X5J4W5_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4W5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 92 aa.

						>X5J4W5_MOUSE|X5J4W5
PGLVAPSQSLSITCTVSGFSLSRYSVHWVRQPPGKGLEWLGMIWGGGSTDYNSALKSRLSISKDNSRSQVFLKLNSLQTDDTATYYCAKPEG
					

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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	50.3	Low	68.8	Low	186 Å²	186	94.1 Å²	94.1	100%	1.208	61%	0.611	S	S	*	*				0	116.8	0	-0.6	21.8	0	0	0	110
2	G	61.1	Low	70.9	Confident	72 Å²	72	89.6 Å²	89.6	74%	0.742	58%	0.577	S	S	*	*			trans	-93.5	132.7	-179.4	0	0	0	0	0	111.6
3	L	58.9	Low	72.9	Confident	187 Å²	187	88.2 Å²	88.2	98%	0.979	57%	0.566	S	S	*	*			trans	-70.4	122	166.8	-81.6	129.1	0	0	0	108.7
4	V	61	Low	74.6	Confident	65 Å²	65	82.4 Å²	82.4	39%	0.394	53%	0.53	S	S	.	.			trans	-104.6	137.9	175	-105.6	0	0	0	0	109.3	Q8 L10 L77	V4-Q8 HydrophobicContact CG1-CB 4.44Å; V4-L10 HydrophobicContact CG2-CD1 4.08Å; V4-L77 HydrophobicContact CB-CD1 3.66Å; V4-L77 HydrophobicContact CG1-CD1 4.27Å; V4-L77 HydrophobicContact CG2-CD1 3.62Å
5	A	62.1	Low	76	Confident	48 Å²	48	83.3 Å²	83.3	40%	0.397	53%	0.534	S	S	.	.			trans	-76.6	152.2	178.9	0	0	0	0	0	111.4	Q8	A5-Q8 HydrophobicContact CB-CG 4.45Å; A5-Q8 WeakPolarHBondContact O-CB 3.45Å; A5-Q8 PolarHBondContact O-N 3.25Å; A5-Q8 VanDerWaalsContact O-N 3.16Å
6	P	57.6	Low	77.1	Confident	91 Å²	91	79.1 Å²	79.1	59%	0.591	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	143.2	171.5	-20.2	31	0	0	0	110.2	Q8	P6-Q8 VanDerWaalsContact C-N 3.32Å
7	S	62.4	Low	78	Confident	109 Å²	109	80.8 Å²	80.8	76%	0.762	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-7	-172.9	-18.1	0	0	0	0	116.8	L77	S7-L77 PolarHBondContact N-O 2.69Å
8	Q	78.4	Confident	78.7	Confident	102 Å²	102	81.3 Å²	81.3	48%	0.477	54%	0.543	S	S	.	.	S	Bend	trans	-83	166.1	169.5	-68.1	-178	-26.3	0	0	111.4	V4 A5 P6 L77	V4-Q8 HydrophobicContact CG1-CB 4.44Å; A5-Q8 HydrophobicContact CB-CG 4.45Å; A5-Q8 WeakPolarHBondContact O-CB 3.45Å; A5-Q8 PolarHBondContact O-N 3.25Å; A5-Q8 VanDerWaalsContact O-N 3.16Å; P6-Q8 VanDerWaalsContact C-N 3.32Å; Q8-L77 WeakPolarHBondContact O-CD1 3.44Å; Q8-L77 VanDerWaalsContact O-CG 3.32Å; Q8-L77 WeakPolarHBondContact O-CG 3.21Å; Q8-L77 PolarHBondContact O-N 3.36Å
9	S	84.8	Confident	79.3	Confident	64 Å²	64	79.3 Å²	79.3	45%	0.448	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-98	132.7	170.9	36.7	0	0	0	0	109.4	L74 N75	S9-L74 CarbonylContact C-O 3.56Å; S9-L74 VanDerWaalsContact CA-O 3.26Å; S9-L74 WeakPolarHBondContact CA-O 3.36Å; S9-N75 WeakPolarHBondContact CB-OD1 3.39Å
10	L	88	Confident	79.9	Confident	31 Å²	31	78.2 Å²	78.2	16%	0.162	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.3	170.6	175.9	60.6	0	0	0	108.4	V4 I12 K73 L74 L77 Y85	V4-L10 HydrophobicContact CG2-CD1 4.08Å; L10-I12 HydrophobicContact CD1-CG1 3.99Å; L10-I12 HydrophobicContact CD2-CD1 3.91Å; L10-I12 HydrophobicContact CD2-CG1 4.11Å; L10-I12 HydrophobicContact CG-CD1 4.21Å; L10-I12 HydrophobicContact CG-CG1 3.82Å; L10-K73 CarbonylContact O-C 3.55Å; L10-K73 VanDerWaalsContact O-CA 3.29Å; L10-K73 WeakPolarHBondContact O-CA 3.4Å; L10-L74 HydrophobicContact CB-CB 4.44Å; L10-L74 PolarHBondContact N-O 3.31Å; L10-L74 PolarHBondContact O-N 3.03Å; L10-L77 HydrophobicContact CB-CD1 3.82Å; L10-L77 HydrophobicContact CB-CD2 3.77Å; L10-L77 HydrophobicContact CB-CG 4.16Å; L10-L77 HydrophobicContact CD2-CD2 4.26Å; L10-Y85 HydrophobicContact CD2-CE2 4.03Å
11	S	92.1	Very high	80.5	Confident	80 Å²	80	74.6 Å²	74.6	56%	0.559	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.3	169.7	-171.4	0	0	0	0	108.9	L72	S11-L72 CarbonylContact C-O 3.6Å; S11-L72 WeakPolarHBondContact CA-O 3.36Å
12	I	94.8	Very high	82.6	Confident	40 Å²	40	68.5 Å²	68.5	21%	0.205	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.3	177.5	-48.9	-175.8	0	0	0	108.2	L10 W28 F71 L72 Y85	L10-I12 HydrophobicContact CD1-CG1 3.99Å; L10-I12 HydrophobicContact CD2-CD1 3.91Å; L10-I12 HydrophobicContact CD2-CG1 4.11Å; L10-I12 HydrophobicContact CG-CD1 4.21Å; L10-I12 HydrophobicContact CG-CG1 3.82Å; I12-W28 HydrophobicContact CB-CH2 4.13Å; I12-W28 HydrophobicContact CB-CZ3 4.19Å; I12-W28 HydrophobicContact CG2-CH2 3.87Å; I12-W28 HydrophobicContact CG2-CZ3 3.84Å; I12-F71 WeakPolarHBondContact O-CA 3.41Å; I12-L72 HydrophobicContact CB-CB 4.35Å; I12-L72 HydrophobicContact CD1-CD2 4.26Å; I12-L72 PolarHBondContact N-O 2.9Å; I12-L72 PolarHBondContact O-N 3.05Å; I12-Y85 VanDerWaalsContact CD1-CB 3.42Å; I12-Y85 HydrophobicContact CD1-CD1 3.75Å; I12-Y85 HydrophobicContact CD1-CD2 3.82Å; I12-Y85 HydrophobicContact CD1-CE1 4.46Å; I12-Y85 HydrophobicContact CD1-CG 3.38Å
13	T	96.9	Very high	84	Confident	71 Å²	71	75.2 Å²	75.2	44%	0.436	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.7	173.5	-55.9	0	0	0	0	109.4	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.2Å; T13-Q69 HydrophobicContact CG2-CG 3.96Å; T13-F71 HydrophobicContact CG2-CD1 3.97Å; T13-F71 HydrophobicContact CG2-CE1 3.6Å; T13-F71 HydrophobicContact CG2-CZ 4.39Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.38Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.33Å
14	C	96.1	Very high	85.5	Confident	8 Å²	8	71.4 Å²	71.4	5%	0.054	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.9	169.3	173.5	0	0	0	0	108.9	W28 Q69 V70 C87	C14-W28 HydrophobicContact CB-CH2 3.54Å; C14-W28 HydrophobicContact CB-CZ2 3.76Å; C14-W28 HydrophobicContact CB-CZ3 4.42Å; C14-Q69 CarbonylContact O-C 3.53Å; C14-Q69 WeakPolarHBondContact O-CA 3.39Å; C14-V70 HydrophobicContact CB-CB 4.48Å; C14-V70 PolarHBondContact N-O 3.26Å; C14-V70 PolarHBondContact O-N 2.79Å; C14-C87 HydrophobicContact CB-CB 3.47Å; C14-C87 VanDerWaalsContact CB-CB 3.47Å; C14-C87 WeakPolarHBondContact CB-SG 3.4Å; C14-C87 WeakPolarHBondContact SG-CB 3.48Å; C14-C87 CovalentContact SG-SG 2.02Å; C14-C87 PolarHBondContact SG-SG 3.34Å
15	T	96.4	Very high	87.1	Confident	96 Å²	96	69.1 Å²	69.1	59%	0.589	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.6	171.6	-53.6	0	0	0	0	108.3	S68 Q69	T15-S68 WeakPolarHBondContact CA-O 3.45Å; T15-Q69 HydrophobicContact CG2-CG 4.38Å; T15-Q69 PolarHBondContact OG1-NE2 2.78Å
16	V	92.9	Very high	88.7	Confident	16 Å²	16	66.9 Å²	66.9	10%	0.097	40%	0.401	C	S	.	.			trans	-104.1	152.5	-179.6	-56.9	0	0	0	0	111.1	F19 L21 V26 S68	V16-F19 HydrophobicContact CB-CE1 3.69Å; V16-F19 HydrophobicContact CB-CE2 4.29Å; V16-F19 HydrophobicContact CB-CZ 3.55Å; V16-F19 HydrophobicContact CG1-CE1 4.11Å; V16-F19 HydrophobicContact CG1-CE2 4.46Å; V16-F19 HydrophobicContact CG1-CZ 3.62Å; V16-F19 HydrophobicContact CG2-CE1 4.23Å; V16-F19 HydrophobicContact CG2-CE2 4.08Å; V16-F19 HydrophobicContact CG2-CZ 3.85Å; V16-L21 HydrophobicContact CG1-CD2 4.35Å; V16-L21 HydrophobicContact CG2-CD1 4.11Å; V16-L21 HydrophobicContact CG2-CD2 3.55Å; V16-L21 HydrophobicContact CG2-CG 3.67Å; V16-V26 HydrophobicContact CG1-CG2 4.47Å; V16-S68 PolarHBondContact N-O 2.95Å; V16-S68 WeakPolarHBondContact O-CB 3.34Å
17	S	92.9	Very high	90.5	Very high	108 Å²	108	64.6 Å²	64.6	76%	0.755	38%	0.382	S	S	*	.			trans	-140.7	158.7	175.1	62.4	0	0	0	0	110.2	F19	S17-F19 VanDerWaalsContact C-N 3.28Å; S17-F19 WeakPolarHBondContact O-CD1 3.31Å; S17-F19 PolarHBondContact O-N 2.84Å
18	G	90.7	Very high	92.2	Very high	90 Å²	90	59.6 Å²	59.6	93%	0.928	35%	0.347	S	S	*	.	S	Bend	trans	79.2	0	179	0	0	0	0	0	115.7
19	F	88.8	Confident	93	Very high	42 Å²	42	55.9 Å²	55.9	18%	0.184	33%	0.331	C	S	.	.	S	Bend	trans	-154.2	165.1	172.7	68	-86.3	0	0	0	112.1	V16 S17 L21 Y24 V26 K89	V16-F19 HydrophobicContact CB-CE1 3.69Å; V16-F19 HydrophobicContact CB-CE2 4.29Å; V16-F19 HydrophobicContact CB-CZ 3.55Å; V16-F19 HydrophobicContact CG1-CE1 4.11Å; V16-F19 HydrophobicContact CG1-CE2 4.46Å; V16-F19 HydrophobicContact CG1-CZ 3.62Å; V16-F19 HydrophobicContact CG2-CE1 4.23Å; V16-F19 HydrophobicContact CG2-CE2 4.08Å; V16-F19 HydrophobicContact CG2-CZ 3.85Å; S17-F19 VanDerWaalsContact C-N 3.28Å; S17-F19 WeakPolarHBondContact O-CD1 3.31Å; S17-F19 PolarHBondContact O-N 2.84Å; F19-L21 HydrophobicContact CE2-CD2 3.95Å; F19-Y24 HydrophobicContact CB-CD2 3.8Å; F19-Y24 HydrophobicContact CB-CE2 3.96Å; F19-Y24 HydrophobicContact CB-CG 4.38Å; F19-Y24 AromaticContact CD2-CD2 3.85Å; F19-Y24 HydrophobicContact CD2-CD2 3.85Å; F19-Y24 AromaticContact CD2-CG 3.86Å; F19-Y24 HydrophobicContact CD2-CG 3.86Å; F19-Y24 HydrophobicContact CG-CD2 4.24Å; F19-Y24 HydrophobicContact CG-CG 4.42Å; F19-V26 HydrophobicContact CE2-CG2 4.03Å; F19-V26 HydrophobicContact CZ-CG2 4.08Å; F19-K89 HydrophobicContact CD1-CD 4.23Å; F19-K89 HydrophobicContact CE1-CB 4.09Å; F19-K89 HydrophobicContact CE1-CD 4.33Å; F19-K89 HydrophobicContact CZ-CB 4.03Å
20	S	91.8	Very high	93.5	Very high	57 Å²	57	53.8 Å²	53.8	40%	0.399	31%	0.313	S	S	.	.			trans	-99.3	127.7	178.5	-172	0	0	0	0	112.2	S22 R23 Y24	S20-S22 PolarHBondContact O-N 2.94Å; S20-S22 VanDerWaalsContact O-N 3.13Å; S20-S22 PolarHBondContact OG-OG 2.81Å; S20-R23 PolarHBondContact O-N 2.83Å; S20-Y24 PolarHBondContact O-N 2.93Å
21	L	93.8	Very high	93.9	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.016	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-12.7	176.3	-70.4	-178.4	0	0	0	114.3	V16 F19 R23 V26 G45 K63 N65 Q69 V70	V16-L21 HydrophobicContact CG1-CD2 4.35Å; V16-L21 HydrophobicContact CG2-CD1 4.11Å; V16-L21 HydrophobicContact CG2-CD2 3.55Å; V16-L21 HydrophobicContact CG2-CG 3.67Å; F19-L21 HydrophobicContact CE2-CD2 3.95Å; L21-R23 VanDerWaalsContact C-N 3.35Å; L21-V26 HydrophobicContact CD2-CG2 3.56Å; L21-G45 WeakPolarHBondContact O-CA 3Å; L21-K63 HydrophobicContact CB-CD 4.47Å; L21-K63 HydrophobicContact CD1-CB 4.45Å; L21-K63 PolarHBondContact O-NZ 2.92Å; L21-N65 VanDerWaalsContact CB-OD1 3.24Å; L21-N65 WeakPolarHBondContact CB-OD1 3.28Å; L21-Q69 WeakPolarHBondContact CD1-O 3.34Å; L21-V70 HydrophobicContact CD1-CG2 3.82Å; L21-V70 HydrophobicContact CD2-CG2 3.6Å; L21-V70 HydrophobicContact CG-CG2 4.4Å
22	S	92.8	Very high	94	Very high	58 Å²	58	52.4 Å²	52.4	41%	0.406	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-19.7	173.4	62.2	0	0	0	0	113	S20 G45	S20-S22 PolarHBondContact O-N 2.94Å; S20-S22 VanDerWaalsContact O-N 3.13Å; S20-S22 PolarHBondContact OG-OG 2.81Å; S22-G45 CarbonylContact O-C 3.53Å; S22-G45 WeakPolarHBondContact O-CA 2.97Å
23	R	90.9	Very high	94	Very high	214 Å²	214	55.6 Å²	55.6	81%	0.808	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-30.6	-175.8	-64.4	-171.7	179.2	-174.1	-0.2	113.9	S20 L21	S20-R23 PolarHBondContact O-N 2.83Å; L21-R23 VanDerWaalsContact C-N 3.35Å
24	Y	91.4	Very high	93.9	Very high	106 Å²	106	56.7 Å²	56.7	42%	0.416	35%	0.347	S	S	.	.	S	Bend	trans	-107.7	150.4	-176.9	-67.1	-93.3	0	0	0	111.2	F19 S20 G45	F19-Y24 HydrophobicContact CB-CD2 3.8Å; F19-Y24 HydrophobicContact CB-CE2 3.96Å; F19-Y24 HydrophobicContact CB-CG 4.38Å; F19-Y24 AromaticContact CD2-CD2 3.85Å; F19-Y24 HydrophobicContact CD2-CD2 3.85Å; F19-Y24 AromaticContact CD2-CG 3.86Å; F19-Y24 HydrophobicContact CD2-CG 3.86Å; F19-Y24 HydrophobicContact CG-CD2 4.24Å; F19-Y24 HydrophobicContact CG-CG 4.42Å; S20-Y24 PolarHBondContact O-N 2.93Å; Y24-G45 PolarHBondContact O-N 3.14Å
25	S	93.6	Very high	93.8	Very high	17 Å²	17	62.4 Å²	62.4	12%	0.119	37%	0.371	C	S	.	.			trans	-81.8	159.2	165	53.8	0	0	0	0	111.4	M42 I43 P90	S25-M42 WeakPolarHBondContact OG-CE 3.41Å; S25-I43 CarbonylContact C-O 3.56Å; S25-I43 WeakPolarHBondContact CA-O 2.99Å; S25-I43 VanDerWaalsContact CB-O 3.29Å; S25-I43 WeakPolarHBondContact CB-O 3.28Å; S25-P90 WeakPolarHBondContact O-CD 3.26Å; S25-P90 WeakPolarHBondContact OG-CG 3.07Å
26	V	96	Very high	93.7	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.012	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.5	170.6	178.5	0	0	0	0	108.3	V16 F19 L21 M42 I43 V70 C87 A88	V16-V26 HydrophobicContact CG1-CG2 4.47Å; F19-V26 HydrophobicContact CE2-CG2 4.03Å; F19-V26 HydrophobicContact CZ-CG2 4.08Å; L21-V26 HydrophobicContact CD2-CG2 3.56Å; V26-M42 CarbonylContact O-C 3.54Å; V26-M42 WeakPolarHBondContact O-CA 3.43Å; V26-M42 WeakPolarHBondContact O-CB 3.38Å; V26-I43 HydrophobicContact CB-CG2 4.46Å; V26-I43 PolarHBondContact N-O 3.19Å; V26-I43 PolarHBondContact O-N 3.2Å; V26-V70 HydrophobicContact CB-CG1 4.47Å; V26-V70 HydrophobicContact CB-CG2 4.05Å; V26-V70 HydrophobicContact CG1-CB 4.41Å; V26-V70 HydrophobicContact CG1-CG1 4.33Å; V26-V70 HydrophobicContact CG1-CG2 4.16Å; V26-V70 HydrophobicContact CG2-CG2 3.94Å; V26-C87 HydrophobicContact CG1-CB 4.16Å; V26-A88 WeakPolarHBondContact CA-O 3.38Å
27	H	96.1	Very high	93.8	Very high	43 Å²	43	65.2 Å²	65.2	20%	0.199	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	146.5	178.7	-66.5	-111.8	0	0	0	109.9	W39 M42 C87 A88	H27-W39 AromaticContact ND1-CD1 3.89Å; H27-W39 AromaticContact ND1-NE1 3.25Å; H27-W39 PolarHBondContact ND1-NE1 3.07Å; H27-M42 PolarHBondContact CE1-SD 3.01Å; H27-M42 VanDerWaalsContact NE2-CE 3.3Å; H27-M42 WeakPolarHBondContact NE2-CE 3.46Å; H27-C87 CarbonylContact O-C 3.57Å; H27-C87 VanDerWaalsContact O-CA 3.3Å; H27-C87 WeakPolarHBondContact O-CA 3.29Å; H27-A88 PolarHBondContact N-O 3.47Å; H27-A88 PolarHBondContact O-N 2.9Å
28	W	96.9	Very high	93.9	Very high	3 Å²	3	62.8 Å²	62.8	1%	0.011	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.4	168.1	-72.5	97.5	0	0	0	109.5	I12 C14 L40 G41 V70 L72 Y86 C87	I12-W28 HydrophobicContact CB-CH2 4.13Å; I12-W28 HydrophobicContact CB-CZ3 4.19Å; I12-W28 HydrophobicContact CG2-CH2 3.87Å; I12-W28 HydrophobicContact CG2-CZ3 3.84Å; C14-W28 HydrophobicContact CB-CH2 3.54Å; C14-W28 HydrophobicContact CB-CZ2 3.76Å; C14-W28 HydrophobicContact CB-CZ3 4.42Å; W28-L40 HydrophobicContact CB-CB 4.02Å; W28-L40 HydrophobicContact CB-CD1 4.25Å; W28-L40 WeakPolarHBondContact O-CB 3.36Å; W28-L40 PolarHBondContact O-N 3.28Å; W28-G41 PolarHBondContact N-O 2.87Å; W28-V70 HydrophobicContact CZ2-CB 4.34Å; W28-V70 HydrophobicContact CZ2-CG1 4.09Å; W28-L72 HydrophobicContact CB-CD1 4.3Å; W28-L72 HydrophobicContact CB-CD2 4.5Å; W28-L72 HydrophobicContact CD2-CB 3.7Å; W28-L72 HydrophobicContact CD2-CD1 4.33Å; W28-L72 HydrophobicContact CD2-CD2 4.05Å; W28-L72 HydrophobicContact CD2-CG 4.25Å; W28-L72 HydrophobicContact CE3-CB 3.94Å; W28-L72 HydrophobicContact CE3-CD2 3.82Å; W28-L72 HydrophobicContact CE3-CG 4.42Å; W28-L72 HydrophobicContact CG-CB 4.27Å; W28-L72 HydrophobicContact CG-CD1 4.04Å; W28-L72 HydrophobicContact CG-CD2 4.36Å; W28-L72 HydrophobicContact CG-CG 4.47Å; W28-L72 HydrophobicContact CH2-CB 3.93Å; W28-L72 HydrophobicContact CZ2-CB 3.72Å; W28-L72 HydrophobicContact CZ3-CB 4.05Å; W28-L72 HydrophobicContact CZ3-CD2 4.33Å; W28-Y86 WeakPolarHBondContact CA-O 3.46Å; W28-C87 HydrophobicContact CD2-CB 4.38Å; W28-C87 HydrophobicContact CE3-CB 4.12Å; W28-C87 HydrophobicContact CH2-CB 4.16Å; W28-C87 HydrophobicContact CZ2-CB 4.37Å; W28-C87 HydrophobicContact CZ3-CB 4.01Å
29	V	95.8	Very high	94.1	Very high	24 Å²	24	62.3 Å²	62.3	15%	0.145	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.9	-178.8	-175.2	0	0	0	0	107.6	L37 E38 Y86	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.82Å; V29-L37 HydrophobicContact CG1-CG 4.25Å; V29-E38 CarbonylContact C-O 3.43Å; V29-E38 WeakPolarHBondContact CA-O 2.98Å; V29-E38 WeakPolarHBondContact CG1-O 3.45Å; V29-Y86 PolarHBondContact N-O 3.41Å; V29-Y86 PolarHBondContact O-N 3.37Å
30	R	95.3	Very high	94.4	Very high	20 Å²	20	60.3 Å²	60.3	8%	0.075	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	157	169.8	71.3	174.8	178.7	-171.1	8.2	111.6	E38 L40 D81 A83 T84 Y85	R30-E38 HydrophobicContact CG-CB 3.96Å; R30-E38 IonicContact CZ-OE2 2.83Å; R30-E38 PolarHBondContact N-O 3.1Å; R30-E38 IonicContact NE-OE2 2.81Å; R30-E38 PolarHBondContact NE-OE2 2.82Å; R30-E38 IonicContact NH2-OE2 3.94Å; R30-E38 PolarHBondContact NH2-OE2 3.35Å; R30-E38 PolarHBondContact O-N 3.14Å; R30-L40 HydrophobicContact CB-CD1 4.1Å; R30-L40 HydrophobicContact CB-CD2 4.43Å; R30-L40 HydrophobicContact CB-CG 4.38Å; R30-L40 HydrophobicContact CG-CD1 4.35Å; R30-L40 HydrophobicContact CG-CD2 3.78Å; R30-L40 HydrophobicContact CG-CG 4.2Å; R30-D81 IonicContact CZ-OD1 3.34Å; R30-D81 IonicContact NH1-OD1 2.94Å; R30-D81 PolarHBondContact NH1-OD1 2.96Å; R30-A83 HydrophobicContact CB-CB 3.81Å; R30-A83 HydrophobicContact CG-CB 4.15Å; R30-T84 CarbonylContact C-O 3.55Å; R30-T84 WeakPolarHBondContact CA-O 3.18Å; R30-Y85 HydrophobicContact CB-CD1 3.96Å; R30-Y85 HydrophobicContact CB-CE1 4Å; R30-Y85 HydrophobicContact CB-CG 4.37Å
31	Q	96.1	Very high	94.6	Very high	72 Å²	72	57.6 Å²	57.6	34%	0.336	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	102.5	173.7	-167.7	176.6	21.2	0	0	109.6	K35 L37 A83 T84 Y86	Q31-K35 WeakPolarHBondContact CG-O 3.22Å; Q31-L37 HydrophobicContact CB-CD2 3.97Å; Q31-L37 HydrophobicContact CG-CD2 4.3Å; Q31-A83 WeakPolarHBondContact O-CA 3.35Å; Q31-A83 WeakPolarHBondContact O-CB 3.45Å; Q31-T84 PolarHBondContact N-O 2.95Å; Q31-T84 PolarHBondContact O-N 3.34Å; Q31-Y86 HydrophobicContact CB-CE2 3.82Å; Q31-Y86 PolarHBondContact OE1-OH 3.37Å
32	P	94.8	Very high	94.7	Very high	10 Å²	10	58.1 Å²	58.1	7%	0.065	32%	0.315	C	S	.	.			trans	-65.4	151.4	171.3	-18	30.8	0	0	0	110.9	G34 K35 A83	P32-G34 PolarHBondContact O-N 2.93Å; P32-K35 HydrophobicContact CB-CB 4.03Å; P32-K35 HydrophobicContact CB-CD 3.96Å; P32-K35 HydrophobicContact CB-CG 4.2Å; P32-K35 HydrophobicContact CG-CB 4.22Å; P32-K35 HydrophobicContact CG-CD 4.13Å; P32-K35 PolarHBondContact O-N 2.77Å; P32-A83 HydrophobicContact CB-CB 4.47Å; P32-A83 HydrophobicContact CG-CB 4.31Å
33	P	94.2	Very high	94.9	Very high	107 Å²	107	55.7 Å²	55.7	70%	0.695	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	126.8	176.3	-24.9	33.8	0	0	0	111.8	K35 T82	P33-K35 PolarHBondContact O-N 3.46Å; P33-T82 VanDerWaalsContact CD-O 3.31Å; P33-T82 WeakPolarHBondContact CD-O 3.27Å
34	G	95	Very high	95.1	Very high	94 Å²	94	50.4 Å²	50.4	97%	0.969	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	7.6	-179.8	0	0	0	0	0	115.6	P32	P32-G34 PolarHBondContact O-N 2.93Å
35	K	93.6	Very high	95.3	Very high	128 Å²	128	46.1 Å²	46.1	56%	0.557	27%	0.265	S	S	*	.	S	Bend	trans	-116.8	166.4	177.2	-62.7	-170.4	-177.2	175.7	0	112.2	Q31 P32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.22Å; P32-K35 HydrophobicContact CB-CB 4.03Å; P32-K35 HydrophobicContact CB-CD 3.96Å; P32-K35 HydrophobicContact CB-CG 4.2Å; P32-K35 HydrophobicContact CG-CB 4.22Å; P32-K35 HydrophobicContact CG-CD 4.13Å; P32-K35 PolarHBondContact O-N 2.77Å; P33-K35 PolarHBondContact O-N 3.46Å
36	G	94.2	Very high	95.3	Very high	52 Å²	52	49 Å²	49	54%	0.536	30%	0.298	S	S	.	.			trans	-72.2	179.6	173.2	0	0	0	0	0	113.3
37	L	94.8	Very high	95.2	Very high	120 Å²	120	50.6 Å²	50.6	63%	0.628	32%	0.315	S	S	*	.			trans	-71	129.8	174.1	-67.6	174.2	0	0	0	110.7	V29 Q31 Y86	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.82Å; V29-L37 HydrophobicContact CG1-CG 4.25Å; Q31-L37 HydrophobicContact CB-CD2 3.97Å; Q31-L37 HydrophobicContact CG-CD2 4.3Å; L37-Y86 HydrophobicContact CD2-CD2 4.28Å; L37-Y86 HydrophobicContact CD2-CE2 4.17Å
38	E	94.4	Very high	95.2	Very high	57 Å²	57	52.4 Å²	52.4	27%	0.266	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.5	175.5	-67	179.9	-175.6	0	0	109.5	V29 R30	V29-E38 CarbonylContact C-O 3.43Å; V29-E38 WeakPolarHBondContact CA-O 2.98Å; V29-E38 WeakPolarHBondContact CG1-O 3.45Å; R30-E38 HydrophobicContact CG-CB 3.96Å; R30-E38 IonicContact CZ-OE2 2.83Å; R30-E38 PolarHBondContact N-O 3.1Å; R30-E38 IonicContact NE-OE2 2.81Å; R30-E38 PolarHBondContact NE-OE2 2.82Å; R30-E38 IonicContact NH2-OE2 3.94Å; R30-E38 PolarHBondContact NH2-OE2 3.35Å; R30-E38 PolarHBondContact O-N 3.14Å
39	W	95.2	Very high	95.2	Very high	79 Å²	79	54.6 Å²	54.6	30%	0.299	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	133.9	173.5	-179.2	76.8	0	0	0	110.8	H27 G41 M42 D50 N52	H27-W39 AromaticContact ND1-CD1 3.89Å; H27-W39 AromaticContact ND1-NE1 3.25Å; H27-W39 PolarHBondContact ND1-NE1 3.07Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 2.88Å; W39-G41 VanDerWaalsContact NE1-O 3.13Å; W39-M42 HydrophobicContact CZ2-CB 4.16Å; W39-M42 HydrophobicContact CZ2-CG 3.95Å; W39-M42 HydrophobicContact CZ2-SD 4.34Å; W39-D50 HydrophobicContact CH2-CB 4.2Å; W39-N52 HydrophobicContact CE3-CB 4.16Å; W39-N52 HydrophobicContact CZ3-CB 4.33Å; W39-N52 WeakPolarHBondContact O-CB 3.49Å; W39-N52 PolarHBondContact O-ND2 3.46Å
40	L	95.6	Very high	95.2	Very high	0 Å²	0	57 Å²	57	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-39.2	-177.8	-63.2	-177.6	0	0	0	112.8	W28 R30 N52 L55 L59 L72 Y85	W28-L40 HydrophobicContact CB-CB 4.02Å; W28-L40 HydrophobicContact CB-CD1 4.25Å; W28-L40 WeakPolarHBondContact O-CB 3.36Å; W28-L40 PolarHBondContact O-N 3.28Å; R30-L40 HydrophobicContact CB-CD1 4.1Å; R30-L40 HydrophobicContact CB-CD2 4.43Å; R30-L40 HydrophobicContact CB-CG 4.38Å; R30-L40 HydrophobicContact CG-CD1 4.35Å; R30-L40 HydrophobicContact CG-CD2 3.78Å; R30-L40 HydrophobicContact CG-CG 4.2Å; L40-N52 WeakPolarHBondContact O-CB 3.22Å; L40-N52 PolarHBondContact O-N 3.25Å; L40-L55 HydrophobicContact CD2-CD1 3.28Å; L40-L59 HydrophobicContact CB-CD1 4Å; L40-L59 HydrophobicContact CB-CD2 4.49Å; L40-L59 HydrophobicContact CD1-CD1 4.34Å; L40-L59 HydrophobicContact CD2-CD1 4.27Å; L40-L59 HydrophobicContact CG-CD1 4.47Å; L40-L72 HydrophobicContact CD1-CD2 3.81Å; L40-Y85 HydrophobicContact CD1-CD1 3.74Å; L40-Y85 HydrophobicContact CD1-CE1 3.74Å
41	G	96	Very high	95.2	Very high	0 Å²	0	58 Å²	58	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.6	178.6	-172.3	0	0	0	0	0	111.8	W28 W39 D50	W28-G41 PolarHBondContact N-O 2.87Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 2.88Å; W39-G41 VanDerWaalsContact NE1-O 3.13Å; G41-D50 CarbonylContact C-O 3.6Å; G41-D50 WeakPolarHBondContact CA-O 3.3Å
42	M	96.5	Very high	95.1	Very high	15 Å²	15	56.7 Å²	56.7	7%	0.074	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	163.1	175.5	68.7	-175.7	-70	0	0	111.7	S25 V26 H27 W39 W44 T49 D50	S25-M42 WeakPolarHBondContact OG-CE 3.41Å; V26-M42 CarbonylContact O-C 3.54Å; V26-M42 WeakPolarHBondContact O-CA 3.43Å; V26-M42 WeakPolarHBondContact O-CB 3.38Å; H27-M42 PolarHBondContact CE1-SD 3.01Å; H27-M42 VanDerWaalsContact NE2-CE 3.3Å; H27-M42 WeakPolarHBondContact NE2-CE 3.46Å; W39-M42 HydrophobicContact CZ2-CB 4.16Å; W39-M42 HydrophobicContact CZ2-CG 3.95Å; W39-M42 HydrophobicContact CZ2-SD 4.34Å; M42-W44 HydrophobicContact CE-CD2 3.89Å; M42-W44 HydrophobicContact CE-CG 4.16Å; M42-W44 HydrophobicContact CE-CZ2 3.71Å; M42-W44 VanDerWaalsContact CE-NE1 3.29Å; M42-W44 HydrophobicContact CG-CE3 4.48Å; M42-W44 HydrophobicContact CG-CH2 4.06Å; M42-W44 HydrophobicContact CG-CZ2 4.14Å; M42-W44 HydrophobicContact CG-CZ3 4.24Å; M42-W44 HydrophobicContact SD-CD2 4.48Å; M42-W44 HydrophobicContact SD-CH2 3.91Å; M42-W44 HydrophobicContact SD-CZ2 3.45Å; M42-W44 WeakPolarHBondContact SD-CZ2 3.33Å; M42-T49 VanDerWaalsContact O-CA 3.28Å; M42-T49 WeakPolarHBondContact O-CA 3.42Å; M42-D50 HydrophobicContact CG-CB 4.33Å; M42-D50 PolarHBondContact N-O 2.85Å; M42-D50 PolarHBondContact O-N 2.64Å
43	I	97	Very high	94.9	Very high	7 Å²	7	61.4 Å²	61.4	4%	0.036	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.5	168.5	-171.6	162.9	0	0	0	109.6	S25 V26 S48 T49 I61 K63 V70	S25-I43 CarbonylContact C-O 3.56Å; S25-I43 WeakPolarHBondContact CA-O 2.99Å; S25-I43 VanDerWaalsContact CB-O 3.29Å; S25-I43 WeakPolarHBondContact CB-O 3.28Å; V26-I43 HydrophobicContact CB-CG2 4.46Å; V26-I43 PolarHBondContact N-O 3.19Å; V26-I43 PolarHBondContact O-N 3.2Å; I43-S48 WeakPolarHBondContact CA-O 3.45Å; I43-T49 HydrophobicContact CB-CG2 3.95Å; I43-T49 HydrophobicContact CD1-CG2 3.88Å; I43-T49 HydrophobicContact CG1-CG2 3.78Å; I43-I61 HydrophobicContact CB-CG2 3.76Å; I43-I61 HydrophobicContact CD1-CG2 4.49Å; I43-I61 HydrophobicContact CG2-CG2 3.78Å; I43-K63 HydrophobicContact CD1-CB 4.09Å; I43-K63 HydrophobicContact CD1-CD 3.84Å; I43-K63 HydrophobicContact CD1-CG 3.75Å; I43-K63 HydrophobicContact CG1-CD 4.11Å; I43-K63 HydrophobicContact CG2-CD 4.45Å; I43-V70 HydrophobicContact CG2-CG1 3.87Å
44	W	95.6	Very high	94.6	Very high	103 Å²	103	60.1 Å²	60.1	39%	0.39	39%	0.389	S	S	.	.			trans	-82.4	166.2	177.9	-73.5	-87.4	0	0	0	112.5	M42 G46 G47 S48 D50 K63	M42-W44 HydrophobicContact CE-CD2 3.89Å; M42-W44 HydrophobicContact CE-CG 4.16Å; M42-W44 HydrophobicContact CE-CZ2 3.71Å; M42-W44 VanDerWaalsContact CE-NE1 3.29Å; M42-W44 HydrophobicContact CG-CE3 4.48Å; M42-W44 HydrophobicContact CG-CH2 4.06Å; M42-W44 HydrophobicContact CG-CZ2 4.14Å; M42-W44 HydrophobicContact CG-CZ3 4.24Å; M42-W44 HydrophobicContact SD-CD2 4.48Å; M42-W44 HydrophobicContact SD-CH2 3.91Å; M42-W44 HydrophobicContact SD-CZ2 3.45Å; M42-W44 WeakPolarHBondContact SD-CZ2 3.33Å; W44-G46 PolarHBondContact O-N 3.13Å; W44-G47 PolarHBondContact O-N 2.86Å; W44-S48 VanDerWaalsContact CE3-O 3.29Å; W44-S48 PolarHBondContact N-O 2.85Å; W44-D50 HydrophobicContact CH2-CB 3.45Å; W44-D50 VanDerWaalsContact CH2-CB 3.45Å; W44-D50 HydrophobicContact CZ3-CB 3.62Å; W44-K63 PolarHBondContact O-NZ 3.04Å
45	G	93.8	Very high	94.3	Very high	15 Å²	15	56 Å²	56	16%	0.155	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-38.3	172.9	0	0	0	0	0	113.6	L21 S22 Y24 G47 K63	L21-G45 WeakPolarHBondContact O-CA 3Å; S22-G45 CarbonylContact O-C 3.53Å; S22-G45 WeakPolarHBondContact O-CA 2.97Å; Y24-G45 PolarHBondContact O-N 3.14Å; G45-G47 VanDerWaalsContact C-N 3.28Å; G45-G47 PolarHBondContact O-N 2.73Å; G45-K63 PolarHBondContact O-NZ 2.88Å
46	G	93.8	Very high	94.1	Very high	79 Å²	79	56 Å²	56	81%	0.814	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-8.2	174.7	0	0	0	0	0	115.7	W44	W44-G46 PolarHBondContact O-N 3.13Å
47	G	94.6	Very high	94	Very high	35 Å²	35	59 Å²	59	36%	0.361	36%	0.357	S	S	.	.	S	Bend	trans	93.6	-7.9	177.8	0	0	0	0	0	115.3	W44 G45	W44-G47 PolarHBondContact O-N 2.86Å; G45-G47 VanDerWaalsContact C-N 3.28Å; G45-G47 PolarHBondContact O-N 2.73Å
48	S	95.7	Very high	93.9	Very high	80 Å²	80	54.8 Å²	54.8	56%	0.559	33%	0.333	S	S	*	.			trans	-56.9	149.6	168.3	-54.1	0	0	0	0	110.5	I43 W44	I43-S48 WeakPolarHBondContact CA-O 3.45Å; W44-S48 VanDerWaalsContact CE3-O 3.29Å; W44-S48 PolarHBondContact N-O 2.85Å
49	T	96.8	Very high	93.9	Very high	50 Å²	50	52.5 Å²	52.5	31%	0.307	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	149.6	179.5	49.3	0	0	0	0	110.8	M42 I43 Y51 I61	M42-T49 VanDerWaalsContact O-CA 3.28Å; M42-T49 WeakPolarHBondContact O-CA 3.42Å; I43-T49 HydrophobicContact CB-CG2 3.95Å; I43-T49 HydrophobicContact CD1-CG2 3.88Å; I43-T49 HydrophobicContact CG1-CG2 3.78Å; T49-Y51 WeakPolarHBondContact CB-OH 3.3Å; T49-Y51 VanDerWaalsContact OG1-CE2 3.29Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.05Å; T49-Y51 PolarHBondContact OG1-OH 3.05Å; T49-Y51 VanDerWaalsContact OG1-OH 3.11Å; T49-I61 HydrophobicContact CG2-CB 4.32Å
50	D	95.7	Very high	93.9	Very high	73 Å²	73	51.3 Å²	51.3	39%	0.39	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152.3	168.5	-170	23.8	0	0	0	109.7	W39 G41 M42 W44	W39-D50 HydrophobicContact CH2-CB 4.2Å; G41-D50 CarbonylContact C-O 3.6Å; G41-D50 WeakPolarHBondContact CA-O 3.3Å; M42-D50 HydrophobicContact CG-CB 4.33Å; M42-D50 PolarHBondContact N-O 2.85Å; M42-D50 PolarHBondContact O-N 2.64Å; W44-D50 HydrophobicContact CH2-CB 3.45Å; W44-D50 VanDerWaalsContact CH2-CB 3.45Å; W44-D50 HydrophobicContact CZ3-CB 3.62Å
51	Y	95.9	Very high	93.9	Very high	43 Å²	43	51.7 Å²	51.7	17%	0.169	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.7	-165.5	-59.8	-74.3	0	0	0	110.6	T49 S53 K56 L59 I61	T49-Y51 WeakPolarHBondContact CB-OH 3.3Å; T49-Y51 VanDerWaalsContact OG1-CE2 3.29Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.05Å; T49-Y51 PolarHBondContact OG1-OH 3.05Å; T49-Y51 VanDerWaalsContact OG1-OH 3.11Å; Y51-S53 PolarHBondContact O-N 3.26Å; Y51-K56 HydrophobicContact CD2-CG 4.32Å; Y51-K56 HydrophobicContact CG-CG 4.42Å; Y51-L59 HydrophobicContact CD1-CB 4.38Å; Y51-L59 HydrophobicContact CD1-CD2 3.44Å; Y51-L59 VanDerWaalsContact CD1-CD2 3.44Å; Y51-L59 HydrophobicContact CE1-CD2 3.76Å; Y51-I61 HydrophobicContact CD1-CD1 4.14Å; Y51-I61 HydrophobicContact CE1-CB 4.19Å; Y51-I61 HydrophobicContact CE1-CD1 3.88Å; Y51-I61 HydrophobicContact CE1-CG1 3.93Å; Y51-I61 PolarHBondContact OH-N 3.16Å
52	N	93.6	Very high	94	Very high	44 Å²	44	54.4 Å²	54.4	24%	0.235	35%	0.347	C	S	.	.			trans	-60.3	126.2	164.4	-174.2	-37.5	0	0	0	109.3	W39 L40 A54 L55 K56	W39-N52 HydrophobicContact CE3-CB 4.16Å; W39-N52 HydrophobicContact CZ3-CB 4.33Å; W39-N52 WeakPolarHBondContact O-CB 3.49Å; W39-N52 PolarHBondContact O-ND2 3.46Å; L40-N52 WeakPolarHBondContact O-CB 3.22Å; L40-N52 PolarHBondContact O-N 3.25Å; N52-A54 PolarHBondContact O-N 3.07Å; N52-A54 VanDerWaalsContact O-N 3.14Å; N52-A54 WeakPolarHBondContact OD1-CB 3.41Å; N52-A54 PolarHBondContact OD1-N 2.92Å; N52-L55 PolarHBondContact O-N 2.88Å; N52-K56 PolarHBondContact O-N 3.44Å
53	S	91.9	Very high	94	Very high	109 Å²	109	55.7 Å²	55.7	76%	0.762	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-34	-176.9	53.9	0	0	0	0	112.9	Y51 L55	Y51-S53 PolarHBondContact O-N 3.26Å; S53-L55 VanDerWaalsContact C-N 3.26Å; S53-L55 PolarHBondContact O-N 2.9Å
54	A	88.1	Confident	93.9	Very high	79 Å²	79	57.6 Å²	57.6	65%	0.653	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.6	178.6	0	0	0	0	0	113.6	N52	N52-A54 PolarHBondContact O-N 3.07Å; N52-A54 VanDerWaalsContact O-N 3.14Å; N52-A54 WeakPolarHBondContact OD1-CB 3.41Å; N52-A54 PolarHBondContact OD1-N 2.92Å
55	L	87.3	Confident	93.9	Very high	7 Å²	7	56.2 Å²	56.2	4%	0.037	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-4.7	-173.9	-62.7	172.3	0	0	0	113.1	L40 N52 S53 S57 R58 L59	L40-L55 HydrophobicContact CD2-CD1 3.28Å; N52-L55 PolarHBondContact O-N 2.88Å; S53-L55 VanDerWaalsContact C-N 3.26Å; S53-L55 PolarHBondContact O-N 2.9Å; L55-S57 PolarHBondContact O-N 2.02Å; L55-R58 VanDerWaalsContact CD2-NH2 3.31Å; L55-R58 PolarHBondContact O-N 2.79Å; L55-L59 HydrophobicContact CB-CB 4.27Å; L55-L59 HydrophobicContact CB-CD1 4.14Å; L55-L59 HydrophobicContact CD1-CD1 4.28Å; L55-L59 VanDerWaalsContact O-CB 3.28Å; L55-L59 WeakPolarHBondContact O-CB 3.44Å; L55-L59 PolarHBondContact O-N 2.87Å
56	K	89.3	Confident	93.9	Very high	130 Å²	130	60.7 Å²	60.7	57%	0.565	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-32	-173.1	-172.2	172.7	-175	174.6	0	114.5	Y51 N52 R58	Y51-K56 HydrophobicContact CD2-CG 4.32Å; Y51-K56 HydrophobicContact CG-CG 4.42Å; N52-K56 PolarHBondContact O-N 3.44Å; K56-R58 VanDerWaalsContact C-N 3.35Å
57	S	91.8	Very high	94	Very high	114 Å²	114	64.2 Å²	64.2	80%	0.797	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-20.3	179.1	60.1	0	0	0	0	113.9	L55	L55-S57 PolarHBondContact O-N 2.02Å
58	R	92.9	Very high	94	Very high	31 Å²	31	64.6 Å²	64.6	12%	0.117	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-20.4	-174.1	-60.5	-167.7	-61.3	119.6	-2.9	113.4	L55 K56 L74 N75 S76 D81	L55-R58 VanDerWaalsContact CD2-NH2 3.31Å; L55-R58 PolarHBondContact O-N 2.79Å; K56-R58 VanDerWaalsContact C-N 3.35Å; R58-L74 HydrophobicContact CB-CD1 3.76Å; R58-N75 WeakPolarHBondContact CB-O 3.29Å; R58-N75 PolarHBondContact NH1-O 2.96Å; R58-N75 PolarHBondContact O-N 2.84Å; R58-S76 PolarHBondContact NH1-O 2.99Å; R58-D81 IonicContact CZ-OD1 3.97Å; R58-D81 IonicContact CZ-OD2 3.41Å; R58-D81 IonicContact NH1-OD1 3.91Å; R58-D81 IonicContact NH1-OD2 2.73Å; R58-D81 PolarHBondContact NH1-OD2 3.39Å; R58-D81 IonicContact NH2-OD1 3.05Å; R58-D81 PolarHBondContact NH2-OD1 3.03Å; R58-D81 IonicContact NH2-OD2 3.14Å; R58-D81 PolarHBondContact NH2-OD2 2.98Å; R58-D81 VanDerWaalsContact NH2-OD2 3.14Å
59	L	93.9	Very high	94.1	Very high	10 Å²	10	62.2 Å²	62.2	5%	0.052	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	139.5	-173.7	-154.9	125.3	0	0	0	111.4	L40 Y51 L55 I61 L72 K73 L74	L40-L59 HydrophobicContact CB-CD1 4Å; L40-L59 HydrophobicContact CB-CD2 4.49Å; L40-L59 HydrophobicContact CD1-CD1 4.34Å; L40-L59 HydrophobicContact CD2-CD1 4.27Å; L40-L59 HydrophobicContact CG-CD1 4.47Å; Y51-L59 HydrophobicContact CD1-CB 4.38Å; Y51-L59 HydrophobicContact CD1-CD2 3.44Å; Y51-L59 VanDerWaalsContact CD1-CD2 3.44Å; Y51-L59 HydrophobicContact CE1-CD2 3.76Å; L55-L59 HydrophobicContact CB-CB 4.27Å; L55-L59 HydrophobicContact CB-CD1 4.14Å; L55-L59 HydrophobicContact CD1-CD1 4.28Å; L55-L59 VanDerWaalsContact O-CB 3.28Å; L55-L59 WeakPolarHBondContact O-CB 3.44Å; L55-L59 PolarHBondContact O-N 2.87Å; L59-I61 HydrophobicContact CD2-CD1 3.75Å; L59-I61 HydrophobicContact CD2-CG1 3.78Å; L59-L72 HydrophobicContact CD1-CD1 3.93Å; L59-L72 HydrophobicContact CD2-CD1 3.64Å; L59-L72 HydrophobicContact CG-CD1 3.72Å; L59-K73 CarbonylContact C-O 3.41Å; L59-K73 WeakPolarHBondContact CA-O 3.46Å; L59-L74 HydrophobicContact CB-CD1 4.42Å; L59-L74 HydrophobicContact CD1-CD1 4.27Å
60	S	95.7	Very high	94.1	Very high	53 Å²	53	59.8 Å²	59.8	37%	0.371	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	132.1	173.2	176.9	0	0	0	0	109	K73	S60-K73 PolarHBondContact N-O 2.81Å; S60-K73 PolarHBondContact O-N 2.87Å
61	I	97	Very high	94.2	Very high	8 Å²	8	58.5 Å²	58.5	4%	0.041	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.4	176.2	-61.8	161.9	0	0	0	108.1	I43 T49 Y51 L59 V70 F71 L72	I43-I61 HydrophobicContact CB-CG2 3.76Å; I43-I61 HydrophobicContact CD1-CG2 4.49Å; I43-I61 HydrophobicContact CG2-CG2 3.78Å; T49-I61 HydrophobicContact CG2-CB 4.32Å; Y51-I61 HydrophobicContact CD1-CD1 4.14Å; Y51-I61 HydrophobicContact CE1-CB 4.19Å; Y51-I61 HydrophobicContact CE1-CD1 3.88Å; Y51-I61 HydrophobicContact CE1-CG1 3.93Å; Y51-I61 PolarHBondContact OH-N 3.16Å; L59-I61 HydrophobicContact CD2-CD1 3.75Å; L59-I61 HydrophobicContact CD2-CG1 3.78Å; I61-V70 HydrophobicContact CG2-CG1 4.08Å; I61-F71 WeakPolarHBondContact CA-O 3.32Å; I61-L72 HydrophobicContact CD1-CD1 4.44Å; I61-L72 HydrophobicContact CG1-CD1 3.77Å
62	S	96.7	Very high	94.3	Very high	57 Å²	57	56.5 Å²	56.5	40%	0.399	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	170.3	174.6	67.5	0	0	0	0	110.7	V70 F71	S62-V70 CarbonylContact O-C 3.33Å; S62-V70 WeakPolarHBondContact O-CA 3.26Å; S62-V70 WeakPolarHBondContact O-CG1 3.29Å; S62-F71 PolarHBondContact N-O 3.13Å; S62-F71 PolarHBondContact O-N 3.2Å
63	K	96.3	Very high	94.3	Very high	43 Å²	43	58.9 Å²	58.9	19%	0.187	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	153.4	178.1	70.3	-176.9	-173.5	178.7	0	112.1	L21 I43 W44 G45 N65 Q69 V70	L21-K63 HydrophobicContact CB-CD 4.47Å; L21-K63 HydrophobicContact CD1-CB 4.45Å; L21-K63 PolarHBondContact O-NZ 2.92Å; I43-K63 HydrophobicContact CD1-CB 4.09Å; I43-K63 HydrophobicContact CD1-CD 3.84Å; I43-K63 HydrophobicContact CD1-CG 3.75Å; I43-K63 HydrophobicContact CG1-CD 4.11Å; I43-K63 HydrophobicContact CG2-CD 4.45Å; W44-K63 PolarHBondContact O-NZ 3.04Å; G45-K63 PolarHBondContact O-NZ 2.88Å; K63-N65 WeakPolarHBondContact CD-OD1 3.4Å; K63-N65 VanDerWaalsContact CE-OD1 3.29Å; K63-N65 WeakPolarHBondContact CE-OD1 3.29Å; K63-Q69 CarbonylContact C-O 3.53Å; K63-Q69 VanDerWaalsContact CA-O 3.29Å; K63-Q69 WeakPolarHBondContact CA-O 3.49Å; K63-V70 HydrophobicContact CB-CG2 4.18Å
64	D	96.1	Very high	94.4	Very high	46 Å²	46	53.7 Å²	53.7	25%	0.246	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	103.8	169	-176.7	-15.9	0	0	0	108.6	S66 R67 S68 Q69 F71	D64-S66 VanDerWaalsContact C-N 3.27Å; D64-S66 PolarHBondContact O-N 3.36Å; D64-S66 WeakPolarHBondContact OD1-CB 3.11Å; D64-S66 PolarHBondContact OD1-N 3.49Å; D64-S66 PolarHBondContact OD1-OG 2.88Å; D64-R67 HydrophobicContact CB-CB 4.31Å; D64-R67 PolarHBondContact O-N 2.81Å; D64-R67 PolarHBondContact OD1-N 3.25Å; D64-R67 WeakPolarHBondContact OD2-CD 3.28Å; D64-R67 VanDerWaalsContact OD2-CG 3.26Å; D64-R67 WeakPolarHBondContact OD2-CG 3.38Å; D64-S68 PolarHBondContact O-N 3.34Å; D64-Q69 PolarHBondContact N-O 2.79Å; D64-Q69 PolarHBondContact O-N 2.83Å; D64-F71 HydrophobicContact CB-CE2 3.95Å
65	N	94.6	Very high	94.5	Very high	75 Å²	75	52.7 Å²	52.7	40%	0.401	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-31	-179.7	-68	-12.2	0	0	0	112.1	L21 K63 R67 S68	L21-N65 VanDerWaalsContact CB-OD1 3.24Å; L21-N65 WeakPolarHBondContact CB-OD1 3.28Å; K63-N65 WeakPolarHBondContact CD-OD1 3.4Å; K63-N65 VanDerWaalsContact CE-OD1 3.29Å; K63-N65 WeakPolarHBondContact CE-OD1 3.29Å; N65-R67 VanDerWaalsContact C-N 3.29Å; N65-R67 PolarHBondContact O-N 2.81Å; N65-S68 PolarHBondContact O-N 2.9Å
66	S	94.4	Very high	94.6	Very high	108 Å²	108	56 Å²	56	76%	0.755	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-32	-178.5	73.7	0	0	0	0	111.6	D64	D64-S66 VanDerWaalsContact C-N 3.27Å; D64-S66 PolarHBondContact O-N 3.36Å; D64-S66 WeakPolarHBondContact OD1-CB 3.11Å; D64-S66 PolarHBondContact OD1-N 3.49Å; D64-S66 PolarHBondContact OD1-OG 2.88Å
67	R	95.9	Very high	94.5	Very high	154 Å²	154	50.6 Å²	50.6	58%	0.581	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-2.1	179.4	-60.6	-178.7	71.8	-176	0.3	113.6	D64 N65 Q69	D64-R67 HydrophobicContact CB-CB 4.31Å; D64-R67 PolarHBondContact O-N 2.81Å; D64-R67 PolarHBondContact OD1-N 3.25Å; D64-R67 WeakPolarHBondContact OD2-CD 3.28Å; D64-R67 VanDerWaalsContact OD2-CG 3.26Å; D64-R67 WeakPolarHBondContact OD2-CG 3.38Å; N65-R67 VanDerWaalsContact C-N 3.29Å; N65-R67 PolarHBondContact O-N 2.81Å; R67-Q69 HydrophobicContact CB-CB 4.33Å; R67-Q69 HydrophobicContact CB-CG 4.16Å; R67-Q69 PolarHBondContact O-N 3.11Å
68	S	95.4	Very high	94.4	Very high	43 Å²	43	50.2 Å²	50.2	30%	0.301	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	42.4	-172.1	-58.3	0	0	0	0	112.3	T15 V16 D64 N65	T15-S68 WeakPolarHBondContact CA-O 3.45Å; V16-S68 PolarHBondContact N-O 2.95Å; V16-S68 WeakPolarHBondContact O-CB 3.34Å; D64-S68 PolarHBondContact O-N 3.34Å; N65-S68 PolarHBondContact O-N 2.9Å
69	Q	97.4	Very high	94	Very high	29 Å²	29	54 Å²	54	14%	0.136	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.4	-176.9	-75.8	177.8	-19.1	0	0	112.1	T13 C14 T15 L21 K63 D64 R67 F71	T13-Q69 HydrophobicContact CG2-CB 4.2Å; T13-Q69 HydrophobicContact CG2-CG 3.96Å; C14-Q69 CarbonylContact O-C 3.53Å; C14-Q69 WeakPolarHBondContact O-CA 3.39Å; T15-Q69 HydrophobicContact CG2-CG 4.38Å; T15-Q69 PolarHBondContact OG1-NE2 2.78Å; L21-Q69 WeakPolarHBondContact CD1-O 3.34Å; K63-Q69 CarbonylContact C-O 3.53Å; K63-Q69 VanDerWaalsContact CA-O 3.29Å; K63-Q69 WeakPolarHBondContact CA-O 3.49Å; D64-Q69 PolarHBondContact N-O 2.79Å; D64-Q69 PolarHBondContact O-N 2.83Å; R67-Q69 HydrophobicContact CB-CB 4.33Å; R67-Q69 HydrophobicContact CB-CG 4.16Å; R67-Q69 PolarHBondContact O-N 3.11Å; Q69-F71 HydrophobicContact CB-CE1 4.3Å; Q69-F71 HydrophobicContact CB-CE2 3.92Å; Q69-F71 HydrophobicContact CB-CZ 3.62Å
70	V	97.3	Very high	93.6	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137.8	170.8	-174.2	0	0	0	0	107.9	C14 L21 V26 W28 I43 I61 S62 K63	C14-V70 HydrophobicContact CB-CB 4.48Å; C14-V70 PolarHBondContact N-O 3.26Å; C14-V70 PolarHBondContact O-N 2.79Å; L21-V70 HydrophobicContact CD1-CG2 3.82Å; L21-V70 HydrophobicContact CD2-CG2 3.6Å; L21-V70 HydrophobicContact CG-CG2 4.4Å; V26-V70 HydrophobicContact CB-CG1 4.47Å; V26-V70 HydrophobicContact CB-CG2 4.05Å; V26-V70 HydrophobicContact CG1-CB 4.41Å; V26-V70 HydrophobicContact CG1-CG1 4.33Å; V26-V70 HydrophobicContact CG1-CG2 4.16Å; V26-V70 HydrophobicContact CG2-CG2 3.94Å; W28-V70 HydrophobicContact CZ2-CB 4.34Å; W28-V70 HydrophobicContact CZ2-CG1 4.09Å; I43-V70 HydrophobicContact CG2-CG1 3.87Å; I61-V70 HydrophobicContact CG2-CG1 4.08Å; S62-V70 CarbonylContact O-C 3.33Å; S62-V70 WeakPolarHBondContact O-CA 3.26Å; S62-V70 WeakPolarHBondContact O-CG1 3.29Å; K63-V70 HydrophobicContact CB-CG2 4.18Å
71	F	97.1	Very high	93.3	Very high	46 Å²	46	57.1 Å²	57.1	20%	0.202	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.3	-176.5	-52.2	-86.1	0	0	0	109.8	I12 T13 I61 S62 D64 Q69	I12-F71 WeakPolarHBondContact O-CA 3.41Å; T13-F71 HydrophobicContact CG2-CD1 3.97Å; T13-F71 HydrophobicContact CG2-CE1 3.6Å; T13-F71 HydrophobicContact CG2-CZ 4.39Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.38Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.33Å; I61-F71 WeakPolarHBondContact CA-O 3.32Å; S62-F71 PolarHBondContact N-O 3.13Å; S62-F71 PolarHBondContact O-N 3.2Å; D64-F71 HydrophobicContact CB-CE2 3.95Å; Q69-F71 HydrophobicContact CB-CE1 4.3Å; Q69-F71 HydrophobicContact CB-CE2 3.92Å; Q69-F71 HydrophobicContact CB-CZ 3.62Å
72	L	96.6	Very high	93	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.2	168	178.9	71.7	0	0	0	108	S11 I12 W28 L40 L59 I61 Y85	S11-L72 CarbonylContact C-O 3.6Å; S11-L72 WeakPolarHBondContact CA-O 3.36Å; I12-L72 HydrophobicContact CB-CB 4.35Å; I12-L72 HydrophobicContact CD1-CD2 4.26Å; I12-L72 PolarHBondContact N-O 2.9Å; I12-L72 PolarHBondContact O-N 3.05Å; W28-L72 HydrophobicContact CB-CD1 4.3Å; W28-L72 HydrophobicContact CB-CD2 4.5Å; W28-L72 HydrophobicContact CD2-CB 3.7Å; W28-L72 HydrophobicContact CD2-CD1 4.33Å; W28-L72 HydrophobicContact CD2-CD2 4.05Å; W28-L72 HydrophobicContact CD2-CG 4.25Å; W28-L72 HydrophobicContact CE3-CB 3.94Å; W28-L72 HydrophobicContact CE3-CD2 3.82Å; W28-L72 HydrophobicContact CE3-CG 4.42Å; W28-L72 HydrophobicContact CG-CB 4.27Å; W28-L72 HydrophobicContact CG-CD1 4.04Å; W28-L72 HydrophobicContact CG-CD2 4.36Å; W28-L72 HydrophobicContact CG-CG 4.47Å; W28-L72 HydrophobicContact CH2-CB 3.93Å; W28-L72 HydrophobicContact CZ2-CB 3.72Å; W28-L72 HydrophobicContact CZ3-CB 4.05Å; W28-L72 HydrophobicContact CZ3-CD2 4.33Å; L40-L72 HydrophobicContact CD1-CD2 3.81Å; L59-L72 HydrophobicContact CD1-CD1 3.93Å; L59-L72 HydrophobicContact CD2-CD1 3.64Å; L59-L72 HydrophobicContact CG-CD1 3.72Å; I61-L72 HydrophobicContact CD1-CD1 4.44Å; I61-L72 HydrophobicContact CG1-CD1 3.77Å; L72-Y85 HydrophobicContact CD2-CD1 3.71Å; L72-Y85 HydrophobicContact CD2-CE1 4.07Å
73	K	95.1	Very high	92.9	Very high	93 Å²	93	59.5 Å²	59.5	40%	0.404	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.9	171.2	-170.8	174.8	-177.6	-179.4	0	109.7	L10 L59 S60 N75	L10-K73 CarbonylContact O-C 3.55Å; L10-K73 VanDerWaalsContact O-CA 3.29Å; L10-K73 WeakPolarHBondContact O-CA 3.4Å; L59-K73 CarbonylContact C-O 3.41Å; L59-K73 WeakPolarHBondContact CA-O 3.46Å; S60-K73 PolarHBondContact N-O 2.81Å; S60-K73 PolarHBondContact O-N 2.87Å; K73-N75 VanDerWaalsContact CE-OD1 3.27Å; K73-N75 WeakPolarHBondContact CE-OD1 3.33Å
74	L	93	Very high	92.8	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.6	174.4	-177.9	58	0	0	0	108.7	S9 L10 R58 L59 L77 D81	S9-L74 CarbonylContact C-O 3.56Å; S9-L74 VanDerWaalsContact CA-O 3.26Å; S9-L74 WeakPolarHBondContact CA-O 3.36Å; L10-L74 HydrophobicContact CB-CB 4.44Å; L10-L74 PolarHBondContact N-O 3.31Å; L10-L74 PolarHBondContact O-N 3.03Å; R58-L74 HydrophobicContact CB-CD1 3.76Å; L59-L74 HydrophobicContact CB-CD1 4.42Å; L59-L74 HydrophobicContact CD1-CD1 4.27Å; L74-L77 HydrophobicContact CB-CD2 4.41Å; L74-L77 HydrophobicContact CD2-CD2 3.8Å; L74-L77 HydrophobicContact CG-CD2 4.03Å; L74-D81 HydrophobicContact CD2-CB 3.92Å
75	N	91.5	Very high	92.8	Very high	58 Å²	58	60.9 Å²	60.9	31%	0.31	33%	0.332	S	S	.	.			trans	-90.8	156.7	179	-58.9	-53	0	0	0	111	S9 R58 K73 L77	S9-N75 WeakPolarHBondContact CB-OD1 3.39Å; R58-N75 WeakPolarHBondContact CB-O 3.29Å; R58-N75 PolarHBondContact NH1-O 2.96Å; R58-N75 PolarHBondContact O-N 2.84Å; K73-N75 VanDerWaalsContact CE-OD1 3.27Å; K73-N75 WeakPolarHBondContact CE-OD1 3.33Å; N75-L77 PolarHBondContact O-N 2.88Å
76	S	88.4	Confident	92.8	Very high	75 Å²	75	61.9 Å²	61.9	52%	0.524	33%	0.33	S	S	.	.	S	Bend	trans	51.6	59.7	176.8	-52.7	0	0	0	0	111.9	R58 Q78	R58-S76 PolarHBondContact NH1-O 2.99Å; S76-Q78 PolarHBondContact O-N 3.47Å
77	L	87.9	Confident	92.9	Very high	18 Å²	18	59.2 Å²	59.2	9%	0.094	31%	0.312	C	S	.	.			trans	-55.8	134.5	-179.5	-72.8	165.6	0	0	0	111.7	V4 S7 Q8 L10 L74 N75 D81	V4-L77 HydrophobicContact CB-CD1 3.66Å; V4-L77 HydrophobicContact CG1-CD1 4.27Å; V4-L77 HydrophobicContact CG2-CD1 3.62Å; S7-L77 PolarHBondContact N-O 2.69Å; Q8-L77 WeakPolarHBondContact O-CD1 3.44Å; Q8-L77 VanDerWaalsContact O-CG 3.32Å; Q8-L77 WeakPolarHBondContact O-CG 3.21Å; Q8-L77 PolarHBondContact O-N 3.36Å; L10-L77 HydrophobicContact CB-CD1 3.82Å; L10-L77 HydrophobicContact CB-CD2 3.77Å; L10-L77 HydrophobicContact CB-CG 4.16Å; L10-L77 HydrophobicContact CD2-CD2 4.26Å; L74-L77 HydrophobicContact CB-CD2 4.41Å; L74-L77 HydrophobicContact CD2-CD2 3.8Å; L74-L77 HydrophobicContact CG-CD2 4.03Å; N75-L77 PolarHBondContact O-N 2.88Å; L77-D81 HydrophobicContact CD2-CB 4.07Å
78	Q	88.4	Confident	92.7	Very high	105 Å²	105	53.9 Å²	53.9	49%	0.491	30%	0.3	S	S	.	.			trans	-112.8	160.9	175.4	-61.6	176.9	-9.5	0	0	109.5	S76 D80 D81	S76-Q78 PolarHBondContact O-N 3.47Å; Q78-D80 PolarHBondContact O-N 2.77Å; Q78-D81 PolarHBondContact N-OD2 3.42Å; Q78-D81 WeakPolarHBondContact O-CB 3.29Å; Q78-D81 PolarHBondContact O-N 2.88Å
79	T	85.8	Confident	92.4	Very high	112 Å²	112	56.7 Å²	56.7	69%	0.687	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-55.9	-36.2	177.4	-50.5	0	0	0	0	111.9	D81 T82	T79-D81 PolarHBondContact O-N 3.23Å; T79-T82 VanDerWaalsContact O-CB 3.28Å; T79-T82 WeakPolarHBondContact O-CB 3.44Å; T79-T82 PolarHBondContact O-N 2.79Å; T79-T82 PolarHBondContact O-OG1 3.04Å
80	D	86	Confident	91.4	Very high	120 Å²	120	57.5 Å²	57.5	64%	0.642	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-67.2	-12.9	177.7	-68.7	-5.4	0	0	0	113.9	Q78	Q78-D80 PolarHBondContact O-N 2.77Å
81	D	88.8	Confident	89.8	Confident	7 Å²	7	67.1 Å²	67.1	4%	0.037	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-83.6	-0.4	174.1	-58.9	-44.7	0	0	0	112.4	R30 R58 L74 L77 Q78 T79 A83 Y85	R30-D81 IonicContact CZ-OD1 3.34Å; R30-D81 IonicContact NH1-OD1 2.94Å; R30-D81 PolarHBondContact NH1-OD1 2.96Å; R58-D81 IonicContact CZ-OD1 3.97Å; R58-D81 IonicContact CZ-OD2 3.41Å; R58-D81 IonicContact NH1-OD1 3.91Å; R58-D81 IonicContact NH1-OD2 2.73Å; R58-D81 PolarHBondContact NH1-OD2 3.39Å; R58-D81 IonicContact NH2-OD1 3.05Å; R58-D81 PolarHBondContact NH2-OD1 3.03Å; R58-D81 IonicContact NH2-OD2 3.14Å; R58-D81 PolarHBondContact NH2-OD2 2.98Å; R58-D81 VanDerWaalsContact NH2-OD2 3.14Å; L74-D81 HydrophobicContact CD2-CB 3.92Å; L77-D81 HydrophobicContact CD2-CB 4.07Å; Q78-D81 PolarHBondContact N-OD2 3.42Å; Q78-D81 WeakPolarHBondContact O-CB 3.29Å; Q78-D81 PolarHBondContact O-N 2.88Å; T79-D81 PolarHBondContact O-N 3.23Å; D81-A83 PolarHBondContact O-N 2.79Å; D81-A83 VanDerWaalsContact O-N 3.1Å; D81-Y85 PolarHBondContact O-OH 3.01Å
82	T	91	Very high	87.7	Confident	94 Å²	94	71.4 Å²	71.4	58%	0.577	42%	0.417	S	S	*	.			trans	-69	106	174	-54.7	0	0	0	0	109.9	P33 T79	P33-T82 VanDerWaalsContact CD-O 3.31Å; P33-T82 WeakPolarHBondContact CD-O 3.27Å; T79-T82 VanDerWaalsContact O-CB 3.28Å; T79-T82 WeakPolarHBondContact O-CB 3.44Å; T79-T82 PolarHBondContact O-N 2.79Å; T79-T82 PolarHBondContact O-OG1 3.04Å
83	A	93.8	Very high	87.2	Confident	22 Å²	22	75 Å²	75	18%	0.182	44%	0.438	C	S	.	.	S	Bend	trans	-158.3	164.5	-176.2	0	0	0	0	0	111.1	R30 Q31 P32 D81 Y85	R30-A83 HydrophobicContact CB-CB 3.81Å; R30-A83 HydrophobicContact CG-CB 4.15Å; Q31-A83 WeakPolarHBondContact O-CA 3.35Å; Q31-A83 WeakPolarHBondContact O-CB 3.45Å; P32-A83 HydrophobicContact CB-CB 4.47Å; P32-A83 HydrophobicContact CG-CB 4.31Å; D81-A83 PolarHBondContact O-N 2.79Å; D81-A83 VanDerWaalsContact O-N 3.1Å; A83-Y85 HydrophobicContact CB-CE2 4.09Å; A83-Y85 VanDerWaalsContact O-CD2 3.22Å; A83-Y85 WeakPolarHBondContact O-CD2 3.48Å; A83-Y85 WeakPolarHBondContact O-CE2 3.47Å
84	T	95.2	Very high	86.8	Confident	77 Å²	77	74 Å²	74	47%	0.472	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	132.3	161.2	-52.5	0	0	0	0	108.9	R30 Q31 Y86	R30-T84 CarbonylContact C-O 3.55Å; R30-T84 WeakPolarHBondContact CA-O 3.18Å; Q31-T84 PolarHBondContact N-O 2.95Å; Q31-T84 PolarHBondContact O-N 3.34Å; T84-Y86 HydrophobicContact CG2-CE1 3.77Å; T84-Y86 HydrophobicContact CG2-CE2 3.81Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.24Å
85	Y	95.5	Very high	86.5	Confident	41 Å²	41	78.1 Å²	78.1	16%	0.161	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.3	-178.2	-70.3	-100.9	0	0	0	110.4	L10 I12 R30 L40 L72 D81 A83	L10-Y85 HydrophobicContact CD2-CE2 4.03Å; I12-Y85 VanDerWaalsContact CD1-CB 3.42Å; I12-Y85 HydrophobicContact CD1-CD1 3.75Å; I12-Y85 HydrophobicContact CD1-CD2 3.82Å; I12-Y85 HydrophobicContact CD1-CE1 4.46Å; I12-Y85 HydrophobicContact CD1-CG 3.38Å; R30-Y85 HydrophobicContact CB-CD1 3.96Å; R30-Y85 HydrophobicContact CB-CE1 4Å; R30-Y85 HydrophobicContact CB-CG 4.37Å; L40-Y85 HydrophobicContact CD1-CD1 3.74Å; L40-Y85 HydrophobicContact CD1-CE1 3.74Å; L72-Y85 HydrophobicContact CD2-CD1 3.71Å; L72-Y85 HydrophobicContact CD2-CE1 4.07Å; D81-Y85 PolarHBondContact O-OH 3.01Å; A83-Y85 HydrophobicContact CB-CE2 4.09Å; A83-Y85 VanDerWaalsContact O-CD2 3.22Å; A83-Y85 WeakPolarHBondContact O-CD2 3.48Å; A83-Y85 WeakPolarHBondContact O-CE2 3.47Å
86	Y	95.3	Very high	86.2	Confident	95 Å²	95	79.2 Å²	79.2	37%	0.373	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.5	-177.7	-54.3	-81.9	0	0	0	109.9	W28 V29 Q31 L37 T84	W28-Y86 WeakPolarHBondContact CA-O 3.46Å; V29-Y86 PolarHBondContact N-O 3.41Å; V29-Y86 PolarHBondContact O-N 3.37Å; Q31-Y86 HydrophobicContact CB-CE2 3.82Å; Q31-Y86 PolarHBondContact OE1-OH 3.37Å; L37-Y86 HydrophobicContact CD2-CD2 4.28Å; L37-Y86 HydrophobicContact CD2-CE2 4.17Å; T84-Y86 HydrophobicContact CG2-CE1 3.77Å; T84-Y86 HydrophobicContact CG2-CE2 3.81Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.24Å
87	C	94.7	Very high	86	Confident	53 Å²	53	79.5 Å²	79.5	36%	0.358	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.1	161.7	59.7	0	0	0	0	109.1	C14 V26 H27 W28	C14-C87 HydrophobicContact CB-CB 3.47Å; C14-C87 VanDerWaalsContact CB-CB 3.47Å; C14-C87 WeakPolarHBondContact CB-SG 3.4Å; C14-C87 WeakPolarHBondContact SG-CB 3.48Å; C14-C87 CovalentContact SG-SG 2.02Å; C14-C87 PolarHBondContact SG-SG 3.34Å; V26-C87 HydrophobicContact CG1-CB 4.16Å; H27-C87 CarbonylContact O-C 3.57Å; H27-C87 VanDerWaalsContact O-CA 3.3Å; H27-C87 WeakPolarHBondContact O-CA 3.29Å; W28-C87 HydrophobicContact CD2-CB 4.38Å; W28-C87 HydrophobicContact CE3-CB 4.12Å; W28-C87 HydrophobicContact CH2-CB 4.16Å; W28-C87 HydrophobicContact CZ2-CB 4.37Å; W28-C87 HydrophobicContact CZ3-CB 4.01Å
88	A	93.1	Very high	85.9	Confident	42 Å²	42	83.6 Å²	83.6	35%	0.347	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.9	-176.6	0	0	0	0	0	110.9	V26 H27	V26-A88 WeakPolarHBondContact CA-O 3.38Å; H27-A88 PolarHBondContact N-O 3.47Å; H27-A88 PolarHBondContact O-N 2.9Å
89	K	88.6	Confident	85.7	Confident	101 Å²	101	82.1 Å²	82.1	44%	0.439	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-80.2	141.9	163.4	138.5	-177.5	173	-175.4	0	107.4	F19 E91	F19-K89 HydrophobicContact CD1-CD 4.23Å; F19-K89 HydrophobicContact CE1-CB 4.09Å; F19-K89 HydrophobicContact CE1-CD 4.33Å; F19-K89 HydrophobicContact CZ-CB 4.03Å; K89-E91 PolarHBondContact O-N 3.26Å
90	P	76.7	Confident	85.7	Confident	46 Å²	46	79.8 Å²	79.8	30%	0.299	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-57.8	136.8	168	-8.4	15.9	0	0	0	109.8	S25 G92	S25-P90 WeakPolarHBondContact O-CD 3.26Å; S25-P90 WeakPolarHBondContact OG-CG 3.07Å; P90-G92 PolarHBondContact O-N 2.6Å
91	E	63.8	Low	85.7	Confident	202 Å²	202	76.4 Å²	76.4	94%	0.944	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-65.6	128.6	165.5	-63.6	-163.1	166.8	0	0	108.6	K89	K89-E91 PolarHBondContact O-N 3.26Å
92	G	52.1	Low	85.4	Confident	137 Å²	137	82.7 Å²	82.7	100%	1.412	51%	0.506	S	S	*	.			trans	-149.3	0	174.5	0	0	0	0	0	107.4	P90	P90-G92 PolarHBondContact O-N 2.6Å

Retrieved 92 of 92 residues in 20.6 ms (Link to these results)

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