C	S	.	.			trans	-58.7	136.7	178.8	-68.4	165.9	0	0	0	111.3	V4 S7 Q8 L10 M74 N75 D81	V4-L77 HydrophobicContact CB-CD1 3.88Å; V4-L77 HydrophobicContact CG2-CD1 3.57Å; S7-L77 PolarHBondContact N-O 2.8Å; Q8-L77 WeakPolarHBondContact O-CD1 3.45Å; Q8-L77 VanDerWaalsContact O-CG 3.3Å; Q8-L77 WeakPolarHBondContact O-CG 3.29Å; Q8-L77 PolarHBondContact O-N 2.79Å; L10-L77 HydrophobicContact CB-CD1 3.71Å; L10-L77 HydrophobicContact CB-CD2 3.95Å; L10-L77 HydrophobicContact CB-CG 4.28Å; M74-L77 HydrophobicContact CB-CD2 4.02Å; M74-L77 HydrophobicContact CE-CD2 3.88Å; N75-L77 PolarHBondContact O-N 3.19Å; L77-D81 HydrophobicContact CD2-CB 4.17Å
78	Q	87.5	Confident	92.7	Very high	107 Å²	107	56.6 Å²	56.6	50%	0.5	31%	0.309	S	S	.	.			trans	-112.9	161.9	175.9	-60.7	177.6	-3.3	0	0	109.5	S76 D80 D81	S76-Q78 PolarHBondContact O-N 2.85Å; Q78-D80 PolarHBondContact O-N 2.8Å; Q78-D81 PolarHBondContact N-OD2 2.97Å; Q78-D81 WeakPolarHBondContact O-CB 3.45Å; Q78-D81 PolarHBondContact O-N 2.8Å
79	T	84.8	Confident	92.7	Very high	107 Å²	107	61.3 Å²	61.3	66%	0.656	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-55.9	-36.3	177.8	-41.5	0	0	0	0	111.8	D81 T82	T79-D81 PolarHBondContact O-N 2.71Å; T79-T82 VanDerWaalsContact O-CB 3.29Å; T79-T82 WeakPolarHBondContact O-CB 3.48Å; T79-T82 PolarHBondContact O-N 3.37Å; T79-T82 PolarHBondContact O-OG1 3.29Å
80	D	85.3	Confident	92.3	Very high	117 Å²	117	62.5 Å²	62.5	63%	0.626	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-68.3	-12.3	178.3	-69	-0.1	0	0	0	113.9	Q78 T82	Q78-D80 PolarHBondContact O-N 2.8Å; D80-T82 PolarHBondContact O-N 3.37Å
81	D	88.3	Confident	92.1	Very high	9 Å²	9	65.7 Å²	65.7	5%	0.048	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-82.4	-0.1	172.5	-57.5	-45.5	0	0	0	112.2	R30 R58 L77 Q78 T79 A83 Y85	R30-D81 IonicContact CZ-OD1 3.3Å; R30-D81 IonicContact NH1-OD1 2.89Å; R30-D81 PolarHBondContact NH1-OD1 2.78Å; R58-D81 IonicContact CZ-OD1 3.81Å; R58-D81 IonicContact CZ-OD2 3.49Å; R58-D81 IonicContact NH1-OD1 3.73Å; R58-D81 IonicContact NH1-OD2 2.7Å; R58-D81 PolarHBondContact NH1-OD2 3.37Å; R58-D81 IonicContact NH2-OD1 2.93Å; R58-D81 PolarHBondContact NH2-OD1 3.31Å; R58-D81 IonicContact NH2-OD2 3.35Å; R58-D81 PolarHBondContact NH2-OD2 2.73Å; L77-D81 HydrophobicContact CD2-CB 4.17Å; Q78-D81 PolarHBondContact N-OD2 2.97Å; Q78-D81 WeakPolarHBondContact O-CB 3.45Å; Q78-D81 PolarHBondContact O-N 2.8Å; T79-D81 PolarHBondContact O-N 2.71Å; D81-A83 PolarHBondContact O-N 3.05Å; D81-A83 VanDerWaalsContact O-N 3.07Å; D81-Y85 PolarHBondContact O-OH 3.08Å
82	T	90.9	Very high	91.8	Very high	92 Å²	92	66.6 Å²	66.6	56%	0.564	36%	0.363	S	S	*	.			trans	-68.1	106.2	172.2	-55.5	0	0	0	0	109.6	P33 T79 D80	P33-T82 VanDerWaalsContact CD-O 3.25Å; P33-T82 WeakPolarHBondContact CD-O 3.48Å; T79-T82 VanDerWaalsContact O-CB 3.29Å; T79-T82 WeakPolarHBondContact O-CB 3.48Å; T79-T82 PolarHBondContact O-N 3.37Å; T79-T82 PolarHBondContact O-OG1 3.29Å; D80-T82 PolarHBondContact O-N 3.37Å
83	A	93.6	Very high	91.5	Very high	21 Å²	21	70.3 Å²	70.3	17%	0.174	38%	0.383	C	S	.	.	S	Bend	trans	-157.1	164.6	-176.1	0	0	0	0	0	110.9	R30 Q31 P32 D81 Y85	R30-A83 HydrophobicContact CB-CB 3.85Å; R30-A83 HydrophobicContact CG-CB 4.24Å; Q31-A83 WeakPolarHBondContact O-CA 3.32Å; Q31-A83 WeakPolarHBondContact O-CB 3.36Å; P32-A83 HydrophobicContact CB-CB 4.47Å; P32-A83 HydrophobicContact CG-CB 4.28Å; D81-A83 PolarHBondContact O-N 3.05Å; D81-A83 VanDerWaalsContact O-N 3.07Å; A83-Y85 HydrophobicContact CB-CE2 3.94Å; A83-Y85 WeakPolarHBondContact O-CD2 3.31Å; A83-Y85 VanDerWaalsContact O-CE2 3.3Å; A83-Y85 WeakPolarHBondContact O-CE2 3.41Å
84	M	95.1	Very high	91.3	Very high	115 Å²	115	68.6 Å²	68.6	57%	0.567	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	136.4	159.9	-68.3	-58.7	-63.3	0	0	109.2	R30 Q31 Y86	R30-M84 CarbonylContact C-O 3.56Å; R30-M84 WeakPolarHBondContact CA-O 3.43Å; Q31-M84 HydrophobicContact CB-CB 4.48Å; Q31-M84 PolarHBondContact N-O 3.07Å; Q31-M84 PolarHBondContact O-N 3.48Å; M84-Y86 HydrophobicContact CB-CE2 3.57Å; M84-Y86 VanDerWaalsContact CB-OH 3.3Å; M84-Y86 WeakPolarHBondContact CB-OH 3.4Å
85	Y	95.6	Very high	91.3	Very high	43 Å²	43	72.9 Å²	72.9	17%	0.169	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.7	-179.3	-71.2	-96.9	0	0	0	110	I12 R30 L40 L72 M74 D81 A83	I12-Y85 HydrophobicContact CD1-CD1 3.7Å; I12-Y85 HydrophobicContact CD1-CD2 3.77Å; I12-Y85 HydrophobicContact CD1-CE1 4.37Å; I12-Y85 HydrophobicContact CD1-CE2 4.45Å; I12-Y85 HydrophobicContact CD1-CG 3.38Å; R30-Y85 HydrophobicContact CB-CD1 3.9Å; R30-Y85 HydrophobicContact CB-CE1 3.8Å; R30-Y85 HydrophobicContact CB-CG 4.41Å; L40-Y85 HydrophobicContact CD1-CD1 3.85Å; L40-Y85 HydrophobicContact CD1-CE1 3.73Å; L72-Y85 HydrophobicContact CD2-CD1 3.84Å; L72-Y85 HydrophobicContact CD2-CE1 4.18Å; M74-Y85 HydrophobicContact CE-CD1 4.34Å; M74-Y85 HydrophobicContact CE-CE1 3.39Å; M74-Y85 HydrophobicContact CE-CE2 4.21Å; M74-Y85 WeakPolarHBondContact CE-OH 3.33Å; M74-Y85 HydrophobicContact SD-CE1 3.79Å; D81-Y85 PolarHBondContact O-OH 3.08Å; A83-Y85 HydrophobicContact CB-CE2 3.94Å; A83-Y85 WeakPolarHBondContact O-CD2 3.31Å; A83-Y85 VanDerWaalsContact O-CE2 3.3Å; A83-Y85 WeakPolarHBondContact O-CE2 3.41Å
86	Y	96.3	Very high	91.4	Very high	94 Å²	94	73.9 Å²	73.9	37%	0.369	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.3	-176.1	-54.7	-83.5	0	0	0	109.7	W28 V29 Q31 L37 M84	W28-Y86 WeakPolarHBondContact CA-O 3.48Å; V29-Y86 PolarHBondContact N-O 3.41Å; V29-Y86 PolarHBondContact O-N 3.3Å; Q31-Y86 HydrophobicContact CB-CE2 3.88Å; L37-Y86 HydrophobicContact CD2-CD2 4.45Å; L37-Y86 HydrophobicContact CD2-CE2 4.43Å; M84-Y86 HydrophobicContact CB-CE2 3.57Å; M84-Y86 VanDerWaalsContact CB-OH 3.3Å; M84-Y86 WeakPolarHBondContact CB-OH 3.4Å
87	C	95.9	Very high	91.7	Very high	53 Å²	53	73.9 Å²	73.9	36%	0.358	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.9	163.4	56.7	0	0	0	0	109.5	C14 V26 H27 W28	C14-C87 HydrophobicContact CB-CB 3.5Å; C14-C87 WeakPolarHBondContact CB-SG 3.28Å; C14-C87 WeakPolarHBondContact SG-CB 3.43Å; C14-C87 CovalentContact SG-SG 2.02Å; C14-C87 PolarHBondContact SG-SG 2.59Å; V26-C87 HydrophobicContact CG1-CB 3.89Å; H27-C87 CarbonylContact O-C 3.4Å; H27-C87 VanDerWaalsContact O-CA 3.24Å; H27-C87 WeakPolarHBondContact O-CA 3.13Å; W28-C87 HydrophobicContact CE3-CB 4.29Å; W28-C87 HydrophobicContact CH2-CB 4.39Å; W28-C87 HydrophobicContact CZ3-CB 4.23Å
88	A	96.5	Very high	92.1	Very high	46 Å²	46	78.4 Å²	78.4	38%	0.38	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	139.8	-179.7	0	0	0	0	0	110.5	V26 H27	V26-A88 CarbonylContact C-O 3.56Å; V26-A88 WeakPolarHBondContact CA-O 3.41Å; H27-A88 HydrophobicContact CB-CB 4.47Å; H27-A88 PolarHBondContact N-O 2.94Å; H27-A88 PolarHBondContact O-N 2.84Å
89	R	96.4	Very high	92.5	Very high	142 Å²	142	76 Å²	76	54%	0.536	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	137.5	172.5	-167.6	-172	70.7	-166.3	-2.2	109.3	F19 Y24	F19-R89 HydrophobicContact CD1-CG 4.14Å; F19-R89 HydrophobicContact CD2-CG 4Å; F19-R89 HydrophobicContact CE1-CB 3.95Å; F19-R89 HydrophobicContact CE1-CG 3.94Å; F19-R89 HydrophobicContact CE2-CB 4.42Å; F19-R89 HydrophobicContact CE2-CG 3.79Å; F19-R89 HydrophobicContact CG-CG 4.15Å; F19-R89 HydrophobicContact CZ-CB 3.88Å; F19-R89 HydrophobicContact CZ-CG 3.74Å; Y24-R89 HydrophobicContact CD1-CG 3.91Å; Y24-R89 HydrophobicContact CG-CG 3.95Å
90	A	91.4	Very high	93.2	Very high	73 Å²	73	73.2 Å²	73.2	60%	0.603	40%	0.399	S	S	*	.			trans	-67.4	0	168.8	0	0	0	0	0	112.3	G25 H27 W44	G25-A90 PolarHBondContact O-N 3.32Å; H27-A90 WeakPolarHBondContact NE2-CB 3.19Å; W44-A90 HydrophobicContact CZ3-CB 3.99Å

Retrieved 90 of 90 residues in 18.8 ms (Link to these results)

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