X5J4K1_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4K1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 91 aa.

						>X5J4K1_MOUSE|X5J4K1
PGLVQPSQSLSITCTVSGFSLTSYGVHWVRQSPGKGLEWLGVIWSGGSTDYNAAFISRLSISKDNSKSQVFFKMNSLQADDTAIYYCARKK
					

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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	51.2	Low	70.6	Confident	188 Å²	188	100.4 Å²	100.4	100%	1.221	62%	0.621	S	S	*	*				0	119.9	0	-2.9	23.1	0	0	0	109.8
2	G	62.8	Low	72.5	Confident	68 Å²	68	95.4 Å²	95.4	70%	0.701	59%	0.587	S	S	*	*			trans	-93.3	146.6	-175.9	0	0	0	0	0	112.7
3	L	62.7	Low	74.3	Confident	186 Å²	186	93.5 Å²	93.5	97%	0.974	58%	0.575	S	S	*	*			trans	-70.5	126	170.4	-170.3	76.5	0	0	0	108.8
4	V	62.7	Low	75.8	Confident	60 Å²	60	87.6 Å²	87.6	36%	0.364	54%	0.539	S	S	.	.			trans	-113.1	137.5	-179.8	-75	0	0	0	0	109.3	L10 L77	V4-L10 HydrophobicContact CG1-CD1 4.43Å; V4-L10 HydrophobicContact CG2-CD1 4.35Å; V4-L77 HydrophobicContact CB-CD1 3.87Å; V4-L77 HydrophobicContact CG2-CD1 3.37Å
5	Q	66.9	Low	77.2	Confident	137 Å²	137	87.9 Å²	87.9	64%	0.64	54%	0.541	S	S	*	.			trans	-76.3	151.4	179.3	-73.1	-173.7	-1.8	0	0	111.1	Q8	Q5-Q8 HydrophobicContact CB-CG 4.46Å; Q5-Q8 VanDerWaalsContact N-OE1 3.08Å; Q5-Q8 WeakPolarHBondContact O-CB 3.43Å; Q5-Q8 PolarHBondContact O-N 3.23Å; Q5-Q8 VanDerWaalsContact O-N 3.16Å
6	P	60.9	Low	78.2	Confident	92 Å²	92	83.4 Å²	83.4	60%	0.597	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	143	170.8	-20.2	31	0	0	0	109.9	Q8	P6-Q8 VanDerWaalsContact C-N 3.35Å
7	S	63.9	Low	79.1	Confident	111 Å²	111	84.8 Å²	84.8	78%	0.776	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-6.5	-172.7	-19.6	0	0	0	0	116.8	L77	S7-L77 PolarHBondContact N-O 2.84Å
8	Q	79.6	Confident	79.8	Confident	98 Å²	98	84.7 Å²	84.7	46%	0.458	55%	0.545	S	S	.	.	S	Bend	trans	-86	167.1	170.6	-68.4	-177.9	-30.7	0	0	111.8	Q5 P6 L77	Q5-Q8 HydrophobicContact CB-CG 4.46Å; Q5-Q8 VanDerWaalsContact N-OE1 3.08Å; Q5-Q8 WeakPolarHBondContact O-CB 3.43Å; Q5-Q8 PolarHBondContact O-N 3.23Å; Q5-Q8 VanDerWaalsContact O-N 3.16Å; P6-Q8 VanDerWaalsContact C-N 3.35Å; Q8-L77 WeakPolarHBondContact O-CD1 3.35Å; Q8-L77 VanDerWaalsContact O-CG 3.25Å; Q8-L77 WeakPolarHBondContact O-CG 3.46Å; Q8-L77 PolarHBondContact O-N 3.24Å
9	S	85.5	Confident	80.3	Confident	58 Å²	58	82.4 Å²	82.4	41%	0.406	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-94.5	130.9	171.1	62.9	0	0	0	0	110.9	M74	S9-M74 CarbonylContact C-O 3.55Å; S9-M74 WeakPolarHBondContact CA-O 3.49Å
10	L	88.1	Confident	80.9	Confident	26 Å²	26	80.9 Å²	80.9	14%	0.136	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131.9	168.8	179.5	59.5	0	0	0	109	V4 I12 K73 M74 L77 Y85	V4-L10 HydrophobicContact CG1-CD1 4.43Å; V4-L10 HydrophobicContact CG2-CD1 4.35Å; L10-I12 HydrophobicContact CD1-CD1 4.49Å; L10-I12 HydrophobicContact CD1-CG1 4.06Å; L10-I12 HydrophobicContact CD2-CD1 3.94Å; L10-I12 HydrophobicContact CD2-CG1 4.25Å; L10-I12 HydrophobicContact CG-CD1 4.15Å; L10-I12 HydrophobicContact CG-CG1 3.89Å; L10-K73 CarbonylContact O-C 3.56Å; L10-K73 VanDerWaalsContact O-CA 3.25Å; L10-K73 WeakPolarHBondContact O-CA 3.46Å; L10-M74 HydrophobicContact CB-CB 4.44Å; L10-M74 PolarHBondContact N-O 3.29Å; L10-M74 PolarHBondContact O-N 3.04Å; L10-L77 HydrophobicContact CB-CD1 3.81Å; L10-L77 HydrophobicContact CB-CD2 3.76Å; L10-L77 HydrophobicContact CB-CG 4.18Å; L10-L77 HydrophobicContact CD2-CD2 4.32Å; L10-Y85 HydrophobicContact CD2-CD2 4.3Å; L10-Y85 HydrophobicContact CD2-CE1 4.4Å; L10-Y85 HydrophobicContact CD2-CE2 3.87Å
11	S	91.8	Very high	81.5	Confident	80 Å²	80	77.1 Å²	77.1	56%	0.559	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.3	170.4	-169.5	0	0	0	0	109.3	F72	S11-F72 CarbonylContact C-O 3.58Å; S11-F72 WeakPolarHBondContact CA-O 3.41Å
12	I	93.5	Very high	83.5	Confident	41 Å²	41	72 Å²	72	21%	0.21	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.9	179.8	-49.4	179.1	0	0	0	108.4	L10 W28 F71 F72 Y85	L10-I12 HydrophobicContact CD1-CD1 4.49Å; L10-I12 HydrophobicContact CD1-CG1 4.06Å; L10-I12 HydrophobicContact CD2-CD1 3.94Å; L10-I12 HydrophobicContact CD2-CG1 4.25Å; L10-I12 HydrophobicContact CG-CD1 4.15Å; L10-I12 HydrophobicContact CG-CG1 3.89Å; I12-W28 HydrophobicContact CB-CH2 4.05Å; I12-W28 HydrophobicContact CB-CZ3 4.08Å; I12-W28 HydrophobicContact CG2-CH2 3.81Å; I12-W28 HydrophobicContact CG2-CZ3 3.78Å; I12-F71 WeakPolarHBondContact O-CA 3.48Å; I12-F72 HydrophobicContact CB-CB 4.44Å; I12-F72 HydrophobicContact CB-CD1 4.38Å; I12-F72 HydrophobicContact CD1-CD1 3.99Å; I12-F72 HydrophobicContact CD1-CE1 4.36Å; I12-F72 HydrophobicContact CG1-CD1 4.14Å; I12-F72 PolarHBondContact N-O 2.88Å; I12-F72 PolarHBondContact O-N 2.99Å; I12-Y85 VanDerWaalsContact CD1-CB 3.49Å; I12-Y85 HydrophobicContact CD1-CD1 4.03Å; I12-Y85 HydrophobicContact CD1-CD2 4.08Å; I12-Y85 HydrophobicContact CD1-CG 3.6Å
13	T	96.3	Very high	84.9	Confident	70 Å²	70	72.5 Å²	72.5	43%	0.429	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.1	173	-55.1	0	0	0	0	109.4	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.17Å; T13-Q69 HydrophobicContact CG2-CG 3.94Å; T13-F71 HydrophobicContact CG2-CD1 3.9Å; T13-F71 HydrophobicContact CG2-CE1 3.59Å; T13-F71 HydrophobicContact CG2-CZ 4.41Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.35Å
14	C	95.8	Very high	86.3	Confident	11 Å²	11	67.8 Å²	67.8	7%	0.074	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.7	169.3	177	0	0	0	0	109	W28 Q69 V70 C87	C14-W28 HydrophobicContact CB-CH2 3.62Å; C14-W28 HydrophobicContact CB-CZ2 3.78Å; C14-Q69 CarbonylContact O-C 3.58Å; C14-Q69 WeakPolarHBondContact O-CA 3.39Å; C14-V70 HydrophobicContact CB-CB 4.43Å; C14-V70 PolarHBondContact N-O 2.83Å; C14-V70 PolarHBondContact O-N 3.26Å; C14-C87 HydrophobicContact CB-CB 3.47Å; C14-C87 VanDerWaalsContact CB-CB 3.47Å; C14-C87 WeakPolarHBondContact CB-SG 3.2Å; C14-C87 WeakPolarHBondContact SG-CB 3.36Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 3.39Å
15	T	96.4	Very high	87.8	Confident	93 Å²	93	65.2 Å²	65.2	57%	0.571	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	125	171.8	-54.2	0	0	0	0	108.3	S68 Q69	T15-S68 WeakPolarHBondContact CA-O 3.39Å; T15-Q69 HydrophobicContact CG2-CG 4.26Å; T15-Q69 PolarHBondContact OG1-NE2 2.92Å
16	V	93.1	Very high	89.2	Confident	15 Å²	15	58.8 Å²	58.8	9%	0.091	38%	0.378	C	S	.	.			trans	-101	148.1	-178.6	-56.4	0	0	0	0	111	F19 L21 V26 S68	V16-F19 HydrophobicContact CB-CD1 4.46Å; V16-F19 HydrophobicContact CB-CE1 3.66Å; V16-F19 HydrophobicContact CB-CE2 4.13Å; V16-F19 HydrophobicContact CB-CZ 3.48Å; V16-F19 VanDerWaalsContact CB-CZ 3.48Å; V16-F19 HydrophobicContact CG1-CE1 4.06Å; V16-F19 HydrophobicContact CG1-CE2 4.22Å; V16-F19 HydrophobicContact CG1-CZ 3.48Å; V16-F19 VanDerWaalsContact CG1-CZ 3.48Å; V16-F19 HydrophobicContact CG2-CE1 4.33Å; V16-F19 HydrophobicContact CG2-CE2 4.07Å; V16-F19 HydrophobicContact CG2-CZ 3.94Å; V16-L21 HydrophobicContact CB-CD2 4.5Å; V16-L21 HydrophobicContact CG1-CD2 4.13Å; V16-L21 HydrophobicContact CG2-CD1 4.21Å; V16-L21 HydrophobicContact CG2-CD2 3.6Å; V16-L21 HydrophobicContact CG2-CG 3.69Å; V16-V26 HydrophobicContact CG1-CG2 4.4Å; V16-S68 WeakPolarHBondContact CG2-O 3.32Å; V16-S68 PolarHBondContact N-O 2.79Å
17	S	93.3	Very high	90.8	Very high	108 Å²	108	56.1 Å²	56.1	76%	0.755	36%	0.357	S	S	*	.			trans	-139.5	154.4	174.8	62.4	0	0	0	0	110	F19	S17-F19 VanDerWaalsContact C-N 3.29Å; S17-F19 WeakPolarHBondContact O-CD1 3.32Å; S17-F19 PolarHBondContact O-N 3.02Å
18	G	91.3	Very high	92.4	Very high	83 Å²	83	51 Å²	51	86%	0.856	32%	0.32	S	S	*	.	S	Bend	trans	77.7	5.2	-179.3	0	0	0	0	0	115.5
19	F	89.2	Confident	93.1	Very high	41 Å²	41	47.5 Å²	47.5	18%	0.18	31%	0.306	C	S	.	.	S	Bend	trans	-158.6	164.2	170.1	66.8	-83.2	0	0	0	112	V16 S17 L21 Y24 V26 R89	V16-F19 HydrophobicContact CB-CD1 4.46Å; V16-F19 HydrophobicContact CB-CE1 3.66Å; V16-F19 HydrophobicContact CB-CE2 4.13Å; V16-F19 HydrophobicContact CB-CZ 3.48Å; V16-F19 VanDerWaalsContact CB-CZ 3.48Å; V16-F19 HydrophobicContact CG1-CE1 4.06Å; V16-F19 HydrophobicContact CG1-CE2 4.22Å; V16-F19 HydrophobicContact CG1-CZ 3.48Å; V16-F19 VanDerWaalsContact CG1-CZ 3.48Å; V16-F19 HydrophobicContact CG2-CE1 4.33Å; V16-F19 HydrophobicContact CG2-CE2 4.07Å; V16-F19 HydrophobicContact CG2-CZ 3.94Å; S17-F19 VanDerWaalsContact C-N 3.29Å; S17-F19 WeakPolarHBondContact O-CD1 3.32Å; S17-F19 PolarHBondContact O-N 3.02Å; F19-L21 HydrophobicContact CE2-CD2 4.06Å; F19-Y24 HydrophobicContact CB-CD2 3.88Å; F19-Y24 HydrophobicContact CB-CE2 4.07Å; F19-Y24 AromaticContact CD2-CD2 3.84Å; F19-Y24 HydrophobicContact CD2-CD2 3.84Å; F19-Y24 HydrophobicContact CD2-CG 4.04Å; F19-Y24 HydrophobicContact CG-CD2 4.24Å; F19-V26 HydrophobicContact CE2-CG2 4.21Å; F19-V26 HydrophobicContact CZ-CG2 4.32Å; F19-R89 HydrophobicContact CD2-CG 4.21Å; F19-R89 HydrophobicContact CE1-CB 4.12Å; F19-R89 HydrophobicContact CE1-CG 4.24Å; F19-R89 HydrophobicContact CE2-CB 4.31Å; F19-R89 HydrophobicContact CE2-CG 3.85Å; F19-R89 HydrophobicContact CZ-CB 3.82Å; F19-R89 HydrophobicContact CZ-CG 3.85Å
20	S	92.2	Very high	93.6	Very high	51 Å²	51	45.3 Å²	45.3	36%	0.357	29%	0.289	S	S	.	.			trans	-96.4	136.4	175.3	-177.1	0	0	0	0	112.5	T22 S23 Y24	S20-T22 PolarHBondContact O-N 2.83Å; S20-T22 PolarHBondContact OG-N 3.09Å; S20-T22 PolarHBondContact OG-OG1 3.32Å; S20-S23 PolarHBondContact O-N 3.48Å; S20-Y24 PolarHBondContact O-N 3.4Å; S20-Y24 VanDerWaalsContact O-N 3.16Å
21	L	93.6	Very high	93.9	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.2	171.5	-66	-179.5	0	0	0	113.8	V16 F19 S23 V26 K63 N65 Q69 V70	V16-L21 HydrophobicContact CB-CD2 4.5Å; V16-L21 HydrophobicContact CG1-CD2 4.13Å; V16-L21 HydrophobicContact CG2-CD1 4.21Å; V16-L21 HydrophobicContact CG2-CD2 3.6Å; V16-L21 HydrophobicContact CG2-CG 3.69Å; F19-L21 HydrophobicContact CE2-CD2 4.06Å; L21-S23 VanDerWaalsContact C-N 3.35Å; L21-V26 HydrophobicContact CD2-CG2 3.54Å; L21-K63 HydrophobicContact CB-CD 4.46Å; L21-K63 HydrophobicContact CD1-CB 4.4Å; L21-K63 PolarHBondContact O-NZ 2.99Å; L21-N65 VanDerWaalsContact CB-OD1 3.28Å; L21-N65 WeakPolarHBondContact CB-OD1 3.28Å; L21-Q69 WeakPolarHBondContact CD1-O 3.46Å; L21-V70 HydrophobicContact CD1-CG2 3.81Å; L21-V70 HydrophobicContact CD2-CG2 3.63Å; L21-V70 HydrophobicContact CG-CG2 4.41Å
22	T	93.6	Very high	94	Very high	82 Å²	82	44 Å²	44	50%	0.503	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-14.1	170.9	60.4	0	0	0	0	112.8	S20 S45 N65	S20-T22 PolarHBondContact O-N 2.83Å; S20-T22 PolarHBondContact OG-N 3.09Å; S20-T22 PolarHBondContact OG-OG1 3.32Å; T22-S45 WeakPolarHBondContact O-CB 3.47Å; T22-N65 HydrophobicContact CG2-CB 4.25Å
23	S	92.5	Very high	94	Very high	78 Å²	78	47.4 Å²	47.4	55%	0.545	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-23.9	-178.3	-52	0	0	0	0	112.9	S20 L21	S20-S23 PolarHBondContact O-N 3.48Å; L21-S23 VanDerWaalsContact C-N 3.35Å
24	Y	92	Very high	93.8	Very high	87 Å²	87	48.5 Å²	48.5	34%	0.341	32%	0.324	S	S	.	.			trans	-127	146.9	-176.8	-65.3	-92.4	0	0	0	112.5	F19 S20 R89	F19-Y24 HydrophobicContact CB-CD2 3.88Å; F19-Y24 HydrophobicContact CB-CE2 4.07Å; F19-Y24 AromaticContact CD2-CD2 3.84Å; F19-Y24 HydrophobicContact CD2-CD2 3.84Å; F19-Y24 HydrophobicContact CD2-CG 4.04Å; F19-Y24 HydrophobicContact CG-CD2 4.24Å; S20-Y24 PolarHBondContact O-N 3.4Å; S20-Y24 VanDerWaalsContact O-N 3.16Å; Y24-R89 HydrophobicContact CD1-CG 3.85Å; Y24-R89 HydrophobicContact CG-CG 3.97Å
25	G	93.5	Very high	93.6	Very high	6 Å²	6	53.6 Å²	53.6	6%	0.062	35%	0.345	C	S	.	.			trans	-82	152.2	165.7	0	0	0	0	0	111.9	I43 K90	G25-I43 CarbonylContact C-O 3.47Å; G25-I43 WeakPolarHBondContact CA-O 3.37Å; G25-K90 PolarHBondContact O-N 2.94Å
26	V	96.4	Very high	93.5	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.012	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.4	176.5	177.3	0	0	0	0	109.3	V16 F19 L21 V42 I43 V70 C87 A88	V16-V26 HydrophobicContact CG1-CG2 4.4Å; F19-V26 HydrophobicContact CE2-CG2 4.21Å; F19-V26 HydrophobicContact CZ-CG2 4.32Å; L21-V26 HydrophobicContact CD2-CG2 3.54Å; V26-V42 WeakPolarHBondContact O-CA 3.36Å; V26-V42 WeakPolarHBondContact O-CG2 3.36Å; V26-I43 HydrophobicContact CB-CG2 4.4Å; V26-I43 PolarHBondContact N-O 2.9Å; V26-I43 PolarHBondContact O-N 2.81Å; V26-V70 HydrophobicContact CB-CG1 4.39Å; V26-V70 HydrophobicContact CB-CG2 3.95Å; V26-V70 HydrophobicContact CG1-CB 4.3Å; V26-V70 HydrophobicContact CG1-CG1 4.22Å; V26-V70 HydrophobicContact CG1-CG2 4.11Å; V26-V70 HydrophobicContact CG2-CG2 3.86Å; V26-C87 HydrophobicContact CG1-CB 4.09Å; V26-A88 CarbonylContact C-O 3.56Å; V26-A88 WeakPolarHBondContact CA-O 3.41Å
27	H	96.1	Very high	93.5	Very high	35 Å²	35	56.6 Å²	56.6	16%	0.162	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	145.4	177.5	-64.9	-102	0	0	0	110.3	W39 G41 C87 A88	H27-W39 AromaticContact ND1-CD1 3.89Å; H27-W39 AromaticContact ND1-NE1 3.25Å; H27-W39 PolarHBondContact ND1-NE1 2.84Å; H27-G41 WeakPolarHBondContact CA-O 3.44Å; H27-C87 CarbonylContact O-C 3.54Å; H27-C87 VanDerWaalsContact O-CA 3.31Å; H27-C87 WeakPolarHBondContact O-CA 3.38Å; H27-A88 PolarHBondContact N-O 3.33Å; H27-A88 PolarHBondContact O-N 3.31Å
28	W	96.4	Very high	93.6	Very high	3 Å²	3	54.1 Å²	54.1	1%	0.011	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.8	167.6	-70.4	94.4	0	0	0	109.4	I12 C14 L40 G41 I61 V70 F72 Y86 C87	I12-W28 HydrophobicContact CB-CH2 4.05Å; I12-W28 HydrophobicContact CB-CZ3 4.08Å; I12-W28 HydrophobicContact CG2-CH2 3.81Å; I12-W28 HydrophobicContact CG2-CZ3 3.78Å; C14-W28 HydrophobicContact CB-CH2 3.62Å; C14-W28 HydrophobicContact CB-CZ2 3.78Å; W28-L40 HydrophobicContact CB-CB 4.21Å; W28-L40 WeakPolarHBondContact O-CB 3.17Å; W28-L40 PolarHBondContact O-N 2.98Å; W28-G41 PolarHBondContact N-O 2.8Å; W28-G41 PolarHBondContact O-N 2.97Å; W28-I61 HydrophobicContact CG-CD1 4.49Å; W28-V70 HydrophobicContact CZ2-CB 4.38Å; W28-V70 HydrophobicContact CZ2-CG1 4.03Å; W28-F72 HydrophobicContact CB-CD2 4.05Å; W28-F72 HydrophobicContact CB-CE2 4.33Å; W28-F72 HydrophobicContact CD2-CB 3.59Å; W28-F72 AromaticContact CD2-CD2 3.93Å; W28-F72 HydrophobicContact CD2-CD2 3.93Å; W28-F72 AromaticContact CD2-CG 3.95Å; W28-F72 HydrophobicContact CD2-CG 3.95Å; W28-F72 HydrophobicContact CE3-CB 3.85Å; W28-F72 HydrophobicContact CE3-CD2 4.35Å; W28-F72 HydrophobicContact CE3-CG 4.07Å; W28-F72 HydrophobicContact CG-CB 4.21Å; W28-F72 AromaticContact CG-CD2 3.77Å; W28-F72 HydrophobicContact CG-CD2 3.77Å; W28-F72 HydrophobicContact CG-CG 4.29Å; W28-F72 HydrophobicContact CH2-CB 3.71Å; W28-F72 HydrophobicContact CZ2-CB 3.47Å; W28-F72 VanDerWaalsContact CZ2-CB 3.47Å; W28-F72 HydrophobicContact CZ3-CB 3.91Å; W28-F72 HydrophobicContact CZ3-CG 4.44Å; W28-Y86 WeakPolarHBondContact CA-O 3.5Å; W28-C87 HydrophobicContact CD2-CB 4.4Å; W28-C87 HydrophobicContact CE3-CB 4.18Å; W28-C87 HydrophobicContact CH2-CB 4.1Å; W28-C87 HydrophobicContact CZ2-CB 4.29Å; W28-C87 HydrophobicContact CZ3-CB 4.03Å
29	V	95.6	Very high	93.7	Very high	25 Å²	25	54.4 Å²	54.4	15%	0.152	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.4	-177.7	-175.2	0	0	0	0	107.5	L37 E38 Y86	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.77Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; V29-E38 CarbonylContact C-O 3.43Å; V29-E38 WeakPolarHBondContact CA-O 3.04Å; V29-E38 WeakPolarHBondContact CG1-O 3.37Å; V29-Y86 PolarHBondContact N-O 3.07Å; V29-Y86 PolarHBondContact O-N 3.03Å
30	R	94.6	Very high	94	Very high	12 Å²	12	52.4 Å²	52.4	5%	0.045	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	157.3	170.7	70.2	174.4	-169.8	177.6	15.9	112.1	E38 L40 F55 D81 A83 I84 Y85	R30-E38 HydrophobicContact CG-CB 3.98Å; R30-E38 IonicContact CZ-OE2 2.92Å; R30-E38 VanDerWaalsContact CZ-OE2 3.31Å; R30-E38 PolarHBondContact N-O 2.86Å; R30-E38 IonicContact NE-OE2 2.86Å; R30-E38 PolarHBondContact NE-OE2 3.12Å; R30-E38 IonicContact NH2-OE2 2.79Å; R30-E38 PolarHBondContact NH2-OE2 2.69Å; R30-E38 PolarHBondContact O-N 3.25Å; R30-L40 HydrophobicContact CB-CD1 3.92Å; R30-L40 HydrophobicContact CB-CG 4.4Å; R30-L40 HydrophobicContact CG-CD1 4.06Å; R30-L40 HydrophobicContact CG-CD2 3.96Å; R30-L40 HydrophobicContact CG-CG 4.09Å; R30-F55 VanDerWaalsContact NH1-CE1 3.31Å; R30-F55 VanDerWaalsContact NH2-CE1 3.34Å; R30-D81 IonicContact NH1-OD1 3.31Å; R30-D81 PolarHBondContact NH1-OD1 2.89Å; R30-A83 HydrophobicContact CB-CB 3.87Å; R30-A83 HydrophobicContact CG-CB 4.28Å; R30-I84 CarbonylContact C-O 3.52Å; R30-I84 WeakPolarHBondContact CA-O 3.33Å; R30-Y85 HydrophobicContact CB-CD1 3.98Å; R30-Y85 HydrophobicContact CB-CE1 4Å; R30-Y85 HydrophobicContact CB-CG 4.42Å
31	Q	95.1	Very high	94.2	Very high	71 Å²	71	50 Å²	50	33%	0.332	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	108.6	172.6	-168.4	175.7	18.6	0	0	109.5	K35 L37 A83 I84 Y86	Q31-K35 WeakPolarHBondContact CG-O 3.48Å; Q31-K35 PolarHBondContact NE2-O 3.1Å; Q31-L37 HydrophobicContact CB-CD2 4.06Å; Q31-L37 HydrophobicContact CG-CD2 4.46Å; Q31-A83 WeakPolarHBondContact O-CA 3.25Å; Q31-A83 WeakPolarHBondContact O-CB 3.41Å; Q31-I84 PolarHBondContact N-O 2.84Å; Q31-I84 PolarHBondContact O-N 3.46Å; Q31-Y86 HydrophobicContact CB-CE2 3.88Å
32	S	93.8	Very high	94.3	Very high	9 Å²	9	50 Å²	50	6%	0.063	29%	0.294	C	S	.	.			trans	-75	153.2	172.2	-56.4	0	0	0	0	110.6	G34 K35	S32-G34 PolarHBondContact O-N 2.85Å; S32-K35 PolarHBondContact O-N 3.2Å
33	P	93	Very high	94.5	Very high	111 Å²	111	46.4 Å²	46.4	72%	0.721	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	126.1	175.5	-25	34.3	0	0	0	111.6	K35	P33-K35 PolarHBondContact O-N 2.9Å
34	G	92.7	Very high	94.6	Very high	93 Å²	93	46.2 Å²	46.2	96%	0.959	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	5	-179.3	0	0	0	0	0	115.8	S32	S32-G34 PolarHBondContact O-N 2.85Å
35	K	92.1	Very high	94.7	Very high	119 Å²	119	44.5 Å²	44.5	52%	0.517	26%	0.26	S	S	.	.	S	Bend	trans	-112.4	163.6	176.2	-61.7	-168	-178.9	177.4	0	112.2	Q31 S32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.48Å; Q31-K35 PolarHBondContact NE2-O 3.1Å; S32-K35 PolarHBondContact O-N 3.2Å; P33-K35 PolarHBondContact O-N 2.9Å
36	G	93.1	Very high	94.7	Very high	50 Å²	50	47.8 Å²	47.8	52%	0.515	29%	0.294	S	S	.	.			trans	-72.2	-178.7	172	0	0	0	0	0	113.1
37	L	94.1	Very high	94.5	Very high	120 Å²	120	49.3 Å²	49.3	63%	0.628	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	126.7	173.8	-69.3	169.7	0	0	0	110.4	V29 Q31 Y86	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.77Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; Q31-L37 HydrophobicContact CB-CD2 4.06Å; Q31-L37 HydrophobicContact CG-CD2 4.46Å; L37-Y86 HydrophobicContact CD2-CD2 4.27Å; L37-Y86 HydrophobicContact CD2-CE2 4.23Å
38	E	94.1	Very high	94.5	Very high	57 Å²	57	51 Å²	51	27%	0.266	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120	175.9	-64.6	-175.5	141.1	0	0	109.7	V29 R30	V29-E38 CarbonylContact C-O 3.43Å; V29-E38 WeakPolarHBondContact CA-O 3.04Å; V29-E38 WeakPolarHBondContact CG1-O 3.37Å; R30-E38 HydrophobicContact CG-CB 3.98Å; R30-E38 IonicContact CZ-OE2 2.92Å; R30-E38 VanDerWaalsContact CZ-OE2 3.31Å; R30-E38 PolarHBondContact N-O 2.86Å; R30-E38 IonicContact NE-OE2 2.86Å; R30-E38 PolarHBondContact NE-OE2 3.12Å; R30-E38 IonicContact NH2-OE2 2.79Å; R30-E38 PolarHBondContact NH2-OE2 2.69Å; R30-E38 PolarHBondContact O-N 3.25Å
39	W	95	Very high	94.5	Very high	88 Å²	88	53 Å²	53	33%	0.333	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	132.9	174.9	179.6	73.3	0	0	0	110.7	H27 G41 V42 D50 N52	H27-W39 AromaticContact ND1-CD1 3.89Å; H27-W39 AromaticContact ND1-NE1 3.25Å; H27-W39 PolarHBondContact ND1-NE1 2.84Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 PolarHBondContact NE1-O 2.97Å; W39-V42 HydrophobicContact CZ2-CB 4.07Å; W39-V42 HydrophobicContact CZ2-CG1 3.89Å; W39-D50 HydrophobicContact CH2-CB 4Å; W39-D50 HydrophobicContact CZ2-CB 4.43Å; W39-N52 HydrophobicContact CE3-CB 3.87Å; W39-N52 HydrophobicContact CZ3-CB 3.99Å; W39-N52 VanDerWaalsContact O-CB 3.28Å; W39-N52 WeakPolarHBondContact O-CB 3.47Å; W39-N52 PolarHBondContact O-ND2 2.64Å
40	L	95	Very high	94.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-39.5	-177.5	-65.5	175.5	0	0	0	112.6	W28 R30 N52 F55 L59 F72 Y85	W28-L40 HydrophobicContact CB-CB 4.21Å; W28-L40 WeakPolarHBondContact O-CB 3.17Å; W28-L40 PolarHBondContact O-N 2.98Å; R30-L40 HydrophobicContact CB-CD1 3.92Å; R30-L40 HydrophobicContact CB-CG 4.4Å; R30-L40 HydrophobicContact CG-CD1 4.06Å; R30-L40 HydrophobicContact CG-CD2 3.96Å; R30-L40 HydrophobicContact CG-CG 4.09Å; L40-N52 PolarHBondContact O-N 2.83Å; L40-F55 HydrophobicContact CD2-CD1 4.31Å; L40-F55 HydrophobicContact CD2-CD2 3.72Å; L40-F55 HydrophobicContact CD2-CE2 3.91Å; L40-F55 HydrophobicContact CD2-CG 3.95Å; L40-F55 HydrophobicContact CD2-CZ 4.32Å; L40-L59 HydrophobicContact CB-CD1 4.04Å; L40-L59 WeakPolarHBondContact O-CD1 3.24Å; L40-F72 HydrophobicContact CB-CE2 4.32Å; L40-F72 HydrophobicContact CD1-CE2 3.84Å; L40-F72 HydrophobicContact CD1-CZ 3.72Å; L40-Y85 HydrophobicContact CD1-CD1 3.78Å; L40-Y85 HydrophobicContact CD1-CE1 3.71Å
41	G	95.8	Very high	94.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.1	177.5	-176.9	0	0	0	0	0	112.6	H27 W28 W39 D50	H27-G41 WeakPolarHBondContact CA-O 3.44Å; W28-G41 PolarHBondContact N-O 2.8Å; W28-G41 PolarHBondContact O-N 2.97Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 PolarHBondContact NE1-O 2.97Å; G41-D50 CarbonylContact C-O 3.53Å; G41-D50 WeakPolarHBondContact CA-O 3.36Å
42	V	96.5	Very high	94.4	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.006	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	146.5	177.1	65.8	0	0	0	0	109.3	V26 W39 W44 T49 D50	V26-V42 WeakPolarHBondContact O-CA 3.36Å; V26-V42 WeakPolarHBondContact O-CG2 3.36Å; W39-V42 HydrophobicContact CZ2-CB 4.07Å; W39-V42 HydrophobicContact CZ2-CG1 3.89Å; V42-W44 HydrophobicContact CG1-CD2 4.27Å; V42-W44 HydrophobicContact CG1-CH2 4.5Å; V42-W44 HydrophobicContact CG1-CZ2 3.73Å; V42-W44 HydrophobicContact CG2-CD2 4.26Å; V42-W44 HydrophobicContact CG2-CE3 4.35Å; V42-W44 HydrophobicContact CG2-CZ2 4.45Å; V42-W44 HydrophobicContact CG2-CZ3 4.47Å; V42-T49 VanDerWaalsContact O-CA 3.24Å; V42-T49 WeakPolarHBondContact O-CA 3.25Å; V42-D50 HydrophobicContact CG1-CB 3.9Å; V42-D50 PolarHBondContact N-O 3.49Å; V42-D50 PolarHBondContact O-N 3.22Å
43	I	96.8	Very high	94.3	Very high	8 Å²	8	60 Å²	60	4%	0.041	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.7	159.6	-171.1	161.7	0	0	0	109	G25 V26 S48 T49 I61 K63 V70	G25-I43 CarbonylContact C-O 3.47Å; G25-I43 WeakPolarHBondContact CA-O 3.37Å; V26-I43 HydrophobicContact CB-CG2 4.4Å; V26-I43 PolarHBondContact N-O 2.9Å; V26-I43 PolarHBondContact O-N 2.81Å; I43-S48 WeakPolarHBondContact CA-O 3.27Å; I43-T49 HydrophobicContact CB-CG2 3.94Å; I43-T49 HydrophobicContact CD1-CG2 3.97Å; I43-T49 HydrophobicContact CG1-CG2 3.81Å; I43-I61 HydrophobicContact CB-CG2 3.72Å; I43-I61 HydrophobicContact CG2-CG2 3.75Å; I43-K63 HydrophobicContact CD1-CB 3.99Å; I43-K63 HydrophobicContact CD1-CD 3.88Å; I43-K63 HydrophobicContact CD1-CG 3.69Å; I43-K63 HydrophobicContact CG1-CD 4.06Å; I43-K63 HydrophobicContact CG1-CG 4.42Å; I43-K63 HydrophobicContact CG2-CD 4.42Å; I43-V70 HydrophobicContact CG2-CG1 3.76Å
44	W	95.9	Very high	94.1	Very high	73 Å²	73	58.1 Å²	58.1	28%	0.277	38%	0.379	S	S	.	.			trans	-77	166.7	-178.8	-62.5	106.9	0	0	0	111.5	V42 G46 G47 S48 D50 K63 K90	V42-W44 HydrophobicContact CG1-CD2 4.27Å; V42-W44 HydrophobicContact CG1-CH2 4.5Å; V42-W44 HydrophobicContact CG1-CZ2 3.73Å; V42-W44 HydrophobicContact CG2-CD2 4.26Å; V42-W44 HydrophobicContact CG2-CE3 4.35Å; V42-W44 HydrophobicContact CG2-CZ2 4.45Å; V42-W44 HydrophobicContact CG2-CZ3 4.47Å; W44-G46 PolarHBondContact O-N 3.37Å; W44-G47 PolarHBondContact O-N 2.92Å; W44-S48 VanDerWaalsContact CD1-OG 3.27Å; W44-S48 PolarHBondContact N-O 3.02Å; W44-D50 PolarHBondContact NE1-OD2 2.94Å; W44-K63 PolarHBondContact O-NZ 3.17Å; W44-K90 HydrophobicContact CH2-CD 4.4Å; W44-K90 HydrophobicContact CZ3-CD 3.99Å
45	S	93.9	Very high	93.7	Very high	52 Å²	52	54.6 Å²	54.6	36%	0.364	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-37	176	51.1	0	0	0	0	112.4	T22 G47 K63	T22-S45 WeakPolarHBondContact O-CB 3.47Å; S45-G47 PolarHBondContact O-N 3.07Å; S45-K63 VanDerWaalsContact C-NZ 3.28Å; S45-K63 PolarHBondContact O-NZ 2.82Å
46	G	92.7	Very high	93.5	Very high	74 Å²	74	53.5 Å²	53.5	76%	0.763	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-7.3	173.9	0	0	0	0	0	115.3	W44	W44-G46 PolarHBondContact O-N 3.37Å
47	G	93.3	Very high	93.4	Very high	35 Å²	35	56.3 Å²	56.3	36%	0.361	35%	0.348	S	S	.	.	S	Bend	trans	90.8	-5.7	179	0	0	0	0	0	115.3	W44 S45	W44-G47 PolarHBondContact O-N 2.92Å; S45-G47 PolarHBondContact O-N 3.07Å
48	S	95	Very high	93.3	Very high	69 Å²	69	52 Å²	52	48%	0.483	32%	0.324	S	S	.	.			trans	-62.5	149.6	168.3	52	0	0	0	0	110.9	I43 W44	I43-S48 WeakPolarHBondContact CA-O 3.27Å; W44-S48 VanDerWaalsContact CD1-OG 3.27Å; W44-S48 PolarHBondContact N-O 3.02Å
49	T	96	Very high	93.2	Very high	47 Å²	47	50 Å²	50	29%	0.288	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.2	-179.8	50.8	0	0	0	0	110.6	V42 I43 Y51 I61	V42-T49 VanDerWaalsContact O-CA 3.24Å; V42-T49 WeakPolarHBondContact O-CA 3.25Å; I43-T49 HydrophobicContact CB-CG2 3.94Å; I43-T49 HydrophobicContact CD1-CG2 3.97Å; I43-T49 HydrophobicContact CG1-CG2 3.81Å; T49-Y51 VanDerWaalsContact OG1-CE2 3.27Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.49Å; T49-Y51 PolarHBondContact OG1-OH 2.94Å; T49-I61 HydrophobicContact CG2-CB 4.37Å
50	D	95.5	Very high	93.2	Very high	78 Å²	78	48.5 Å²	48.5	42%	0.417	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.4	166.5	-57.9	-46.8	0	0	0	108.8	W39 G41 V42 W44	W39-D50 HydrophobicContact CH2-CB 4Å; W39-D50 HydrophobicContact CZ2-CB 4.43Å; G41-D50 CarbonylContact C-O 3.53Å; G41-D50 WeakPolarHBondContact CA-O 3.36Å; V42-D50 HydrophobicContact CG1-CB 3.9Å; V42-D50 PolarHBondContact N-O 3.49Å; V42-D50 PolarHBondContact O-N 3.22Å; W44-D50 PolarHBondContact NE1-OD2 2.94Å
51	Y	95.2	Very high	93.2	Very high	52 Å²	52	48.9 Å²	48.9	20%	0.204	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.9	-177.6	-59.4	-85.3	0	0	0	110.4	T49 A53 I56 L59 I61	T49-Y51 VanDerWaalsContact OG1-CE2 3.27Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.49Å; T49-Y51 PolarHBondContact OG1-OH 2.94Å; Y51-A53 PolarHBondContact O-N 2.74Å; Y51-I56 HydrophobicContact CD2-CD1 4.27Å; Y51-I56 HydrophobicContact CD2-CG1 4.06Å; Y51-I56 HydrophobicContact CG-CG1 4.08Å; Y51-L59 HydrophobicContact CD1-CB 3.81Å; Y51-L59 HydrophobicContact CD1-CD1 4.28Å; Y51-L59 HydrophobicContact CE1-CB 4Å; Y51-I61 HydrophobicContact CD1-CD1 4.08Å; Y51-I61 HydrophobicContact CE1-CB 4.26Å; Y51-I61 HydrophobicContact CE1-CD1 3.73Å; Y51-I61 HydrophobicContact CE1-CG1 3.85Å; Y51-I61 PolarHBondContact OH-N 2.76Å
52	N	93.4	Very high	93.3	Very high	48 Å²	48	51.5 Å²	51.5	26%	0.257	34%	0.338	S	S	.	.			trans	-70	128.7	165.3	-177.7	-28.4	0	0	0	109.3	W39 L40 A54 F55 I56	W39-N52 HydrophobicContact CE3-CB 3.87Å; W39-N52 HydrophobicContact CZ3-CB 3.99Å; W39-N52 VanDerWaalsContact O-CB 3.28Å; W39-N52 WeakPolarHBondContact O-CB 3.47Å; W39-N52 PolarHBondContact O-ND2 2.64Å; L40-N52 PolarHBondContact O-N 2.83Å; N52-A54 PolarHBondContact O-N 3.06Å; N52-A54 VanDerWaalsContact O-N 3.09Å; N52-A54 PolarHBondContact OD1-N 3.06Å; N52-F55 HydrophobicContact CB-CD2 3.97Å; N52-F55 PolarHBondContact O-N 3.45Å; N52-I56 PolarHBondContact O-N 3.3Å
53	A	91.4	Very high	93.2	Very high	85 Å²	85	53.4 Å²	53.4	70%	0.702	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-30.4	-177.5	0	0	0	0	0	113.4	Y51 F55 I56	Y51-A53 PolarHBondContact O-N 2.74Å; A53-F55 PolarHBondContact O-N 2.84Å; A53-I56 WeakPolarHBondContact O-CG2 3.01Å
54	A	87.9	Confident	93.2	Very high	71 Å²	71	55 Å²	55	59%	0.587	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-22	177.6	0	0	0	0	0	113.7	N52	N52-A54 PolarHBondContact O-N 3.06Å; N52-A54 VanDerWaalsContact O-N 3.09Å; N52-A54 PolarHBondContact OD1-N 3.06Å
55	F	85.4	Confident	93.1	Very high	19 Å²	19	54.9 Å²	54.9	8%	0.083	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-9.1	-172.6	-55.7	-79.8	0	0	0	113.7	R30 L40 N52 A53 S57 R58 L59 M74	R30-F55 VanDerWaalsContact NH1-CE1 3.31Å; R30-F55 VanDerWaalsContact NH2-CE1 3.34Å; L40-F55 HydrophobicContact CD2-CD1 4.31Å; L40-F55 HydrophobicContact CD2-CD2 3.72Å; L40-F55 HydrophobicContact CD2-CE2 3.91Å; L40-F55 HydrophobicContact CD2-CG 3.95Å; L40-F55 HydrophobicContact CD2-CZ 4.32Å; N52-F55 HydrophobicContact CB-CD2 3.97Å; N52-F55 PolarHBondContact O-N 3.45Å; A53-F55 PolarHBondContact O-N 2.84Å; F55-S57 PolarHBondContact O-N 2.86Å; F55-R58 PolarHBondContact O-N 3.27Å; F55-L59 HydrophobicContact CB-CD1 3.37Å; F55-L59 HydrophobicContact CB-CG 3.73Å; F55-L59 HydrophobicContact CG-CD1 4.37Å; F55-L59 WeakPolarHBondContact O-CG 2.97Å; F55-L59 PolarHBondContact O-N 3.47Å; F55-L59 VanDerWaalsContact O-N 3.17Å; F55-M74 HydrophobicContact CD1-CE 4.05Å
56	I	88.3	Confident	93.1	Very high	96 Å²	96	57.4 Å²	57.4	49%	0.492	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-34.1	-171.3	-167.7	166.9	0	0	0	114.2	Y51 N52 A53 R58	Y51-I56 HydrophobicContact CD2-CD1 4.27Å; Y51-I56 HydrophobicContact CD2-CG1 4.06Å; Y51-I56 HydrophobicContact CG-CG1 4.08Å; N52-I56 PolarHBondContact O-N 3.3Å; A53-I56 WeakPolarHBondContact O-CG2 3.01Å; I56-R58 PolarHBondContact O-N 3.3Å
57	S	89.7	Confident	93.2	Very high	109 Å²	109	59.9 Å²	59.9	76%	0.762	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.4	-179.4	59.1	0	0	0	0	113.9	F55	F55-S57 PolarHBondContact O-N 2.86Å
58	R	92.1	Very high	93.3	Very high	30 Å²	30	60.3 Å²	60.3	11%	0.113	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-10.7	-173.7	-60.2	-168.9	-61.4	126.5	-0	113.6	F55 I56 M74 N75 S76 D81	F55-R58 PolarHBondContact O-N 3.27Å; I56-R58 PolarHBondContact O-N 3.3Å; R58-M74 HydrophobicContact CB-CG 4.47Å; R58-M74 CarbonylContact O-C 3.42Å; R58-M74 WeakPolarHBondContact O-CA 3.13Å; R58-N75 WeakPolarHBondContact CB-O 3.31Å; R58-N75 PolarHBondContact O-N 2.77Å; R58-S76 PolarHBondContact NH1-O 2.85Å; R58-D81 IonicContact CZ-OD1 3.93Å; R58-D81 IonicContact CZ-OD2 3.37Å; R58-D81 IonicContact NH1-OD1 3.92Å; R58-D81 IonicContact NH1-OD2 2.69Å; R58-D81 PolarHBondContact NH1-OD2 2.88Å; R58-D81 IonicContact NH2-OD1 2.97Å; R58-D81 PolarHBondContact NH2-OD1 2.71Å; R58-D81 IonicContact NH2-OD2 3.12Å; R58-D81 PolarHBondContact NH2-OD2 2.8Å; R58-D81 VanDerWaalsContact NH2-OD2 3.12Å
59	L	92.6	Very high	93.5	Very high	15 Å²	15	59.2 Å²	59.2	8%	0.079	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	147.3	-174.6	-70.8	-175.2	0	0	0	113.5	L40 Y51 F55 F72 K73 M74	L40-L59 HydrophobicContact CB-CD1 4.04Å; L40-L59 WeakPolarHBondContact O-CD1 3.24Å; Y51-L59 HydrophobicContact CD1-CB 3.81Å; Y51-L59 HydrophobicContact CD1-CD1 4.28Å; Y51-L59 HydrophobicContact CE1-CB 4Å; F55-L59 HydrophobicContact CB-CD1 3.37Å; F55-L59 HydrophobicContact CB-CG 3.73Å; F55-L59 HydrophobicContact CG-CD1 4.37Å; F55-L59 WeakPolarHBondContact O-CG 2.97Å; F55-L59 PolarHBondContact O-N 3.47Å; F55-L59 VanDerWaalsContact O-N 3.17Å; L59-F72 HydrophobicContact CD1-CE2 4.19Å; L59-F72 HydrophobicContact CD2-CD2 4.36Å; L59-F72 HydrophobicContact CD2-CE1 4.3Å; L59-F72 HydrophobicContact CD2-CE2 3.31Å; L59-F72 HydrophobicContact CD2-CZ 3.28Å; L59-F72 HydrophobicContact CG-CE2 4.32Å; L59-K73 CarbonylContact C-O 3.55Å; L59-K73 WeakPolarHBondContact CA-O 3.36Å; L59-M74 HydrophobicContact CD2-CB 3.8Å; L59-M74 HydrophobicContact CD2-CE 3.38Å; L59-M74 HydrophobicContact CD2-CG 3.91Å; L59-M74 HydrophobicContact CD2-SD 4.46Å; L59-M74 HydrophobicContact CG-CE 4.25Å
60	S	94.7	Very high	93.5	Very high	56 Å²	56	57 Å²	57	39%	0.392	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	127.7	166.8	-179.8	0	0	0	0	109.1	K73	S60-K73 PolarHBondContact N-O 2.03Å; S60-K73 PolarHBondContact O-N 3.16Å
61	I	96.1	Very high	93.5	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.041	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.4	175.3	-59.4	161.8	0	0	0	108.1	W28 I43 T49 Y51 V70 F71 F72	W28-I61 HydrophobicContact CG-CD1 4.49Å; I43-I61 HydrophobicContact CB-CG2 3.72Å; I43-I61 HydrophobicContact CG2-CG2 3.75Å; T49-I61 HydrophobicContact CG2-CB 4.37Å; Y51-I61 HydrophobicContact CD1-CD1 4.08Å; Y51-I61 HydrophobicContact CE1-CB 4.26Å; Y51-I61 HydrophobicContact CE1-CD1 3.73Å; Y51-I61 HydrophobicContact CE1-CG1 3.85Å; Y51-I61 PolarHBondContact OH-N 2.76Å; I61-V70 HydrophobicContact CG2-CG1 4.08Å; I61-F71 WeakPolarHBondContact CA-O 3.22Å; I61-F72 HydrophobicContact CG1-CD2 4.08Å
62	S	95.9	Very high	93.6	Very high	55 Å²	55	53.4 Å²	53.4	39%	0.385	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	168.4	174.8	67	0	0	0	0	110.7	V70 F71	S62-V70 CarbonylContact O-C 3.55Å; S62-V70 WeakPolarHBondContact O-CA 3.39Å; S62-V70 WeakPolarHBondContact O-CG1 3.26Å; S62-F71 PolarHBondContact N-O 3.39Å; S62-F71 PolarHBondContact O-N 2.92Å
63	K	95.6	Very high	93.6	Very high	41 Å²	41	55.5 Å²	55.5	18%	0.178	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.9	177.4	70.9	-177	-173.5	178.1	0	112	L21 I43 W44 S45 N65 Q69 V70	L21-K63 HydrophobicContact CB-CD 4.46Å; L21-K63 HydrophobicContact CD1-CB 4.4Å; L21-K63 PolarHBondContact O-NZ 2.99Å; I43-K63 HydrophobicContact CD1-CB 3.99Å; I43-K63 HydrophobicContact CD1-CD 3.88Å; I43-K63 HydrophobicContact CD1-CG 3.69Å; I43-K63 HydrophobicContact CG1-CD 4.06Å; I43-K63 HydrophobicContact CG1-CG 4.42Å; I43-K63 HydrophobicContact CG2-CD 4.42Å; W44-K63 PolarHBondContact O-NZ 3.17Å; S45-K63 VanDerWaalsContact C-NZ 3.28Å; S45-K63 PolarHBondContact O-NZ 2.82Å; K63-N65 WeakPolarHBondContact CD-OD1 3.43Å; K63-N65 VanDerWaalsContact CE-OD1 3.28Å; K63-N65 WeakPolarHBondContact CE-OD1 3.37Å; K63-Q69 CarbonylContact C-O 3.59Å; K63-Q69 WeakPolarHBondContact CA-O 3.36Å; K63-V70 HydrophobicContact CB-CG2 4.09Å
64	D	95.8	Very high	93.6	Very high	41 Å²	41	51.5 Å²	51.5	22%	0.219	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	102.9	169	-176	-16.9	0	0	0	108.2	S66 K67 S68 Q69 F71	D64-S66 VanDerWaalsContact C-N 3.25Å; D64-S66 PolarHBondContact O-N 3.29Å; D64-S66 WeakPolarHBondContact OD1-CB 3.49Å; D64-S66 PolarHBondContact OD1-N 2.85Å; D64-S66 PolarHBondContact OD1-OG 2.96Å; D64-K67 HydrophobicContact CB-CB 4.32Å; D64-K67 PolarHBondContact O-N 2.88Å; D64-K67 PolarHBondContact OD1-N 2.81Å; D64-K67 WeakPolarHBondContact OD2-CD 3.25Å; D64-K67 WeakPolarHBondContact OD2-CE 3.35Å; D64-K67 WeakPolarHBondContact OD2-CG 3.36Å; D64-K67 IonicContact OD2-NZ 3.67Å; D64-S68 PolarHBondContact O-N 2.81Å; D64-S68 VanDerWaalsContact O-N 3.07Å; D64-Q69 PolarHBondContact N-O 3.26Å; D64-Q69 PolarHBondContact O-N 2.84Å; D64-F71 HydrophobicContact CB-CE2 3.87Å
65	N	94.3	Very high	93.8	Very high	71 Å²	71	51.2 Å²	51.2	38%	0.38	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-31.9	-179.4	-63.9	-20.7	0	0	0	111.7	L21 T22 K63 K67 S68	L21-N65 VanDerWaalsContact CB-OD1 3.28Å; L21-N65 WeakPolarHBondContact CB-OD1 3.28Å; T22-N65 HydrophobicContact CG2-CB 4.25Å; K63-N65 WeakPolarHBondContact CD-OD1 3.43Å; K63-N65 VanDerWaalsContact CE-OD1 3.28Å; K63-N65 WeakPolarHBondContact CE-OD1 3.37Å; N65-K67 VanDerWaalsContact C-N 3.27Å; N65-K67 PolarHBondContact O-N 2.86Å; N65-S68 PolarHBondContact O-N 2.93Å
66	S	94.3	Very high	93.9	Very high	105 Å²	105	54 Å²	54	73%	0.734	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-31.3	-178.9	74.1	0	0	0	0	112	D64	D64-S66 VanDerWaalsContact C-N 3.25Å; D64-S66 PolarHBondContact O-N 3.29Å; D64-S66 WeakPolarHBondContact OD1-CB 3.49Å; D64-S66 PolarHBondContact OD1-N 2.85Å; D64-S66 PolarHBondContact OD1-OG 2.96Å
67	K	95.6	Very high	93.8	Very high	127 Å²	127	50.1 Å²	50.1	55%	0.552	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-2.9	178	-63.4	-178.4	-171.4	164.3	0	113.6	D64 N65 Q69	D64-K67 HydrophobicContact CB-CB 4.32Å; D64-K67 PolarHBondContact O-N 2.88Å; D64-K67 PolarHBondContact OD1-N 2.81Å; D64-K67 WeakPolarHBondContact OD2-CD 3.25Å; D64-K67 WeakPolarHBondContact OD2-CE 3.35Å; D64-K67 WeakPolarHBondContact OD2-CG 3.36Å; D64-K67 IonicContact OD2-NZ 3.67Å; N65-K67 VanDerWaalsContact C-N 3.27Å; N65-K67 PolarHBondContact O-N 2.86Å; K67-Q69 HydrophobicContact CB-CB 4.21Å; K67-Q69 HydrophobicContact CB-CG 4.12Å; K67-Q69 PolarHBondContact O-N 3.16Å
68	S	95.6	Very high	93.7	Very high	43 Å²	43	50 Å²	50	30%	0.301	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	42	-170.7	-60	0	0	0	0	112.1	T15 V16 D64 N65	T15-S68 WeakPolarHBondContact CA-O 3.39Å; V16-S68 WeakPolarHBondContact CG2-O 3.32Å; V16-S68 PolarHBondContact N-O 2.79Å; D64-S68 PolarHBondContact O-N 2.81Å; D64-S68 VanDerWaalsContact O-N 3.07Å; N65-S68 PolarHBondContact O-N 2.93Å
69	Q	97.2	Very high	93.4	Very high	47 Å²	47	52.2 Å²	52.2	22%	0.22	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141	-176.5	-77.4	176.5	-10.6	0	0	112	T13 C14 T15 L21 K63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.17Å; T13-Q69 HydrophobicContact CG2-CG 3.94Å; C14-Q69 CarbonylContact O-C 3.58Å; C14-Q69 WeakPolarHBondContact O-CA 3.39Å; T15-Q69 HydrophobicContact CG2-CG 4.26Å; T15-Q69 PolarHBondContact OG1-NE2 2.92Å; L21-Q69 WeakPolarHBondContact CD1-O 3.46Å; K63-Q69 CarbonylContact C-O 3.59Å; K63-Q69 WeakPolarHBondContact CA-O 3.36Å; D64-Q69 PolarHBondContact N-O 3.26Å; D64-Q69 PolarHBondContact O-N 2.84Å; K67-Q69 HydrophobicContact CB-CB 4.21Å; K67-Q69 HydrophobicContact CB-CG 4.12Å; K67-Q69 PolarHBondContact O-N 3.16Å; Q69-F71 HydrophobicContact CB-CE1 4.34Å; Q69-F71 HydrophobicContact CB-CE2 3.99Å; Q69-F71 HydrophobicContact CB-CZ 3.71Å
70	V	96.9	Very high	93	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.1	170.7	-176.7	0	0	0	0	107.9	C14 L21 V26 W28 I43 I61 S62 K63	C14-V70 HydrophobicContact CB-CB 4.43Å; C14-V70 PolarHBondContact N-O 2.83Å; C14-V70 PolarHBondContact O-N 3.26Å; L21-V70 HydrophobicContact CD1-CG2 3.81Å; L21-V70 HydrophobicContact CD2-CG2 3.63Å; L21-V70 HydrophobicContact CG-CG2 4.41Å; V26-V70 HydrophobicContact CB-CG1 4.39Å; V26-V70 HydrophobicContact CB-CG2 3.95Å; V26-V70 HydrophobicContact CG1-CB 4.3Å; V26-V70 HydrophobicContact CG1-CG1 4.22Å; V26-V70 HydrophobicContact CG1-CG2 4.11Å; V26-V70 HydrophobicContact CG2-CG2 3.86Å; W28-V70 HydrophobicContact CZ2-CB 4.38Å; W28-V70 HydrophobicContact CZ2-CG1 4.03Å; I43-V70 HydrophobicContact CG2-CG1 3.76Å; I61-V70 HydrophobicContact CG2-CG1 4.08Å; S62-V70 CarbonylContact O-C 3.55Å; S62-V70 WeakPolarHBondContact O-CA 3.39Å; S62-V70 WeakPolarHBondContact O-CG1 3.26Å; K63-V70 HydrophobicContact CB-CG2 4.09Å
71	F	96.5	Very high	92.7	Very high	55 Å²	55	54.9 Å²	54.9	24%	0.241	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.9	-178.2	-52.4	-84.7	0	0	0	109.3	I12 T13 I61 S62 D64 Q69	I12-F71 WeakPolarHBondContact O-CA 3.48Å; T13-F71 HydrophobicContact CG2-CD1 3.9Å; T13-F71 HydrophobicContact CG2-CE1 3.59Å; T13-F71 HydrophobicContact CG2-CZ 4.41Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.35Å; I61-F71 WeakPolarHBondContact CA-O 3.22Å; S62-F71 PolarHBondContact N-O 3.39Å; S62-F71 PolarHBondContact O-N 2.92Å; D64-F71 HydrophobicContact CB-CE2 3.87Å; Q69-F71 HydrophobicContact CB-CE1 4.34Å; Q69-F71 HydrophobicContact CB-CE2 3.99Å; Q69-F71 HydrophobicContact CB-CZ 3.71Å
72	F	95.4	Very high	92.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.4	172.7	169.4	-90.2	0	0	0	108.5	S11 I12 W28 L40 L59 I61 M74 Y85	S11-F72 CarbonylContact C-O 3.58Å; S11-F72 WeakPolarHBondContact CA-O 3.41Å; I12-F72 HydrophobicContact CB-CB 4.44Å; I12-F72 HydrophobicContact CB-CD1 4.38Å; I12-F72 HydrophobicContact CD1-CD1 3.99Å; I12-F72 HydrophobicContact CD1-CE1 4.36Å; I12-F72 HydrophobicContact CG1-CD1 4.14Å; I12-F72 PolarHBondContact N-O 2.88Å; I12-F72 PolarHBondContact O-N 2.99Å; W28-F72 HydrophobicContact CB-CD2 4.05Å; W28-F72 HydrophobicContact CB-CE2 4.33Å; W28-F72 HydrophobicContact CD2-CB 3.59Å; W28-F72 AromaticContact CD2-CD2 3.93Å; W28-F72 HydrophobicContact CD2-CD2 3.93Å; W28-F72 AromaticContact CD2-CG 3.95Å; W28-F72 HydrophobicContact CD2-CG 3.95Å; W28-F72 HydrophobicContact CE3-CB 3.85Å; W28-F72 HydrophobicContact CE3-CD2 4.35Å; W28-F72 HydrophobicContact CE3-CG 4.07Å; W28-F72 HydrophobicContact CG-CB 4.21Å; W28-F72 AromaticContact CG-CD2 3.77Å; W28-F72 HydrophobicContact CG-CD2 3.77Å; W28-F72 HydrophobicContact CG-CG 4.29Å; W28-F72 HydrophobicContact CH2-CB 3.71Å; W28-F72 HydrophobicContact CZ2-CB 3.47Å; W28-F72 VanDerWaalsContact CZ2-CB 3.47Å; W28-F72 HydrophobicContact CZ3-CB 3.91Å; W28-F72 HydrophobicContact CZ3-CG 4.44Å; L40-F72 HydrophobicContact CB-CE2 4.32Å; L40-F72 HydrophobicContact CD1-CE2 3.84Å; L40-F72 HydrophobicContact CD1-CZ 3.72Å; L59-F72 HydrophobicContact CD1-CE2 4.19Å; L59-F72 HydrophobicContact CD2-CD2 4.36Å; L59-F72 HydrophobicContact CD2-CE1 4.3Å; L59-F72 HydrophobicContact CD2-CE2 3.31Å; L59-F72 HydrophobicContact CD2-CZ 3.28Å; L59-F72 HydrophobicContact CG-CE2 4.32Å; I61-F72 HydrophobicContact CG1-CD2 4.08Å; F72-M74 HydrophobicContact CE1-CB 3.95Å; F72-M74 HydrophobicContact CZ-CB 4.13Å; F72-M74 HydrophobicContact CZ-CE 4.11Å; F72-Y85 AromaticContact CE1-CD1 3.96Å; F72-Y85 HydrophobicContact CE1-CD1 3.96Å; F72-Y85 AromaticContact CE1-CE1 3.86Å; F72-Y85 HydrophobicContact CE1-CE1 3.86Å; F72-Y85 HydrophobicContact CZ-CD1 4.18Å; F72-Y85 AromaticContact CZ-CE1 3.94Å; F72-Y85 HydrophobicContact CZ-CE1 3.94Å
73	K	93.9	Very high	92.2	Very high	92 Å²	92	57.8 Å²	57.8	40%	0.4	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.9	174.9	-171.1	174.9	-178.6	-178.9	0	109.6	L10 L59 S60 N75	L10-K73 CarbonylContact O-C 3.56Å; L10-K73 VanDerWaalsContact O-CA 3.25Å; L10-K73 WeakPolarHBondContact O-CA 3.46Å; L59-K73 CarbonylContact C-O 3.55Å; L59-K73 WeakPolarHBondContact CA-O 3.36Å; S60-K73 PolarHBondContact N-O 2.03Å; S60-K73 PolarHBondContact O-N 3.16Å; K73-N75 VanDerWaalsContact CE-OD1 3.26Å; K73-N75 WeakPolarHBondContact CE-OD1 3.28Å
74	M	92.4	Very high	92.2	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.8	171	-176.9	-179.9	-84.8	0	0	109	S9 L10 F55 R58 L59 F72 L77 D81	S9-M74 CarbonylContact C-O 3.55Å; S9-M74 WeakPolarHBondContact CA-O 3.49Å; L10-M74 HydrophobicContact CB-CB 4.44Å; L10-M74 PolarHBondContact N-O 3.29Å; L10-M74 PolarHBondContact O-N 3.04Å; F55-M74 HydrophobicContact CD1-CE 4.05Å; R58-M74 HydrophobicContact CB-CG 4.47Å; R58-M74 CarbonylContact O-C 3.42Å; R58-M74 WeakPolarHBondContact O-CA 3.13Å; L59-M74 HydrophobicContact CD2-CB 3.8Å; L59-M74 HydrophobicContact CD2-CE 3.38Å; L59-M74 HydrophobicContact CD2-CG 3.91Å; L59-M74 HydrophobicContact CD2-SD 4.46Å; L59-M74 HydrophobicContact CG-CE 4.25Å; F72-M74 HydrophobicContact CE1-CB 3.95Å; F72-M74 HydrophobicContact CZ-CB 4.13Å; F72-M74 HydrophobicContact CZ-CE 4.11Å; M74-L77 HydrophobicContact CB-CD2 4.3Å; M74-L77 HydrophobicContact CG-CD2 4.05Å; M74-L77 HydrophobicContact SD-CD2 3.77Å; M74-D81 HydrophobicContact SD-CB 3.99Å; M74-D81 VanDerWaalsContact SD-CG 3.58Å
75	N	90.9	Very high	92.1	Very high	66 Å²	66	60.5 Å²	60.5	35%	0.353	34%	0.337	S	S	.	.			trans	-93.1	158.6	176.9	-60.6	-46	0	0	0	111	R58 K73 L77	R58-N75 WeakPolarHBondContact CB-O 3.31Å; R58-N75 PolarHBondContact O-N 2.77Å; K73-N75 VanDerWaalsContact CE-OD1 3.26Å; K73-N75 WeakPolarHBondContact CE-OD1 3.28Å; N75-L77 PolarHBondContact O-N 3.17Å
76	S	87.5	Confident	92.1	Very high	76 Å²	76	61.4 Å²	61.4	53%	0.531	34%	0.336	S	S	.	.	S	Bend	trans	52.3	58.4	175.5	-53.7	0	0	0	0	112.1	R58	R58-S76 PolarHBondContact NH1-O 2.85Å
77	L	87.2	Confident	92.2	Very high	16 Å²	16	59 Å²	59	8%	0.084	32%	0.318	C	S	.	.			trans	-59	136.7	179.7	-69.7	167	0	0	0	111.7	V4 S7 Q8 L10 M74 N75 D81	V4-L77 HydrophobicContact CB-CD1 3.87Å; V4-L77 HydrophobicContact CG2-CD1 3.37Å; S7-L77 PolarHBondContact N-O 2.84Å; Q8-L77 WeakPolarHBondContact O-CD1 3.35Å; Q8-L77 VanDerWaalsContact O-CG 3.25Å; Q8-L77 WeakPolarHBondContact O-CG 3.46Å; Q8-L77 PolarHBondContact O-N 3.24Å; L10-L77 HydrophobicContact CB-CD1 3.81Å; L10-L77 HydrophobicContact CB-CD2 3.76Å; L10-L77 HydrophobicContact CB-CG 4.18Å; L10-L77 HydrophobicContact CD2-CD2 4.32Å; M74-L77 HydrophobicContact CB-CD2 4.3Å; M74-L77 HydrophobicContact CG-CD2 4.05Å; M74-L77 HydrophobicContact SD-CD2 3.77Å; N75-L77 PolarHBondContact O-N 3.17Å; L77-D81 HydrophobicContact CD2-CB 4.12Å
78	Q	87.9	Confident	92.1	Very high	107 Å²	107	55 Å²	55	50%	0.5	31%	0.309	S	S	.	.			trans	-112.2	162.2	176.8	-57.1	178	13.5	0	0	109.6	D80 D81	Q78-D80 PolarHBondContact O-N 2.86Å; Q78-D81 PolarHBondContact N-OD2 2.79Å; Q78-D81 WeakPolarHBondContact O-CB 3.44Å; Q78-D81 PolarHBondContact O-N 3.34Å
79	A	84.7	Confident	91.9	Very high	75 Å²	75	57.7 Å²	57.7	62%	0.62	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-55.9	-38.2	178.4	0	0	0	0	0	112.1	D81 T82	A79-D81 PolarHBondContact O-N 2.79Å; A79-T82 WeakPolarHBondContact O-CB 3.28Å; A79-T82 PolarHBondContact O-N 3.34Å; A79-T82 VanDerWaalsContact O-N 3.1Å; A79-T82 PolarHBondContact O-OG1 3.41Å
80	D	85.1	Confident	90.8	Very high	119 Å²	119	61 Å²	61	64%	0.636	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-68.3	-12.2	178.9	-68.7	-6.3	0	0	0	114	Q78 T82	Q78-D80 PolarHBondContact O-N 2.86Å; D80-T82 PolarHBondContact O-N 2.71Å
81	D	88	Confident	89	Confident	8 Å²	8	72.4 Å²	72.4	4%	0.043	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-81.9	-0.4	173.6	-59.4	-44.7	0	0	0	112.7	R30 R58 M74 L77 Q78 A79 A83 Y85	R30-D81 IonicContact NH1-OD1 3.31Å; R30-D81 PolarHBondContact NH1-OD1 2.89Å; R58-D81 IonicContact CZ-OD1 3.93Å; R58-D81 IonicContact CZ-OD2 3.37Å; R58-D81 IonicContact NH1-OD1 3.92Å; R58-D81 IonicContact NH1-OD2 2.69Å; R58-D81 PolarHBondContact NH1-OD2 2.88Å; R58-D81 IonicContact NH2-OD1 2.97Å; R58-D81 PolarHBondContact NH2-OD1 2.71Å; R58-D81 IonicContact NH2-OD2 3.12Å; R58-D81 PolarHBondContact NH2-OD2 2.8Å; R58-D81 VanDerWaalsContact NH2-OD2 3.12Å; M74-D81 HydrophobicContact SD-CB 3.99Å; M74-D81 VanDerWaalsContact SD-CG 3.58Å; L77-D81 HydrophobicContact CD2-CB 4.12Å; Q78-D81 PolarHBondContact N-OD2 2.79Å; Q78-D81 WeakPolarHBondContact O-CB 3.44Å; Q78-D81 PolarHBondContact O-N 3.34Å; A79-D81 PolarHBondContact O-N 2.79Å; D81-A83 PolarHBondContact O-N 3.3Å; D81-Y85 PolarHBondContact O-OH 3.32Å
82	T	89.9	Confident	88.6	Confident	101 Å²	101	73.3 Å²	73.3	62%	0.62	38%	0.382	S	S	*	.			trans	-67.6	105.3	172.2	-55.3	0	0	0	0	110.1	A79 D80	A79-T82 WeakPolarHBondContact O-CB 3.28Å; A79-T82 PolarHBondContact O-N 3.34Å; A79-T82 VanDerWaalsContact O-N 3.1Å; A79-T82 PolarHBondContact O-OG1 3.41Å; D80-T82 PolarHBondContact O-N 2.71Å
83	A	92.7	Very high	88.3	Confident	23 Å²	23	77.1 Å²	77.1	19%	0.19	40%	0.402	C	S	.	.	S	Bend	trans	-157.1	165.5	-176.2	0	0	0	0	0	111	R30 Q31 D81 Y85	R30-A83 HydrophobicContact CB-CB 3.87Å; R30-A83 HydrophobicContact CG-CB 4.28Å; Q31-A83 WeakPolarHBondContact O-CA 3.25Å; Q31-A83 WeakPolarHBondContact O-CB 3.41Å; D81-A83 PolarHBondContact O-N 3.3Å; A83-Y85 HydrophobicContact CB-CE2 4.08Å; A83-Y85 VanDerWaalsContact O-CD2 3.25Å; A83-Y85 WeakPolarHBondContact O-CD2 3.41Å; A83-Y85 WeakPolarHBondContact O-CE2 3.38Å
84	I	93.6	Very high	88	Confident	100 Å²	100	76.3 Å²	76.3	51%	0.513	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	130.5	163.2	-54.9	175.8	0	0	0	107.7	R30 Q31 Y86	R30-I84 CarbonylContact C-O 3.52Å; R30-I84 WeakPolarHBondContact CA-O 3.33Å; Q31-I84 PolarHBondContact N-O 2.84Å; Q31-I84 PolarHBondContact O-N 3.46Å; I84-Y86 HydrophobicContact CB-CE2 3.87Å; I84-Y86 HydrophobicContact CG2-CD1 4.47Å; I84-Y86 HydrophobicContact CG2-CD2 4.34Å; I84-Y86 HydrophobicContact CG2-CE1 3.8Å; I84-Y86 HydrophobicContact CG2-CE2 3.63Å; I84-Y86 WeakPolarHBondContact CG2-OH 3.42Å
85	Y	94.6	Very high	87.7	Confident	40 Å²	40	80.8 Å²	80.8	16%	0.157	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.1	179.7	-69	-99.5	0	0	0	110.2	L10 I12 R30 L40 F72 D81 A83	L10-Y85 HydrophobicContact CD2-CD2 4.3Å; L10-Y85 HydrophobicContact CD2-CE1 4.4Å; L10-Y85 HydrophobicContact CD2-CE2 3.87Å; I12-Y85 VanDerWaalsContact CD1-CB 3.49Å; I12-Y85 HydrophobicContact CD1-CD1 4.03Å; I12-Y85 HydrophobicContact CD1-CD2 4.08Å; I12-Y85 HydrophobicContact CD1-CG 3.6Å; R30-Y85 HydrophobicContact CB-CD1 3.98Å; R30-Y85 HydrophobicContact CB-CE1 4Å; R30-Y85 HydrophobicContact CB-CG 4.42Å; L40-Y85 HydrophobicContact CD1-CD1 3.78Å; L40-Y85 HydrophobicContact CD1-CE1 3.71Å; F72-Y85 AromaticContact CE1-CD1 3.96Å; F72-Y85 HydrophobicContact CE1-CD1 3.96Å; F72-Y85 AromaticContact CE1-CE1 3.86Å; F72-Y85 HydrophobicContact CE1-CE1 3.86Å; F72-Y85 HydrophobicContact CZ-CD1 4.18Å; F72-Y85 AromaticContact CZ-CE1 3.94Å; F72-Y85 HydrophobicContact CZ-CE1 3.94Å; D81-Y85 PolarHBondContact O-OH 3.32Å; A83-Y85 HydrophobicContact CB-CE2 4.08Å; A83-Y85 VanDerWaalsContact O-CD2 3.25Å; A83-Y85 WeakPolarHBondContact O-CD2 3.41Å; A83-Y85 WeakPolarHBondContact O-CE2 3.38Å
86	Y	94.9	Very high	87.5	Confident	90 Å²	90	81.7 Å²	81.7	35%	0.353	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.6	-178.5	-56.9	-84	0	0	0	109.8	W28 V29 Q31 L37 I84	W28-Y86 WeakPolarHBondContact CA-O 3.5Å; V29-Y86 PolarHBondContact N-O 3.07Å; V29-Y86 PolarHBondContact O-N 3.03Å; Q31-Y86 HydrophobicContact CB-CE2 3.88Å; L37-Y86 HydrophobicContact CD2-CD2 4.27Å; L37-Y86 HydrophobicContact CD2-CE2 4.23Å; I84-Y86 HydrophobicContact CB-CE2 3.87Å; I84-Y86 HydrophobicContact CG2-CD1 4.47Å; I84-Y86 HydrophobicContact CG2-CD2 4.34Å; I84-Y86 HydrophobicContact CG2-CE1 3.8Å; I84-Y86 HydrophobicContact CG2-CE2 3.63Å; I84-Y86 WeakPolarHBondContact CG2-OH 3.42Å
87	C	94.8	Very high	87.5	Confident	53 Å²	53	82.1 Å²	82.1	36%	0.358	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	135.1	160.9	60.9	0	0	0	0	109.4	C14 V26 H27 W28	C14-C87 HydrophobicContact CB-CB 3.47Å; C14-C87 VanDerWaalsContact CB-CB 3.47Å; C14-C87 WeakPolarHBondContact CB-SG 3.2Å; C14-C87 WeakPolarHBondContact SG-CB 3.36Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 3.39Å; V26-C87 HydrophobicContact CG1-CB 4.09Å; H27-C87 CarbonylContact O-C 3.54Å; H27-C87 VanDerWaalsContact O-CA 3.31Å; H27-C87 WeakPolarHBondContact O-CA 3.38Å; W28-C87 HydrophobicContact CD2-CB 4.4Å; W28-C87 HydrophobicContact CE3-CB 4.18Å; W28-C87 HydrophobicContact CH2-CB 4.1Å; W28-C87 HydrophobicContact CZ2-CB 4.29Å; W28-C87 HydrophobicContact CZ3-CB 4.03Å
88	A	94.2	Very high	87.5	Confident	45 Å²	45	86.8 Å²	86.8	37%	0.372	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	138.4	-175.5	0	0	0	0	0	111.2	V26 H27	V26-A88 CarbonylContact C-O 3.56Å; V26-A88 WeakPolarHBondContact CA-O 3.41Å; H27-A88 PolarHBondContact N-O 3.33Å; H27-A88 PolarHBondContact O-N 3.31Å
89	R	91.2	Very high	87.5	Confident	99 Å²	99	85.2 Å²	85.2	37%	0.374	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	136.4	171.6	-173.3	-172.2	65.1	-176.8	-4.2	109.6	F19 Y24 K91	F19-R89 HydrophobicContact CD2-CG 4.21Å; F19-R89 HydrophobicContact CE1-CB 4.12Å; F19-R89 HydrophobicContact CE1-CG 4.24Å; F19-R89 HydrophobicContact CE2-CB 4.31Å; F19-R89 HydrophobicContact CE2-CG 3.85Å; F19-R89 HydrophobicContact CZ-CB 3.82Å; F19-R89 HydrophobicContact CZ-CG 3.85Å; Y24-R89 HydrophobicContact CD1-CG 3.85Å; Y24-R89 HydrophobicContact CG-CG 3.97Å; R89-K91 PolarHBondContact O-N 2.59Å
90	K	74.3	Confident	87.8	Confident	117 Å²	117	86.1 Å²	86.1	51%	0.509	43%	0.43	S	S	.	.			trans	-65.8	124	166.5	-166.3	177.6	176.1	-176.5	0	109.2	G25 W44	G25-K90 PolarHBondContact O-N 2.94Å; W44-K90 HydrophobicContact CH2-CD 4.4Å; W44-K90 HydrophobicContact CZ3-CD 3.99Å
91	K	59.8	Low	88	Confident	238 Å²	238	83.1 Å²	83.1	100%	1.035	41%	0.411	S	S	*	.			trans	-70.2	0	170.4	-93.4	-171.7	176.3	179.8	0	110.7	R89	R89-K91 PolarHBondContact O-N 2.59Å

Retrieved 91 of 91 residues in 26.7 ms (Link to these results)

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