X5J5T0_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5T0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 104 aa.

						>X5J5T0_MOUSE|X5J5T0
PGLVKPSQFLSLTCTVTGYSITSDYAWNWIRQFPGNKLEWMGYISYSGSTSYNPSLKSRISITRDTSKDQFFLQLNSVTTEDTATYYCARGKTYVGFAYWGQGT
					

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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	50.2	Low	67.4	Low	122 Å²	122	100.6 Å²	100.6	79%	0.792	59%	0.587	S	S	*	*				0	120.3	0	24	-4.1	0	0	0	112.4	T104	P1-T104 HydrophobicContact CB-CG2 3.45Å; P1-T104 VanDerWaalsContact CB-CG2 3.45Å; P1-T104 HydrophobicContact CG-CG2 3.78Å; P1-T104 WeakPolarHBondContact CG-OXT 3.39Å
2	G	58	Low	69.7	Low	66 Å²	66	93.6 Å²	93.6	68%	0.68	55%	0.545	S	S	*	.			trans	-82.7	148.6	-172.3	0	0	0	0	0	113.1	V4	G2-V4 PolarHBondContact O-N 3.2Å; G2-V4 VanDerWaalsContact O-N 3.11Å
3	L	58.7	Low	71.7	Confident	178 Å²	178	92.1 Å²	92.1	93%	0.932	54%	0.538	S	S	*	.			trans	-57.2	108	173.3	-165.7	89.4	0	0	0	109.9
4	V	59.4	Low	73.3	Confident	53 Å²	53	86.4 Å²	86.4	32%	0.321	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-86.3	132.7	177	-173.3	0	0	0	0	109	G2 Q8 L10	G2-V4 PolarHBondContact O-N 3.2Å; G2-V4 VanDerWaalsContact O-N 3.11Å; V4-Q8 HydrophobicContact CG1-CB 3.82Å; V4-L10 HydrophobicContact CG2-CD1 3.85Å
5	K	58.4	Low	74.8	Confident	151 Å²	151	85.7 Å²	85.7	66%	0.657	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-71.6	143.4	175.7	-73.4	-177.7	-179.9	179.4	0	110	S7 Q8	K5-S7 PolarHBondContact O-N 3.22Å; K5-Q8 PolarHBondContact O-N 3.06Å
6	P	56	Low	75.8	Confident	85 Å²	85	81.6 Å²	81.6	55%	0.552	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	139.3	171.8	-19.6	30.3	0	0	0	109.7
7	S	59.4	Low	76.6	Confident	114 Å²	114	84.1 Å²	84.1	80%	0.797	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	3	-175	-25.8	0	0	0	0	116.9	K5 V78	K5-S7 PolarHBondContact O-N 3.22Å; S7-V78 PolarHBondContact N-O 2.84Å
8	Q	78.1	Confident	77.2	Confident	106 Å²	106	84.2 Å²	84.2	50%	0.495	52%	0.518	S	S	.	.	S	Bend	trans	-100.5	164.7	169.4	-73.7	178	-21.9	0	0	111.2	V4 K5 V78	V4-Q8 HydrophobicContact CG1-CB 3.82Å; K5-Q8 PolarHBondContact O-N 3.06Å; Q8-V78 WeakPolarHBondContact O-CB 3.24Å; Q8-V78 VanDerWaalsContact O-CG2 3.25Å; Q8-V78 WeakPolarHBondContact O-CG2 3.48Å; Q8-V78 PolarHBondContact O-N 3.31Å
9	F	83.1	Confident	77.5	Confident	131 Å²	131	84.5 Å²	84.5	58%	0.575	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-86.2	141.5	169	61.5	-88.4	0	0	0	109.6	Q74 L75	F9-Q74 HydrophobicContact CB-CG 4.5Å; F9-L75 CarbonylContact C-O 3.5Å; F9-L75 VanDerWaalsContact CA-O 3.24Å; F9-L75 WeakPolarHBondContact CA-O 3.49Å
10	L	88.7	Confident	78.1	Confident	29 Å²	29	82 Å²	82	15%	0.152	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.1	169.1	171.3	66.9	0	0	0	107.9	V4 L12 Q74 L75 V78 Y86	V4-L10 HydrophobicContact CG2-CD1 3.85Å; L10-L12 HydrophobicContact CD1-CD2 3.96Å; L10-L12 HydrophobicContact CD1-CG 4.21Å; L10-L12 HydrophobicContact CD2-CD1 4.01Å; L10-L12 HydrophobicContact CD2-CD2 4.44Å; L10-L12 HydrophobicContact CD2-CG 4.15Å; L10-L12 HydrophobicContact CG-CD1 4.38Å; L10-L12 HydrophobicContact CG-CD2 4.27Å; L10-L12 HydrophobicContact CG-CG 3.98Å; L10-Q74 CarbonylContact O-C 3.53Å; L10-Q74 WeakPolarHBondContact O-CA 3.33Å; L10-L75 HydrophobicContact CB-CB 4.37Å; L10-L75 PolarHBondContact N-O 3.34Å; L10-L75 PolarHBondContact O-N 2.81Å; L10-V78 HydrophobicContact CB-CG2 3.72Å; L10-Y86 HydrophobicContact CD2-CD2 4.49Å; L10-Y86 HydrophobicContact CD2-CE1 4.5Å; L10-Y86 HydrophobicContact CD2-CE2 4Å
11	S	91.9	Very high	78.7	Confident	72 Å²	72	78.1 Å²	78.1	50%	0.503	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.1	172.5	-172.6	0	0	0	0	109.4	L73	S11-L73 WeakPolarHBondContact CA-O 3.42Å
12	L	94.3	Very high	80.7	Confident	16 Å²	16	75.6 Å²	75.6	8%	0.084	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.6	179.8	-63.8	173.4	0	0	0	109.8	L10 W29 F72 L73 Y86 T104	L10-L12 HydrophobicContact CD1-CD2 3.96Å; L10-L12 HydrophobicContact CD1-CG 4.21Å; L10-L12 HydrophobicContact CD2-CD1 4.01Å; L10-L12 HydrophobicContact CD2-CD2 4.44Å; L10-L12 HydrophobicContact CD2-CG 4.15Å; L10-L12 HydrophobicContact CG-CD1 4.38Å; L10-L12 HydrophobicContact CG-CD2 4.27Å; L10-L12 HydrophobicContact CG-CG 3.98Å; L12-W29 HydrophobicContact CB-CH2 3.57Å; L12-W29 HydrophobicContact CB-CZ2 4.19Å; L12-W29 HydrophobicContact CB-CZ3 3.91Å; L12-W29 HydrophobicContact CD1-CZ3 4.08Å; L12-F72 CarbonylContact O-C 3.59Å; L12-F72 WeakPolarHBondContact O-CA 3.35Å; L12-L73 HydrophobicContact CB-CB 4.35Å; L12-L73 HydrophobicContact CD1-CD2 4.13Å; L12-L73 PolarHBondContact N-O 2.64Å; L12-L73 PolarHBondContact O-N 2.79Å; L12-Y86 VanDerWaalsContact CD1-CB 3.45Å; L12-Y86 HydrophobicContact CD1-CD1 3.57Å; L12-Y86 HydrophobicContact CD1-CD2 4.03Å; L12-Y86 HydrophobicContact CD1-CE1 4.3Å; L12-Y86 HydrophobicContact CD1-CG 3.4Å; L12-Y86 VanDerWaalsContact CD1-CG 3.4Å; L12-T104 HydrophobicContact CD2-CG2 3.5Å
13	T	95.5	Very high	82.1	Confident	74 Å²	74	73.9 Å²	73.9	45%	0.454	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.3	178.3	-56.3	0	0	0	0	109.1	Q70 F72	T13-Q70 HydrophobicContact CG2-CB 4.42Å; T13-Q70 HydrophobicContact CG2-CG 4.16Å; T13-F72 HydrophobicContact CG2-CD1 3.85Å; T13-F72 HydrophobicContact CG2-CE1 3.47Å; T13-F72 VanDerWaalsContact CG2-CE1 3.47Å; T13-F72 HydrophobicContact CG2-CZ 4.31Å; T13-F72 VanDerWaalsContact OG1-CD1 3.3Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.29Å; T13-F72 WeakPolarHBondContact OG1-CE1 3.29Å
14	C	95	Very high	83.5	Confident	13 Å²	13	69.5 Å²	69.5	9%	0.088	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.9	166.1	-176.9	0	0	0	0	109.3	W29 Q70 F71 C88	C14-W29 HydrophobicContact CB-CH2 3.91Å; C14-W29 HydrophobicContact CB-CZ2 3.88Å; C14-Q70 WeakPolarHBondContact O-CA 3.47Å; C14-F71 HydrophobicContact CB-CD1 4.01Å; C14-F71 HydrophobicContact CB-CD2 4.36Å; C14-F71 HydrophobicContact CB-CE1 3.59Å; C14-F71 HydrophobicContact CB-CE2 3.96Å; C14-F71 HydrophobicContact CB-CG 4.4Å; C14-F71 HydrophobicContact CB-CZ 3.6Å; C14-F71 PolarHBondContact N-O 2.9Å; C14-F71 PolarHBondContact O-N 2.89Å; C14-F71 WeakPolarHBondContact SG-CE1 3.41Å; C14-F71 VanDerWaalsContact SG-CZ 3.5Å; C14-C88 HydrophobicContact CB-CB 3.37Å; C14-C88 WeakPolarHBondContact CB-SG 3.3Å; C14-C88 WeakPolarHBondContact SG-CB 3.26Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 3.13Å
15	T	95	Very high	84.9	Confident	75 Å²	75	69.3 Å²	69.3	46%	0.46	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	122.3	173.9	-55.4	0	0	0	0	109	T17 Q70	T15-T17 HydrophobicContact CG2-CG2 4.39Å; T15-Q70 HydrophobicContact CG2-CG 4.22Å; T15-Q70 PolarHBondContact OG1-NE2 2.85Å; T15-Q70 VanDerWaalsContact OG1-NE2 3.07Å
16	V	91.3	Very high	86.4	Confident	21 Å²	21	62.3 Å²	62.3	13%	0.127	37%	0.374	C	S	.	.			trans	-88.8	129.4	175	-177.7	0	0	0	0	108.7	Y19 I21 W27 D69 F71	V16-Y19 WeakPolarHBondContact CG1-O 3.43Å; V16-I21 HydrophobicContact CB-CG2 3.87Å; V16-I21 HydrophobicContact CG2-CG2 3.61Å; V16-W27 HydrophobicContact CB-CZ3 4.44Å; V16-W27 HydrophobicContact CG1-CH2 3.84Å; V16-W27 HydrophobicContact CG1-CZ3 3.9Å; V16-W27 HydrophobicContact CG2-CE3 3.9Å; V16-W27 HydrophobicContact CG2-CH2 4.17Å; V16-W27 HydrophobicContact CG2-CZ3 3.64Å; V16-D69 HydrophobicContact CB-CB 4.45Å; V16-D69 WeakPolarHBondContact CB-O 2.93Å; V16-D69 PolarHBondContact N-O 2.84Å; V16-F71 HydrophobicContact CG2-CD1 4.09Å; V16-F71 HydrophobicContact CG2-CE1 3.74Å
17	T	89.3	Confident	88.2	Confident	123 Å²	123	58.5 Å²	58.5	76%	0.755	35%	0.349	S	S	*	.			trans	-118.4	142.7	178.3	53.4	0	0	0	0	109.7	T15 Y19	T15-T17 HydrophobicContact CG2-CG2 4.39Å; T17-Y19 PolarHBondContact O-N 3.27Å
18	G	86.6	Confident	89.9	Confident	87 Å²	87	53.3 Å²	53.3	90%	0.897	31%	0.312	S	S	*	.	S	Bend	trans	71.5	8.4	-179.2	0	0	0	0	0	115.3
19	Y	82.9	Confident	90.7	Very high	89 Å²	89	48.6 Å²	48.6	35%	0.349	29%	0.29	S	S	.	.	S	Bend	trans	-155.9	151.5	178.9	-140.4	-107.5	0	0	0	111	V16 T17 S23 Y25 W27 R90	V16-Y19 WeakPolarHBondContact CG1-O 3.43Å; T17-Y19 PolarHBondContact O-N 3.27Å; Y19-S23 WeakPolarHBondContact CE1-OG 3.48Å; Y19-Y25 HydrophobicContact CD1-CD2 4.4Å; Y19-Y25 HydrophobicContact CD1-CE2 4.41Å; Y19-Y25 AromaticContact CE1-CD2 3.53Å; Y19-Y25 HydrophobicContact CE1-CD2 3.53Å; Y19-Y25 AromaticContact CE1-CE2 3.24Å; Y19-Y25 HydrophobicContact CE1-CE2 3.24Å; Y19-Y25 AromaticContact CZ-CE2 3.55Å; Y19-Y25 WeakPolarHBondContact OH-CE2 3.46Å; Y19-Y25 PolarHBondContact OH-OH 2.73Å; Y19-W27 HydrophobicContact CD1-CH2 4.17Å; Y19-R90 VanDerWaalsContact CD2-NH1 3.33Å; Y19-R90 VanDerWaalsContact CE1-NH1 3.29Å
20	S	89.4	Confident	91.3	Very high	35 Å²	35	42.6 Å²	42.6	25%	0.245	26%	0.263	C	S	.	.			trans	-90.6	140.4	173.3	-178.8	0	0	0	0	112.2	T22 S23 D69	S20-T22 PolarHBondContact O-N 3.35Å; S20-T22 VanDerWaalsContact O-N 3.15Å; S20-T22 PolarHBondContact OG-N 3.29Å; S20-T22 PolarHBondContact OG-OG1 2.67Å; S20-S23 VanDerWaalsContact O-CB 3.26Å; S20-S23 WeakPolarHBondContact O-CB 3.24Å; S20-S23 PolarHBondContact O-N 3.15Å; S20-S23 VanDerWaalsContact O-N 3.13Å; S20-S23 PolarHBondContact O-OG 2.7Å; S20-D69 WeakPolarHBondContact CA-OD1 3.43Å; S20-D69 PolarHBondContact OG-OD1 2.86Å
21	I	91.3	Very high	91.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-10.2	174.9	71	172.3	0	0	0	114	V16 W27 R64 D65 T66 D69 Q70	V16-I21 HydrophobicContact CB-CG2 3.87Å; V16-I21 HydrophobicContact CG2-CG2 3.61Å; I21-W27 VanDerWaalsContact CA-CZ2 3.46Å; I21-W27 HydrophobicContact CB-CZ2 4.26Å; I21-W27 HydrophobicContact CG2-CZ2 4.38Å; I21-W27 PolarHBondContact O-NE1 3.08Å; I21-R64 HydrophobicContact CD1-CB 3.84Å; I21-R64 HydrophobicContact CD1-CG 4.41Å; I21-D65 WeakPolarHBondContact CD1-O 3.23Å; I21-T66 HydrophobicContact CD1-CG2 3.97Å; I21-T66 HydrophobicContact CG1-CG2 4.06Å; I21-D69 VanDerWaalsContact CG2-C 3.49Å; I21-D69 HydrophobicContact CG2-CB 4Å; I21-D69 WeakPolarHBondContact CG2-O 3.48Å; I21-D69 PolarHBondContact N-OD1 2.84Å; I21-Q70 VanDerWaalsContact CD1-O 3.28Å; I21-Q70 WeakPolarHBondContact CD1-O 3.3Å
22	T	91.9	Very high	91.8	Very high	69 Å²	69	40.3 Å²	40.3	42%	0.423	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.4	176.8	62.5	0	0	0	0	113.4	S20 T66	S20-T22 PolarHBondContact O-N 3.35Å; S20-T22 VanDerWaalsContact O-N 3.15Å; S20-T22 PolarHBondContact OG-N 3.29Å; S20-T22 PolarHBondContact OG-OG1 2.67Å; T22-T66 HydrophobicContact CG2-CG2 3.51Å
23	S	88.2	Confident	91.7	Very high	31 Å²	31	41.4 Å²	41.4	22%	0.217	25%	0.248	C	C	.	.	S	Bend	trans	-72.8	148.1	174.3	-50.4	0	0	0	0	110.6	Y19 S20 Y25 Y46	Y19-S23 WeakPolarHBondContact CE1-OG 3.48Å; S20-S23 VanDerWaalsContact O-CB 3.26Å; S20-S23 WeakPolarHBondContact O-CB 3.24Å; S20-S23 PolarHBondContact O-N 3.15Å; S20-S23 VanDerWaalsContact O-N 3.13Å; S20-S23 PolarHBondContact O-OG 2.7Å; S23-Y25 PolarHBondContact O-N 3.07Å; S23-Y46 WeakPolarHBondContact O-CB 3.32Å
24	D	87.3	Confident	91.5	Very high	85 Å²	85	43.2 Å²	43.2	46%	0.455	26%	0.261	S	S	.	.	S	Bend	trans	-52.6	65.7	-175	-179.6	43.4	0	0	0	116.1	Y46 K92	D24-Y46 VanDerWaalsContact OD1-CE1 3.26Å; D24-Y46 WeakPolarHBondContact OD1-CE1 3.27Å; D24-K92 WeakPolarHBondContact O-CE 3.41Å; D24-K92 IonicContact OD2-NZ 3.73Å; D24-K92 PolarHBondContact OD2-NZ 3.04Å
25	Y	88.8	Confident	91.3	Very high	49 Å²	49	46.2 Å²	46.2	19%	0.192	29%	0.293	C	S	.	.			trans	-146.1	165.8	-177.5	-65.4	-86.8	0	0	0	110.8	Y19 S23 Y46 R90 K92	Y19-Y25 HydrophobicContact CD1-CD2 4.4Å; Y19-Y25 HydrophobicContact CD1-CE2 4.41Å; Y19-Y25 AromaticContact CE1-CD2 3.53Å; Y19-Y25 HydrophobicContact CE1-CD2 3.53Å; Y19-Y25 AromaticContact CE1-CE2 3.24Å; Y19-Y25 HydrophobicContact CE1-CE2 3.24Å; Y19-Y25 AromaticContact CZ-CE2 3.55Å; Y19-Y25 WeakPolarHBondContact OH-CE2 3.46Å; Y19-Y25 PolarHBondContact OH-OH 2.73Å; S23-Y25 PolarHBondContact O-N 3.07Å; Y25-Y46 WeakPolarHBondContact O-CB 3.17Å; Y25-Y46 PolarHBondContact O-N 2.97Å; Y25-R90 HydrophobicContact CD1-CG 3.72Å; Y25-R90 HydrophobicContact CE1-CG 4.48Å; Y25-R90 HydrophobicContact CG-CG 3.84Å; Y25-K92 HydrophobicContact CD1-CG 3.62Å; Y25-K92 HydrophobicContact CE1-CD 4.31Å; Y25-K92 HydrophobicContact CE1-CG 3.65Å
26	A	91.3	Very high	91	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.033	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	142.8	165.9	0	0	0	0	0	110.5	N28 Y43 G91	A26-N28 PolarHBondContact O-ND2 2.76Å; A26-N28 VanDerWaalsContact O-ND2 3.13Å; A26-Y43 HydrophobicContact CB-CD2 3.93Å; A26-Y43 HydrophobicContact CB-CE2 4.49Å; A26-Y43 HydrophobicContact CB-CG 4.12Å; A26-G91 PolarHBondContact N-O 3.06Å; A26-G91 PolarHBondContact O-N 2.81Å
27	W	93.4	Very high	91	Very high	6 Å²	6	54.4 Å²	54.4	2%	0.023	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	112.9	-179.8	-52.6	102.5	0	0	0	108.4	V16 Y19 I21 Y43 I44 F71 R90	V16-W27 HydrophobicContact CB-CZ3 4.44Å; V16-W27 HydrophobicContact CG1-CH2 3.84Å; V16-W27 HydrophobicContact CG1-CZ3 3.9Å; V16-W27 HydrophobicContact CG2-CE3 3.9Å; V16-W27 HydrophobicContact CG2-CH2 4.17Å; V16-W27 HydrophobicContact CG2-CZ3 3.64Å; Y19-W27 HydrophobicContact CD1-CH2 4.17Å; I21-W27 VanDerWaalsContact CA-CZ2 3.46Å; I21-W27 HydrophobicContact CB-CZ2 4.26Å; I21-W27 HydrophobicContact CG2-CZ2 4.38Å; I21-W27 PolarHBondContact O-NE1 3.08Å; W27-Y43 CarbonylContact O-C 3.47Å; W27-Y43 WeakPolarHBondContact O-CA 3.46Å; W27-Y43 WeakPolarHBondContact O-CB 3.49Å; W27-I44 HydrophobicContact CB-CG2 4.07Å; W27-I44 PolarHBondContact N-O 3.49Å; W27-I44 PolarHBondContact O-N 2.77Å; W27-F71 HydrophobicContact CB-CD1 3.95Å; W27-F71 HydrophobicContact CB-CD2 3.9Å; W27-F71 HydrophobicContact CB-CE1 3.81Å; W27-F71 HydrophobicContact CB-CE2 3.78Å; W27-F71 HydrophobicContact CB-CG 3.97Å; W27-F71 HydrophobicContact CB-CZ 3.68Å; W27-F71 HydrophobicContact CD2-CE1 4.23Å; W27-F71 AromaticContact CE3-CE1 3.9Å; W27-F71 HydrophobicContact CE3-CE1 3.9Å; W27-F71 HydrophobicContact CE3-CZ 4.36Å; W27-F71 HydrophobicContact CG-CD1 4.25Å; W27-F71 HydrophobicContact CG-CE1 4.2Å; W27-F71 HydrophobicContact CG-CZ 4.49Å; W27-R90 HydrophobicContact CE3-CB 3.95Å; W27-R90 HydrophobicContact CE3-CG 4.03Å; W27-R90 HydrophobicContact CH2-CB 4.36Å; W27-R90 HydrophobicContact CH2-CG 3.78Å; W27-R90 HydrophobicContact CZ2-CG 4.45Å; W27-R90 HydrophobicContact CZ3-CB 3.61Å; W27-R90 HydrophobicContact CZ3-CG 3.53Å
28	N	94.6	Very high	91.2	Very high	5 Å²	5	53 Å²	53	3%	0.027	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	147.7	-165.2	-63.7	-97.7	0	0	0	110.2	A26 I30 W40 G42 Y43 C88 A89 F97	A26-N28 PolarHBondContact O-ND2 2.76Å; A26-N28 VanDerWaalsContact O-ND2 3.13Å; N28-I30 HydrophobicContact CB-CD1 4.49Å; N28-W40 PolarHBondContact OD1-NE1 3.33Å; N28-W40 VanDerWaalsContact OD1-NE1 3.16Å; N28-G42 WeakPolarHBondContact CA-O 3.42Å; N28-Y43 VanDerWaalsContact OD1-CB 3.27Å; N28-Y43 WeakPolarHBondContact OD1-CB 3.08Å; N28-C88 CarbonylContact O-C 3.54Å; N28-C88 VanDerWaalsContact O-CA 3.26Å; N28-C88 WeakPolarHBondContact O-CA 3.43Å; N28-A89 HydrophobicContact CB-CB 4.36Å; N28-A89 WeakPolarHBondContact CB-O 3.47Å; N28-A89 PolarHBondContact N-O 3.06Å; N28-A89 PolarHBondContact ND2-O 2.82Å; N28-A89 PolarHBondContact O-N 3.15Å; N28-F97 HydrophobicContact CB-CD1 4.37Å; N28-F97 HydrophobicContact CB-CE1 3.87Å; N28-F97 HydrophobicContact CB-CZ 4.39Å; N28-F97 VanDerWaalsContact ND2-CE1 3.33Å; N28-F97 WeakPolarHBondContact ND2-CE1 3.21Å; N28-F97 VanDerWaalsContact OD1-CE1 3.26Å; N28-F97 WeakPolarHBondContact OD1-CE1 3.43Å
29	W	95.9	Very high	91.6	Very high	7 Å²	7	50.9 Å²	50.9	3%	0.027	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	131	167.3	-76.6	103.1	0	0	0	109.8	L12 C14 M41 G42 F71 L73 C88	L12-W29 HydrophobicContact CB-CH2 3.57Å; L12-W29 HydrophobicContact CB-CZ2 4.19Å; L12-W29 HydrophobicContact CB-CZ3 3.91Å; L12-W29 HydrophobicContact CD1-CZ3 4.08Å; C14-W29 HydrophobicContact CB-CH2 3.91Å; C14-W29 HydrophobicContact CB-CZ2 3.88Å; W29-M41 HydrophobicContact CB-CB 4.22Å; W29-M41 WeakPolarHBondContact O-CB 3.46Å; W29-M41 PolarHBondContact O-N 2.88Å; W29-G42 PolarHBondContact N-O 2.71Å; W29-F71 HydrophobicContact CD2-CE2 4.4Å; W29-F71 AromaticContact CE2-CD2 3.86Å; W29-F71 AromaticContact CE2-CE2 3.77Å; W29-F71 HydrophobicContact CZ2-CD2 4.2Å; W29-F71 HydrophobicContact CZ2-CE2 4.18Å; W29-F71 AromaticContact NE1-CD2 3.3Å; W29-F71 VanDerWaalsContact NE1-CD2 3.3Å; W29-F71 AromaticContact NE1-CE2 3.51Å; W29-L73 HydrophobicContact CB-CD2 4.04Å; W29-L73 HydrophobicContact CD2-CB 3.63Å; W29-L73 HydrophobicContact CD2-CD2 3.94Å; W29-L73 HydrophobicContact CD2-CG 4.39Å; W29-L73 VanDerWaalsContact CE2-CB 3.44Å; W29-L73 HydrophobicContact CE3-CB 4.27Å; W29-L73 HydrophobicContact CE3-CD2 4.07Å; W29-L73 HydrophobicContact CG-CB 3.81Å; W29-L73 HydrophobicContact CG-CD2 3.94Å; W29-L73 HydrophobicContact CG-CG 4.32Å; W29-L73 HydrophobicContact CZ2-CB 3.94Å; W29-C88 HydrophobicContact CE3-CB 4.29Å; W29-C88 HydrophobicContact CH2-CB 4.29Å; W29-C88 HydrophobicContact CZ3-CB 4.14Å
30	I	95.1	Very high	92.2	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.9	-175.3	-57.3	169.3	0	0	0	106.7	N28 L38 E39 Y87 A89 F97 W100	N28-I30 HydrophobicContact CB-CD1 4.49Å; I30-L38 HydrophobicContact CG2-CB 4.36Å; I30-L38 HydrophobicContact CG2-CD2 4.02Å; I30-E39 WeakPolarHBondContact CA-O 3.28Å; I30-Y87 PolarHBondContact N-O 2.75Å; I30-Y87 PolarHBondContact O-N 2.91Å; I30-A89 HydrophobicContact CD1-CB 4Å; I30-F97 HydrophobicContact CD1-CD2 3.88Å; I30-F97 HydrophobicContact CD1-CE2 3.7Å; I30-F97 HydrophobicContact CD1-CG 4.41Å; I30-F97 HydrophobicContact CD1-CZ 4.12Å; I30-W100 HydrophobicContact CB-CH2 4.3Å; I30-W100 HydrophobicContact CB-CZ3 3.9Å; I30-W100 HydrophobicContact CD1-CE3 4.25Å; I30-W100 HydrophobicContact CD1-CH2 3.17Å; I30-W100 HydrophobicContact CD1-CZ2 3.85Å; I30-W100 HydrophobicContact CD1-CZ3 3.39Å; I30-W100 HydrophobicContact CG1-CH2 4.27Å; I30-W100 HydrophobicContact CG1-CZ3 4.2Å; I30-W100 HydrophobicContact CG2-CH2 4Å; I30-W100 HydrophobicContact CG2-CZ3 3.85Å
31	R	94.9	Very high	92.5	Very high	14 Å²	14	48.5 Å²	48.5	5%	0.053	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.9	173.6	66.1	-178.4	178.2	172.3	7.7	110.8	F33 L38 E39 M41 D82 A84 T85 Y86	R31-F33 HydrophobicContact CG-CE2 4.28Å; R31-F33 HydrophobicContact CG-CZ 4.23Å; R31-L38 WeakPolarHBondContact O-CA 3.5Å; R31-E39 HydrophobicContact CG-CB 4.08Å; R31-E39 IonicContact CZ-OE2 2.71Å; R31-E39 PolarHBondContact N-O 2.83Å; R31-E39 IonicContact NE-OE2 3.59Å; R31-E39 PolarHBondContact NE-OE2 3.06Å; R31-E39 IonicContact NH2-OE2 3.63Å; R31-E39 PolarHBondContact NH2-OE2 2.82Å; R31-E39 PolarHBondContact O-N 3.4Å; R31-M41 HydrophobicContact CB-SD 3.94Å; R31-M41 HydrophobicContact CG-CG 4.1Å; R31-M41 HydrophobicContact CG-SD 3.99Å; R31-D82 IonicContact CZ-OD1 3.09Å; R31-D82 IonicContact NH1-OD1 2.7Å; R31-D82 PolarHBondContact NH1-OD1 2.92Å; R31-D82 IonicContact NH2-OD1 2.67Å; R31-A84 HydrophobicContact CB-CB 3.84Å; R31-A84 HydrophobicContact CG-CB 4.32Å; R31-T85 CarbonylContact C-O 3.49Å; R31-T85 WeakPolarHBondContact CA-O 3.24Å; R31-Y86 HydrophobicContact CB-CD1 3.84Å; R31-Y86 HydrophobicContact CB-CE1 3.83Å; R31-Y86 HydrophobicContact CB-CG 4.38Å
32	Q	94.9	Very high	92.7	Very high	40 Å²	40	48.5 Å²	48.5	19%	0.187	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.6	178.5	-169.7	-178.3	28.6	0	0	109.3	N36 K37 L38 A84 T85 Y87	Q32-N36 PolarHBondContact NE2-OD1 3.41Å; Q32-K37 WeakPolarHBondContact CA-O 3.32Å; Q32-L38 HydrophobicContact CB-CD2 3.68Å; Q32-L38 HydrophobicContact CG-CD2 3.75Å; Q32-A84 CarbonylContact O-C 3.59Å; Q32-A84 WeakPolarHBondContact O-CA 3.26Å; Q32-A84 VanDerWaalsContact O-CB 3.29Å; Q32-A84 WeakPolarHBondContact O-CB 3.33Å; Q32-T85 PolarHBondContact N-O 2.9Å; Q32-T85 PolarHBondContact O-N 3.48Å; Q32-Y87 HydrophobicContact CB-CD2 4.16Å; Q32-Y87 HydrophobicContact CB-CE2 3.57Å; Q32-Y87 HydrophobicContact CG-CE2 4.45Å; Q32-Y87 VanDerWaalsContact OE1-CE2 3.27Å; Q32-Y87 PolarHBondContact OE1-OH 3.27Å
33	F	93.7	Very high	92.8	Very high	39 Å²	39	48 Å²	48	17%	0.171	26%	0.257	C	S	.	.			trans	-78.7	159.3	175.7	-64.7	-73.8	0	0	0	111.5	R31 G35 N36 K37 E39 E81 A84	R31-F33 HydrophobicContact CG-CE2 4.28Å; R31-F33 HydrophobicContact CG-CZ 4.23Å; F33-G35 PolarHBondContact O-N 2.9Å; F33-N36 PolarHBondContact O-N 2.63Å; F33-K37 HydrophobicContact CB-CB 4.41Å; F33-K37 HydrophobicContact CD2-CB 4.44Å; F33-K37 HydrophobicContact CD2-CD 4.46Å; F33-K37 HydrophobicContact CD2-CG 4.44Å; F33-K37 PolarHBondContact N-O 2.95Å; F33-E39 HydrophobicContact CE2-CB 3.94Å; F33-E81 VanDerWaalsContact CE1-O 3.26Å; F33-E81 WeakPolarHBondContact CE1-O 3.46Å; F33-A84 HydrophobicContact CD1-CB 3.97Å; F33-A84 HydrophobicContact CE1-CB 4.11Å
34	P	90.6	Very high	93.2	Very high	112 Å²	112	46.8 Å²	46.8	73%	0.727	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.1	131.7	162.7	-25.1	34.6	0	0	0	110.4
35	G	91.5	Very high	93.5	Very high	75 Å²	75	43.2 Å²	43.2	77%	0.773	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.5	14.1	-172	0	0	0	0	0	115.1	F33 K37	F33-G35 PolarHBondContact O-N 2.9Å; G35-K37 VanDerWaalsContact C-N 3.26Å; G35-K37 PolarHBondContact O-N 2.9Å
36	N	87.7	Confident	93.6	Very high	126 Å²	126	45.8 Å²	45.8	67%	0.674	24%	0.24	S	C	*	.	S	Bend	trans	66.1	14.7	172	-59.9	-50.1	0	0	0	116.1	Q32 F33 L38	Q32-N36 PolarHBondContact NE2-OD1 3.41Å; F33-N36 PolarHBondContact O-N 2.63Å; N36-L38 PolarHBondContact O-N 3.05Å
37	K	92.6	Very high	93.6	Very high	143 Å²	143	49.3 Å²	49.3	62%	0.622	26%	0.264	S	S	*	.			trans	-72.3	120.5	172.9	-177.2	-177.8	177.2	-174.2	0	109.7	Q32 F33 G35	Q32-K37 WeakPolarHBondContact CA-O 3.32Å; F33-K37 HydrophobicContact CB-CB 4.41Å; F33-K37 HydrophobicContact CD2-CB 4.44Å; F33-K37 HydrophobicContact CD2-CD 4.46Å; F33-K37 HydrophobicContact CD2-CG 4.44Å; F33-K37 PolarHBondContact N-O 2.95Å; G35-K37 VanDerWaalsContact C-N 3.26Å; G35-K37 PolarHBondContact O-N 2.9Å
38	L	93	Very high	93.6	Very high	92 Å²	92	50.3 Å²	50.3	48%	0.482	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	139.4	175.1	-66.2	169.7	0	0	0	110.8	I30 R31 Q32 N36 W100	I30-L38 HydrophobicContact CG2-CB 4.36Å; I30-L38 HydrophobicContact CG2-CD2 4.02Å; R31-L38 WeakPolarHBondContact O-CA 3.5Å; Q32-L38 HydrophobicContact CB-CD2 3.68Å; Q32-L38 HydrophobicContact CG-CD2 3.75Å; N36-L38 PolarHBondContact O-N 3.05Å; L38-W100 HydrophobicContact CD1-CH2 4.44Å
39	E	94.6	Very high	93.6	Very high	43 Å²	43	52.9 Å²	52.9	20%	0.201	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	119.7	170.7	-176.9	174	-128.3	0	0	109.8	I30 R31 F33	I30-E39 WeakPolarHBondContact CA-O 3.28Å; R31-E39 HydrophobicContact CG-CB 4.08Å; R31-E39 IonicContact CZ-OE2 2.71Å; R31-E39 PolarHBondContact N-O 2.83Å; R31-E39 IonicContact NE-OE2 3.59Å; R31-E39 PolarHBondContact NE-OE2 3.06Å; R31-E39 IonicContact NH2-OE2 3.63Å; R31-E39 PolarHBondContact NH2-OE2 2.82Å; R31-E39 PolarHBondContact O-N 3.4Å; F33-E39 HydrophobicContact CE2-CB 3.94Å
40	W	94.6	Very high	93.6	Very high	75 Å²	75	55.5 Å²	55.5	28%	0.284	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.9	170.5	175.5	81.3	0	0	0	109.3	N28 G42 Y43 N53	N28-W40 PolarHBondContact OD1-NE1 3.33Å; N28-W40 VanDerWaalsContact OD1-NE1 3.16Å; W40-G42 VanDerWaalsContact CZ2-C 3.4Å; W40-G42 PolarHBondContact NE1-O 3.16Å; W40-Y43 HydrophobicContact CH2-CD1 4.47Å; W40-Y43 AromaticContact CZ2-CD1 3.58Å; W40-Y43 HydrophobicContact CZ2-CD1 3.58Å; W40-Y43 HydrophobicContact CZ2-CE1 4.31Å; W40-Y43 HydrophobicContact CZ2-CG 4.36Å; W40-N53 HydrophobicContact CE3-CB 4.04Å; W40-N53 HydrophobicContact CZ3-CB 4.12Å; W40-N53 VanDerWaalsContact CZ3-N 3.35Å; W40-N53 VanDerWaalsContact O-CB 3.32Å; W40-N53 WeakPolarHBondContact O-CB 3.41Å; W40-N53 PolarHBondContact O-ND2 2.88Å
41	M	95.6	Very high	93.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-40.8	-176.9	-58.7	-177.6	70.1	0	0	111.6	W29 R31 N53 L56 I60 L73 Y86	W29-M41 HydrophobicContact CB-CB 4.22Å; W29-M41 WeakPolarHBondContact O-CB 3.46Å; W29-M41 PolarHBondContact O-N 2.88Å; R31-M41 HydrophobicContact CB-SD 3.94Å; R31-M41 HydrophobicContact CG-CG 4.1Å; R31-M41 HydrophobicContact CG-SD 3.99Å; M41-N53 WeakPolarHBondContact O-CB 3.48Å; M41-N53 PolarHBondContact O-N 3.43Å; M41-L56 HydrophobicContact CB-CD1 4.1Å; M41-L56 HydrophobicContact CE-CD1 4.15Å; M41-L56 HydrophobicContact CG-CD1 3.9Å; M41-I60 HydrophobicContact CB-CD1 4.24Å; M41-I60 HydrophobicContact CE-CG2 3.95Å; M41-I60 WeakPolarHBondContact O-CD1 3.17Å; M41-L73 HydrophobicContact CE-CD1 4.35Å; M41-L73 HydrophobicContact CE-CD2 3.64Å; M41-L73 HydrophobicContact SD-CD2 3.67Å; M41-Y86 HydrophobicContact CE-CD1 4.49Å; M41-Y86 HydrophobicContact CE-CE1 3.88Å; M41-Y86 HydrophobicContact SD-CD1 3.73Å; M41-Y86 HydrophobicContact SD-CE1 3.6Å; M41-Y86 VanDerWaalsContact SD-CE1 3.6Å
42	G	95.4	Very high	93.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.1	174.2	-174.7	0	0	0	0	0	112	N28 W29 W40 S51 I62	N28-G42 WeakPolarHBondContact CA-O 3.42Å; W29-G42 PolarHBondContact N-O 2.71Å; W40-G42 VanDerWaalsContact CZ2-C 3.4Å; W40-G42 PolarHBondContact NE1-O 3.16Å; G42-S51 CarbonylContact C-O 3.55Å; G42-S51 WeakPolarHBondContact CA-O 3.48Å; G42-I62 VanDerWaalsContact C-CD1 3.43Å
43	Y	95.3	Very high	93.6	Very high	57 Å²	57	58.4 Å²	58.4	22%	0.224	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	160.3	169.8	75.7	-111.2	0	0	0	112.2	A26 W27 N28 W40 T50 S51	A26-Y43 HydrophobicContact CB-CD2 3.93Å; A26-Y43 HydrophobicContact CB-CE2 4.49Å; A26-Y43 HydrophobicContact CB-CG 4.12Å; W27-Y43 CarbonylContact O-C 3.47Å; W27-Y43 WeakPolarHBondContact O-CA 3.46Å; W27-Y43 WeakPolarHBondContact O-CB 3.49Å; N28-Y43 VanDerWaalsContact OD1-CB 3.27Å; N28-Y43 WeakPolarHBondContact OD1-CB 3.08Å; W40-Y43 HydrophobicContact CH2-CD1 4.47Å; W40-Y43 AromaticContact CZ2-CD1 3.58Å; W40-Y43 HydrophobicContact CZ2-CD1 3.58Å; W40-Y43 HydrophobicContact CZ2-CE1 4.31Å; W40-Y43 HydrophobicContact CZ2-CG 4.36Å; Y43-T50 VanDerWaalsContact O-CA 3.3Å; Y43-T50 WeakPolarHBondContact O-CA 3.49Å; Y43-S51 VanDerWaalsContact CE1-CB 3.44Å; Y43-S51 PolarHBondContact N-O 2.95Å; Y43-S51 PolarHBondContact O-N 2.04Å
44	I	95.4	Very high	93.6	Very high	7 Å²	7	62 Å²	62	4%	0.036	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.9	160.4	-170.4	162.2	0	0	0	109.7	W27 S49 T50 I62 R64 F71	W27-I44 HydrophobicContact CB-CG2 4.07Å; W27-I44 PolarHBondContact N-O 3.49Å; W27-I44 PolarHBondContact O-N 2.77Å; I44-S49 CarbonylContact C-O 3.56Å; I44-S49 WeakPolarHBondContact CA-O 3.44Å; I44-T50 HydrophobicContact CB-CG2 4.02Å; I44-T50 HydrophobicContact CD1-CG2 3.95Å; I44-T50 HydrophobicContact CG1-CG2 3.85Å; I44-I62 HydrophobicContact CB-CG2 3.73Å; I44-I62 HydrophobicContact CG2-CG2 3.69Å; I44-R64 HydrophobicContact CD1-CB 4.07Å; I44-R64 HydrophobicContact CD1-CG 3.79Å; I44-F71 HydrophobicContact CG2-CB 4.22Å
45	S	93.6	Very high	93.7	Very high	9 Å²	9	61 Å²	61	6%	0.063	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	168.4	179.9	73.7	0	0	0	0	111.6	S47 G48 S49 R64	S45-S47 PolarHBondContact O-N 2.91Å; S45-S47 PolarHBondContact OG-N 2.73Å; S45-S47 PolarHBondContact OG-OG 2.8Å; S45-G48 WeakPolarHBondContact O-CA 3.25Å; S45-G48 PolarHBondContact O-N 2.85Å; S45-G48 PolarHBondContact OG-N 3.45Å; S45-S49 WeakPolarHBondContact CB-OG 3.26Å; S45-S49 PolarHBondContact N-O 3.3Å; S45-S49 PolarHBondContact OG-N 3.13Å; S45-S49 VanDerWaalsContact OG-N 3.09Å; S45-S49 PolarHBondContact OG-O 3.11Å; S45-S49 PolarHBondContact OG-OG 3.06Å; S45-R64 PolarHBondContact O-NH1 2.92Å
46	Y	91.4	Very high	93.7	Very high	104 Å²	104	57.7 Å²	57.7	41%	0.408	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.1	171.5	78.6	-87.8	0	0	0	113.9	S23 D24 Y25 G48 R64	S23-Y46 WeakPolarHBondContact O-CB 3.32Å; D24-Y46 VanDerWaalsContact OD1-CE1 3.26Å; D24-Y46 WeakPolarHBondContact OD1-CE1 3.27Å; Y25-Y46 WeakPolarHBondContact O-CB 3.17Å; Y25-Y46 PolarHBondContact O-N 2.97Å; Y46-G48 VanDerWaalsContact C-N 3.31Å; Y46-R64 VanDerWaalsContact O-CZ 3.32Å; Y46-R64 PolarHBondContact O-NH1 3.48Å; Y46-R64 PolarHBondContact O-NH2 3.1Å
47	S	92.6	Very high	94	Very high	77 Å²	77	58.2 Å²	58.2	54%	0.538	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-7.4	173.1	65.3	0	0	0	0	112.9	S45	S45-S47 PolarHBondContact O-N 2.91Å; S45-S47 PolarHBondContact OG-N 2.73Å; S45-S47 PolarHBondContact OG-OG 2.8Å
48	G	93.1	Very high	94	Very high	28 Å²	28	56.7 Å²	56.7	29%	0.289	32%	0.321	S	S	.	.			trans	90.1	1.8	-177.9	0	0	0	0	0	113.8	S45 Y46	S45-G48 WeakPolarHBondContact O-CA 3.25Å; S45-G48 PolarHBondContact O-N 2.85Å; S45-G48 PolarHBondContact OG-N 3.45Å; Y46-G48 VanDerWaalsContact C-N 3.31Å
49	S	93.8	Very high	94.1	Very high	59 Å²	59	54.8 Å²	54.8	41%	0.413	31%	0.307	S	S	.	.			trans	-67.2	137.6	173.1	66.5	0	0	0	0	110.8	I44 S45	I44-S49 CarbonylContact C-O 3.56Å; I44-S49 WeakPolarHBondContact CA-O 3.44Å; S45-S49 WeakPolarHBondContact CB-OG 3.26Å; S45-S49 PolarHBondContact N-O 3.3Å; S45-S49 PolarHBondContact OG-N 3.13Å; S45-S49 VanDerWaalsContact OG-N 3.09Å; S45-S49 PolarHBondContact OG-O 3.11Å; S45-S49 PolarHBondContact OG-OG 3.06Å
50	T	95.4	Very high	94.1	Very high	61 Å²	61	53.2 Å²	53.2	37%	0.374	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.7	-179.2	50.9	0	0	0	0	111.3	Y43 I44 Y52	Y43-T50 VanDerWaalsContact O-CA 3.3Å; Y43-T50 WeakPolarHBondContact O-CA 3.49Å; I44-T50 HydrophobicContact CB-CG2 4.02Å; I44-T50 HydrophobicContact CD1-CG2 3.95Å; I44-T50 HydrophobicContact CG1-CG2 3.85Å; T50-Y52 PolarHBondContact OG1-OH 2.74Å
51	S	95	Very high	94.2	Very high	44 Å²	44	51.7 Å²	51.7	31%	0.308	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	146.3	168.1	-172.2	0	0	0	0	108.8	G42 Y43	G42-S51 CarbonylContact C-O 3.55Å; G42-S51 WeakPolarHBondContact CA-O 3.48Å; Y43-S51 VanDerWaalsContact CE1-CB 3.44Å; Y43-S51 PolarHBondContact N-O 2.95Å; Y43-S51 PolarHBondContact O-N 2.04Å
52	Y	95.9	Very high	94.2	Very high	51 Å²	51	51.9 Å²	51.9	20%	0.2	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149	-172.3	-58	-74.7	0	0	0	110.2	T50 P54 K57 I60 I62	T50-Y52 PolarHBondContact OG1-OH 2.74Å; Y52-P54 WeakPolarHBondContact O-CD 3.27Å; Y52-K57 HydrophobicContact CD2-CG 4.18Å; Y52-K57 HydrophobicContact CG-CG 4.33Å; Y52-I60 HydrophobicContact CD1-CD1 3.57Å; Y52-I60 HydrophobicContact CD1-CG1 3.59Å; Y52-I60 HydrophobicContact CE1-CD1 4.39Å; Y52-I60 HydrophobicContact CE1-CG1 4.1Å; Y52-I60 HydrophobicContact CG-CD1 4.36Å; Y52-I60 HydrophobicContact CG-CG1 4.4Å; Y52-I62 HydrophobicContact CD1-CD1 4.15Å; Y52-I62 HydrophobicContact CE1-CB 4.2Å; Y52-I62 HydrophobicContact CE1-CD1 3.97Å; Y52-I62 HydrophobicContact CE1-CG1 3.92Å
53	N	94.9	Very high	94.2	Very high	25 Å²	25	55.3 Å²	55.3	13%	0.134	32%	0.322	C	S	.	.			trans	-62.3	124.8	164.7	-176	-32.6	0	0	0	108.7	W40 M41 S55 L56 K57	W40-N53 HydrophobicContact CE3-CB 4.04Å; W40-N53 HydrophobicContact CZ3-CB 4.12Å; W40-N53 VanDerWaalsContact CZ3-N 3.35Å; W40-N53 VanDerWaalsContact O-CB 3.32Å; W40-N53 WeakPolarHBondContact O-CB 3.41Å; W40-N53 PolarHBondContact O-ND2 2.88Å; M41-N53 WeakPolarHBondContact O-CB 3.48Å; M41-N53 PolarHBondContact O-N 3.43Å; N53-S55 PolarHBondContact O-N 3.3Å; N53-S55 VanDerWaalsContact O-N 3.1Å; N53-S55 WeakPolarHBondContact OD1-CB 3.44Å; N53-S55 PolarHBondContact OD1-N 3.36Å; N53-L56 HydrophobicContact CB-CB 4.4Å; N53-L56 HydrophobicContact CB-CD1 4.35Å; N53-L56 PolarHBondContact O-N 2.77Å; N53-K57 PolarHBondContact O-N 2.89Å
54	P	94.4	Very high	94.2	Very high	113 Å²	113	56 Å²	56	73%	0.734	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-37.2	-178.5	-29.1	35.7	0	0	0	113.7	Y52 L56	Y52-P54 WeakPolarHBondContact O-CD 3.27Å; P54-L56 PolarHBondContact O-N 3.44Å
55	S	91.6	Very high	94.2	Very high	93 Å²	93	57.4 Å²	57.4	65%	0.65	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.6	-179.9	-54.9	0	0	0	0	113.8	N53	N53-S55 PolarHBondContact O-N 3.3Å; N53-S55 VanDerWaalsContact O-N 3.1Å; N53-S55 WeakPolarHBondContact OD1-CB 3.44Å; N53-S55 PolarHBondContact OD1-N 3.36Å
56	L	92.8	Very high	94.3	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.021	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-12.7	-175.5	-63.1	174.4	0	0	0	113.2	M41 N53 P54 S58 R59 I60	M41-L56 HydrophobicContact CB-CD1 4.1Å; M41-L56 HydrophobicContact CE-CD1 4.15Å; M41-L56 HydrophobicContact CG-CD1 3.9Å; N53-L56 HydrophobicContact CB-CB 4.4Å; N53-L56 HydrophobicContact CB-CD1 4.35Å; N53-L56 PolarHBondContact O-N 2.77Å; P54-L56 PolarHBondContact O-N 3.44Å; L56-S58 PolarHBondContact O-N 3.29Å; L56-R59 PolarHBondContact O-N 2.84Å; L56-I60 HydrophobicContact CB-CD1 3.83Å; L56-I60 HydrophobicContact CB-CG1 4.24Å; L56-I60 HydrophobicContact CB-CG2 4.11Å; L56-I60 WeakPolarHBondContact O-CG1 3.44Å; L56-I60 PolarHBondContact O-N 3.13Å
57	K	92.7	Very high	94.4	Very high	138 Å²	138	60.1 Å²	60.1	60%	0.6	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-31.4	-171.1	-174.2	176	-179.4	-178.3	0	114.7	Y52 N53 R59	Y52-K57 HydrophobicContact CD2-CG 4.18Å; Y52-K57 HydrophobicContact CG-CG 4.33Å; N53-K57 PolarHBondContact O-N 2.89Å; K57-R59 VanDerWaalsContact C-N 3.35Å
58	S	93.8	Very high	94.5	Very high	111 Å²	111	62.1 Å²	62.1	78%	0.776	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-18.4	178.2	58.2	0	0	0	0	113.9	L56	L56-S58 PolarHBondContact O-N 3.29Å
59	R	93.9	Very high	94.5	Very high	52 Å²	52	62.9 Å²	62.9	20%	0.196	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-22.6	-173.7	-58.5	-162.5	-62.2	136.9	0.2	113.4	L56 K57 L75 N76 S77 D82	L56-R59 PolarHBondContact O-N 2.84Å; K57-R59 VanDerWaalsContact C-N 3.35Å; R59-L75 HydrophobicContact CB-CD1 3.94Å; R59-N76 WeakPolarHBondContact O-CB 3.38Å; R59-N76 PolarHBondContact O-N 2.81Å; R59-S77 PolarHBondContact NH1-O 3.04Å; R59-S77 VanDerWaalsContact NH1-O 3.13Å; R59-D82 IonicContact CZ-OD1 3.45Å; R59-D82 IonicContact CZ-OD2 2.73Å; R59-D82 IonicContact NH1-OD1 2.77Å; R59-D82 PolarHBondContact NH1-OD1 2.96Å; R59-D82 IonicContact NH1-OD2 2.8Å; R59-D82 PolarHBondContact NH1-OD2 3.07Å; R59-D82 IonicContact NH2-OD1 2.84Å; R59-D82 PolarHBondContact NH2-OD1 3.29Å; R59-D82 IonicContact NH2-OD2 3.6Å
60	I	95.3	Very high	94.7	Very high	10 Å²	10	62 Å²	62	5%	0.051	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	147	-174.8	68.7	179.5	0	0	0	113.3	M41 Y52 L56 L73 Q74 L75	M41-I60 HydrophobicContact CB-CD1 4.24Å; M41-I60 HydrophobicContact CE-CG2 3.95Å; M41-I60 WeakPolarHBondContact O-CD1 3.17Å; Y52-I60 HydrophobicContact CD1-CD1 3.57Å; Y52-I60 HydrophobicContact CD1-CG1 3.59Å; Y52-I60 HydrophobicContact CE1-CD1 4.39Å; Y52-I60 HydrophobicContact CE1-CG1 4.1Å; Y52-I60 HydrophobicContact CG-CD1 4.36Å; Y52-I60 HydrophobicContact CG-CG1 4.4Å; L56-I60 HydrophobicContact CB-CD1 3.83Å; L56-I60 HydrophobicContact CB-CG1 4.24Å; L56-I60 HydrophobicContact CB-CG2 4.11Å; L56-I60 WeakPolarHBondContact O-CG1 3.44Å; L56-I60 PolarHBondContact O-N 3.13Å; I60-L73 HydrophobicContact CB-CD1 3.96Å; I60-L73 HydrophobicContact CG2-CD1 4.19Å; I60-Q74 CarbonylContact C-O 3.43Å; I60-Q74 VanDerWaalsContact CA-O 3.24Å; I60-Q74 WeakPolarHBondContact CA-O 3.19Å; I60-L75 HydrophobicContact CG2-CB 4.42Å; I60-L75 HydrophobicContact CG2-CD1 3.49Å; I60-L75 VanDerWaalsContact CG2-CD1 3.49Å
61	S	95.8	Very high	94.7	Very high	42 Å²	42	59.2 Å²	59.2	29%	0.294	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132.1	169.2	-179.9	0	0	0	0	109.1	Q74	S61-Q74 PolarHBondContact N-O 2.92Å; S61-Q74 PolarHBondContact O-N 2.86Å
62	I	96.7	Very high	94.7	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.026	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.6	177.8	-59.7	169.1	0	0	0	108.5	G42 I44 Y52 F72 L73	G42-I62 VanDerWaalsContact C-CD1 3.43Å; I44-I62 HydrophobicContact CB-CG2 3.73Å; I44-I62 HydrophobicContact CG2-CG2 3.69Å; Y52-I62 HydrophobicContact CD1-CD1 4.15Å; Y52-I62 HydrophobicContact CE1-CB 4.2Å; Y52-I62 HydrophobicContact CE1-CD1 3.97Å; Y52-I62 HydrophobicContact CE1-CG1 3.92Å; I62-F72 VanDerWaalsContact CA-O 3.3Å; I62-F72 WeakPolarHBondContact CA-O 3.4Å; I62-F72 WeakPolarHBondContact CG2-O 3.06Å; I62-L73 HydrophobicContact CG1-CD1 3.92Å
63	T	96.1	Very high	94.7	Very high	71 Å²	71	56.9 Å²	56.9	44%	0.436	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	171.3	-178.8	63.9	0	0	0	0	111.1	F71 F72	T63-F71 CarbonylContact O-C 3.51Å; T63-F71 VanDerWaalsContact O-CA 3.29Å; T63-F71 WeakPolarHBondContact O-CA 3.36Å; T63-F71 WeakPolarHBondContact O-CB 3.17Å; T63-F72 PolarHBondContact N-O 2.89Å; T63-F72 VanDerWaalsContact N-O 3.1Å; T63-F72 PolarHBondContact O-N 3.33Å
64	R	95.3	Very high	94.8	Very high	72 Å²	72	59.3 Å²	59.3	27%	0.272	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	150.4	179.5	68.6	180	-174.5	168.1	2.8	112.9	I21 I44 S45 Y46 T66 Q70 F71	I21-R64 HydrophobicContact CD1-CB 3.84Å; I21-R64 HydrophobicContact CD1-CG 4.41Å; I44-R64 HydrophobicContact CD1-CB 4.07Å; I44-R64 HydrophobicContact CD1-CG 3.79Å; S45-R64 PolarHBondContact O-NH1 2.92Å; Y46-R64 VanDerWaalsContact O-CZ 3.32Å; Y46-R64 PolarHBondContact O-NH1 3.48Å; Y46-R64 PolarHBondContact O-NH2 3.1Å; R64-T66 HydrophobicContact CG-CG2 4.44Å; R64-Q70 CarbonylContact C-O 3.52Å; R64-Q70 WeakPolarHBondContact CA-O 2.97Å; R64-F71 HydrophobicContact CB-CB 4.18Å
65	D	95.2	Very high	94.7	Very high	37 Å²	37	54 Å²	54	20%	0.198	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	101.6	169.2	-176.7	-11.8	0	0	0	108.3	I21 S67 K68 D69 Q70 F72	I21-D65 WeakPolarHBondContact CD1-O 3.23Å; D65-S67 PolarHBondContact O-N 3.06Å; D65-S67 WeakPolarHBondContact OD1-CB 3.01Å; D65-S67 PolarHBondContact OD1-N 2.83Å; D65-S67 PolarHBondContact OD1-OG 2.86Å; D65-K68 PolarHBondContact O-N 3.02Å; D65-K68 WeakPolarHBondContact OD2-CD 3.43Å; D65-K68 WeakPolarHBondContact OD2-CE 3.37Å; D65-K68 IonicContact OD2-NZ 3.9Å; D65-K68 PolarHBondContact OD2-NZ 2.89Å; D65-D69 PolarHBondContact O-N 3.03Å; D65-D69 VanDerWaalsContact O-N 3.16Å; D65-Q70 PolarHBondContact N-O 2.84Å; D65-Q70 PolarHBondContact O-N 2.91Å; D65-F72 HydrophobicContact CB-CE2 3.83Å; D65-F72 HydrophobicContact CB-CZ 4.3Å
66	T	94.3	Very high	94.8	Very high	71 Å²	71	52.2 Å²	52.2	44%	0.436	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-18.1	-178	57	0	0	0	0	112.8	I21 T22 R64 K68	I21-T66 HydrophobicContact CD1-CG2 3.97Å; I21-T66 HydrophobicContact CG1-CG2 4.06Å; T22-T66 HydrophobicContact CG2-CG2 3.51Å; R64-T66 HydrophobicContact CG-CG2 4.44Å; T66-K68 VanDerWaalsContact C-N 3.27Å
67	S	93.8	Very high	94.6	Very high	98 Å²	98	56 Å²	56	69%	0.685	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-20.9	176.5	73.3	0	0	0	0	112.5	D65	D65-S67 PolarHBondContact O-N 3.06Å; D65-S67 WeakPolarHBondContact OD1-CB 3.01Å; D65-S67 PolarHBondContact OD1-N 2.83Å; D65-S67 PolarHBondContact OD1-OG 2.86Å
68	K	94.3	Very high	94.5	Very high	120 Å²	120	50.2 Å²	50.2	52%	0.522	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	1.7	-178.4	-60.3	-173	-168.9	114.5	0	113.7	D65 T66 Q70	D65-K68 PolarHBondContact O-N 3.02Å; D65-K68 WeakPolarHBondContact OD2-CD 3.43Å; D65-K68 WeakPolarHBondContact OD2-CE 3.37Å; D65-K68 IonicContact OD2-NZ 3.9Å; D65-K68 PolarHBondContact OD2-NZ 2.89Å; T66-K68 VanDerWaalsContact C-N 3.27Å; K68-Q70 HydrophobicContact CB-CB 4.31Å; K68-Q70 HydrophobicContact CB-CG 4.08Å; K68-Q70 PolarHBondContact O-N 3.26Å
69	D	94.9	Very high	94.3	Very high	44 Å²	44	47.8 Å²	47.8	24%	0.235	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	44.9	-170.6	-72	-51.4	0	0	0	112.6	V16 S20 I21 D65	V16-D69 HydrophobicContact CB-CB 4.45Å; V16-D69 WeakPolarHBondContact CB-O 2.93Å; V16-D69 PolarHBondContact N-O 2.84Å; S20-D69 WeakPolarHBondContact CA-OD1 3.43Å; S20-D69 PolarHBondContact OG-OD1 2.86Å; I21-D69 VanDerWaalsContact CG2-C 3.49Å; I21-D69 HydrophobicContact CG2-CB 4Å; I21-D69 WeakPolarHBondContact CG2-O 3.48Å; I21-D69 PolarHBondContact N-OD1 2.84Å; D65-D69 PolarHBondContact O-N 3.03Å; D65-D69 VanDerWaalsContact O-N 3.16Å
70	Q	95.9	Very high	93.9	Very high	41 Å²	41	50.6 Å²	50.6	19%	0.192	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	146.5	-179.3	-77.3	174.6	-11.9	0	0	112	T13 C14 T15 I21 R64 D65 K68 F72	T13-Q70 HydrophobicContact CG2-CB 4.42Å; T13-Q70 HydrophobicContact CG2-CG 4.16Å; C14-Q70 WeakPolarHBondContact O-CA 3.47Å; T15-Q70 HydrophobicContact CG2-CG 4.22Å; T15-Q70 PolarHBondContact OG1-NE2 2.85Å; T15-Q70 VanDerWaalsContact OG1-NE2 3.07Å; I21-Q70 VanDerWaalsContact CD1-O 3.28Å; I21-Q70 WeakPolarHBondContact CD1-O 3.3Å; R64-Q70 CarbonylContact C-O 3.52Å; R64-Q70 WeakPolarHBondContact CA-O 2.97Å; D65-Q70 PolarHBondContact N-O 2.84Å; D65-Q70 PolarHBondContact O-N 2.91Å; K68-Q70 HydrophobicContact CB-CB 4.31Å; K68-Q70 HydrophobicContact CB-CG 4.08Å; K68-Q70 PolarHBondContact O-N 3.26Å; Q70-F72 HydrophobicContact CB-CE1 4.38Å; Q70-F72 HydrophobicContact CB-CE2 3.98Å; Q70-F72 HydrophobicContact CB-CZ 3.67Å
71	F	95.4	Very high	93.6	Very high	1 Å²	1	57.3 Å²	57.3	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.3	166.4	65.8	-79.1	0	0	0	110.9	C14 V16 W27 W29 I44 T63 R64 C88	C14-F71 HydrophobicContact CB-CD1 4.01Å; C14-F71 HydrophobicContact CB-CD2 4.36Å; C14-F71 HydrophobicContact CB-CE1 3.59Å; C14-F71 HydrophobicContact CB-CE2 3.96Å; C14-F71 HydrophobicContact CB-CG 4.4Å; C14-F71 HydrophobicContact CB-CZ 3.6Å; C14-F71 PolarHBondContact N-O 2.9Å; C14-F71 PolarHBondContact O-N 2.89Å; C14-F71 WeakPolarHBondContact SG-CE1 3.41Å; C14-F71 VanDerWaalsContact SG-CZ 3.5Å; V16-F71 HydrophobicContact CG2-CD1 4.09Å; V16-F71 HydrophobicContact CG2-CE1 3.74Å; W27-F71 HydrophobicContact CB-CD1 3.95Å; W27-F71 HydrophobicContact CB-CD2 3.9Å; W27-F71 HydrophobicContact CB-CE1 3.81Å; W27-F71 HydrophobicContact CB-CE2 3.78Å; W27-F71 HydrophobicContact CB-CG 3.97Å; W27-F71 HydrophobicContact CB-CZ 3.68Å; W27-F71 HydrophobicContact CD2-CE1 4.23Å; W27-F71 AromaticContact CE3-CE1 3.9Å; W27-F71 HydrophobicContact CE3-CE1 3.9Å; W27-F71 HydrophobicContact CE3-CZ 4.36Å; W27-F71 HydrophobicContact CG-CD1 4.25Å; W27-F71 HydrophobicContact CG-CE1 4.2Å; W27-F71 HydrophobicContact CG-CZ 4.49Å; W29-F71 HydrophobicContact CD2-CE2 4.4Å; W29-F71 AromaticContact CE2-CD2 3.86Å; W29-F71 AromaticContact CE2-CE2 3.77Å; W29-F71 HydrophobicContact CZ2-CD2 4.2Å; W29-F71 HydrophobicContact CZ2-CE2 4.18Å; W29-F71 AromaticContact NE1-CD2 3.3Å; W29-F71 VanDerWaalsContact NE1-CD2 3.3Å; W29-F71 AromaticContact NE1-CE2 3.51Å; I44-F71 HydrophobicContact CG2-CB 4.22Å; T63-F71 CarbonylContact O-C 3.51Å; T63-F71 VanDerWaalsContact O-CA 3.29Å; T63-F71 WeakPolarHBondContact O-CA 3.36Å; T63-F71 WeakPolarHBondContact O-CB 3.17Å; R64-F71 HydrophobicContact CB-CB 4.18Å; F71-C88 HydrophobicContact CE2-CB 3.9Å; F71-C88 HydrophobicContact CZ-CB 3.54Å
72	F	96.2	Very high	93.3	Very high	45 Å²	45	55.6 Å²	55.6	20%	0.197	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.1	-165.2	-50.2	-90.9	0	0	0	110.4	L12 T13 I62 T63 D65 Q70	L12-F72 CarbonylContact O-C 3.59Å; L12-F72 WeakPolarHBondContact O-CA 3.35Å; T13-F72 HydrophobicContact CG2-CD1 3.85Å; T13-F72 HydrophobicContact CG2-CE1 3.47Å; T13-F72 VanDerWaalsContact CG2-CE1 3.47Å; T13-F72 HydrophobicContact CG2-CZ 4.31Å; T13-F72 VanDerWaalsContact OG1-CD1 3.3Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.29Å; T13-F72 WeakPolarHBondContact OG1-CE1 3.29Å; I62-F72 VanDerWaalsContact CA-O 3.3Å; I62-F72 WeakPolarHBondContact CA-O 3.4Å; I62-F72 WeakPolarHBondContact CG2-O 3.06Å; T63-F72 PolarHBondContact N-O 2.89Å; T63-F72 VanDerWaalsContact N-O 3.1Å; T63-F72 PolarHBondContact O-N 3.33Å; D65-F72 HydrophobicContact CB-CE2 3.83Å; D65-F72 HydrophobicContact CB-CZ 4.3Å; Q70-F72 HydrophobicContact CB-CE1 4.38Å; Q70-F72 HydrophobicContact CB-CE2 3.98Å; Q70-F72 HydrophobicContact CB-CZ 3.67Å
73	L	96.6	Very high	93	Very high	1 Å²	1	60 Å²	60	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.5	167.6	170.5	68.6	0	0	0	108	S11 L12 W29 M41 I60 I62 Y86	S11-L73 WeakPolarHBondContact CA-O 3.42Å; L12-L73 HydrophobicContact CB-CB 4.35Å; L12-L73 HydrophobicContact CD1-CD2 4.13Å; L12-L73 PolarHBondContact N-O 2.64Å; L12-L73 PolarHBondContact O-N 2.79Å; W29-L73 HydrophobicContact CB-CD2 4.04Å; W29-L73 HydrophobicContact CD2-CB 3.63Å; W29-L73 HydrophobicContact CD2-CD2 3.94Å; W29-L73 HydrophobicContact CD2-CG 4.39Å; W29-L73 VanDerWaalsContact CE2-CB 3.44Å; W29-L73 HydrophobicContact CE3-CB 4.27Å; W29-L73 HydrophobicContact CE3-CD2 4.07Å; W29-L73 HydrophobicContact CG-CB 3.81Å; W29-L73 HydrophobicContact CG-CD2 3.94Å; W29-L73 HydrophobicContact CG-CG 4.32Å; W29-L73 HydrophobicContact CZ2-CB 3.94Å; M41-L73 HydrophobicContact CE-CD1 4.35Å; M41-L73 HydrophobicContact CE-CD2 3.64Å; M41-L73 HydrophobicContact SD-CD2 3.67Å; I60-L73 HydrophobicContact CB-CD1 3.96Å; I60-L73 HydrophobicContact CG2-CD1 4.19Å; I62-L73 HydrophobicContact CG1-CD1 3.92Å; L73-Y86 HydrophobicContact CD2-CD1 4.18Å; L73-Y86 HydrophobicContact CD2-CE1 4.46Å
74	Q	95.1	Very high	92.8	Very high	76 Å²	76	57.5 Å²	57.5	36%	0.355	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124.5	166.1	-178.1	176.4	-11.1	0	0	108.6	F9 L10 I60 S61 N76	F9-Q74 HydrophobicContact CB-CG 4.5Å; L10-Q74 CarbonylContact O-C 3.53Å; L10-Q74 WeakPolarHBondContact O-CA 3.33Å; I60-Q74 CarbonylContact C-O 3.43Å; I60-Q74 VanDerWaalsContact CA-O 3.24Å; I60-Q74 WeakPolarHBondContact CA-O 3.19Å; S61-Q74 PolarHBondContact N-O 2.92Å; S61-Q74 PolarHBondContact O-N 2.86Å; Q74-N76 PolarHBondContact NE2-OD1 2.84Å
75	L	94.1	Very high	92.8	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.5	172.8	173	66	0	0	0	108.7	F9 L10 R59 I60 V78 D82	F9-L75 CarbonylContact C-O 3.5Å; F9-L75 VanDerWaalsContact CA-O 3.24Å; F9-L75 WeakPolarHBondContact CA-O 3.49Å; L10-L75 HydrophobicContact CB-CB 4.37Å; L10-L75 PolarHBondContact N-O 3.34Å; L10-L75 PolarHBondContact O-N 2.81Å; R59-L75 HydrophobicContact CB-CD1 3.94Å; I60-L75 HydrophobicContact CG2-CB 4.42Å; I60-L75 HydrophobicContact CG2-CD1 3.49Å; I60-L75 VanDerWaalsContact CG2-CD1 3.49Å; L75-V78 HydrophobicContact CD2-CG2 4.17Å; L75-V78 HydrophobicContact CG-CG2 4.08Å; L75-V78 WeakPolarHBondContact O-CG2 3.1Å; L75-D82 HydrophobicContact CD2-CB 3.91Å
76	N	92.5	Very high	92.8	Very high	57 Å²	57	55.4 Å²	55.4	31%	0.305	31%	0.311	S	S	.	.			trans	-92.9	155.2	179.3	-61.7	-41.3	0	0	0	111.1	R59 Q74 V78	R59-N76 WeakPolarHBondContact O-CB 3.38Å; R59-N76 PolarHBondContact O-N 2.81Å; Q74-N76 PolarHBondContact NE2-OD1 2.84Å; N76-V78 PolarHBondContact O-N 3.1Å
77	S	89.2	Confident	92.8	Very high	83 Å²	83	54.3 Å²	54.3	58%	0.58	30%	0.299	S	S	*	.	S	Bend	trans	52.8	55.3	178.5	-54.5	0	0	0	0	111.8	R59 T79	R59-S77 PolarHBondContact NH1-O 3.04Å; R59-S77 VanDerWaalsContact NH1-O 3.13Å; S77-T79 PolarHBondContact O-N 2.8Å
78	V	89.8	Confident	92.8	Very high	17 Å²	17	50.5 Å²	50.5	10%	0.103	27%	0.272	C	S	.	.			trans	-64.8	128.3	-178.7	179.9	0	0	0	0	109.6	S7 Q8 L10 L75 N76 D82	S7-V78 PolarHBondContact N-O 2.84Å; Q8-V78 WeakPolarHBondContact O-CB 3.24Å; Q8-V78 VanDerWaalsContact O-CG2 3.25Å; Q8-V78 WeakPolarHBondContact O-CG2 3.48Å; Q8-V78 PolarHBondContact O-N 3.31Å; L10-V78 HydrophobicContact CB-CG2 3.72Å; L75-V78 HydrophobicContact CD2-CG2 4.17Å; L75-V78 HydrophobicContact CG-CG2 4.08Å; L75-V78 WeakPolarHBondContact O-CG2 3.1Å; N76-V78 PolarHBondContact O-N 3.1Å; V78-D82 WeakPolarHBondContact CA-OD2 3.34Å; V78-D82 HydrophobicContact CG1-CB 4.11Å
79	T	89.1	Confident	92.7	Very high	59 Å²	59	44.9 Å²	44.9	36%	0.362	25%	0.248	S	C	.	.			trans	-114.2	173.3	175.4	70.1	0	0	0	0	110.7	S77 E81 D82	S77-T79 PolarHBondContact O-N 2.8Å; T79-E81 PolarHBondContact O-N 3.09Å; T79-E81 PolarHBondContact OG1-N 3.39Å; T79-D82 PolarHBondContact N-OD2 2.98Å; T79-D82 WeakPolarHBondContact O-CB 3.43Å; T79-D82 PolarHBondContact O-N 2.68Å; T79-D82 PolarHBondContact OG1-OD2 3.47Å
80	T	87	Confident	92.5	Very high	111 Å²	111	44.2 Å²	44.2	68%	0.681	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-60.9	-27.4	173.8	47.9	0	0	0	0	112.6	D82 T83	T80-D82 PolarHBondContact O-N 3.36Å; T80-T83 VanDerWaalsContact O-CB 3.29Å; T80-T83 WeakPolarHBondContact O-CB 3.49Å; T80-T83 PolarHBondContact O-N 2.82Å; T80-T83 VanDerWaalsContact O-N 3.15Å; T80-T83 PolarHBondContact O-OG1 3.07Å
81	E	87.4	Confident	91.9	Very high	152 Å²	152	42.3 Å²	42.3	71%	0.71	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-67.5	-17.1	175.4	-59.3	177.4	174.2	0	0	112.8	F33 T79 T83	F33-E81 VanDerWaalsContact CE1-O 3.26Å; F33-E81 WeakPolarHBondContact CE1-O 3.46Å; T79-E81 PolarHBondContact O-N 3.09Å; T79-E81 PolarHBondContact OG1-N 3.39Å; E81-T83 VanDerWaalsContact C-N 3.26Å
82	D	89.4	Confident	90.8	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.027	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-87.7	6.3	175.9	-59.1	-50.4	0	0	0	112.5	R31 R59 L75 V78 T79 T80 A84 Y86	R31-D82 IonicContact CZ-OD1 3.09Å; R31-D82 IonicContact NH1-OD1 2.7Å; R31-D82 PolarHBondContact NH1-OD1 2.92Å; R31-D82 IonicContact NH2-OD1 2.67Å; R59-D82 IonicContact CZ-OD1 3.45Å; R59-D82 IonicContact CZ-OD2 2.73Å; R59-D82 IonicContact NH1-OD1 2.77Å; R59-D82 PolarHBondContact NH1-OD1 2.96Å; R59-D82 IonicContact NH1-OD2 2.8Å; R59-D82 PolarHBondContact NH1-OD2 3.07Å; R59-D82 IonicContact NH2-OD1 2.84Å; R59-D82 PolarHBondContact NH2-OD1 3.29Å; R59-D82 IonicContact NH2-OD2 3.6Å; L75-D82 HydrophobicContact CD2-CB 3.91Å; V78-D82 WeakPolarHBondContact CA-OD2 3.34Å; V78-D82 HydrophobicContact CG1-CB 4.11Å; T79-D82 PolarHBondContact N-OD2 2.98Å; T79-D82 WeakPolarHBondContact O-CB 3.43Å; T79-D82 PolarHBondContact O-N 2.68Å; T79-D82 PolarHBondContact OG1-OD2 3.47Å; T80-D82 PolarHBondContact O-N 3.36Å; D82-A84 PolarHBondContact O-N 2.84Å; D82-A84 VanDerWaalsContact O-N 3.08Å; D82-Y86 PolarHBondContact O-OH 3Å
83	T	90.9	Very high	89.1	Confident	97 Å²	97	48.9 Å²	48.9	60%	0.595	27%	0.271	S	S	*	.			trans	-70.2	104.2	175.7	-52.7	0	0	0	0	110	T80 E81	T80-T83 VanDerWaalsContact O-CB 3.29Å; T80-T83 WeakPolarHBondContact O-CB 3.49Å; T80-T83 PolarHBondContact O-N 2.82Å; T80-T83 VanDerWaalsContact O-N 3.15Å; T80-T83 PolarHBondContact O-OG1 3.07Å; E81-T83 VanDerWaalsContact C-N 3.26Å
84	A	93.3	Very high	87.2	Confident	19 Å²	19	59.1 Å²	59.1	16%	0.157	31%	0.311	C	S	.	.	S	Bend	trans	-156.8	164.7	-176.7	0	0	0	0	0	109.7	R31 Q32 F33 D82 Y86	R31-A84 HydrophobicContact CB-CB 3.84Å; R31-A84 HydrophobicContact CG-CB 4.32Å; Q32-A84 CarbonylContact O-C 3.59Å; Q32-A84 WeakPolarHBondContact O-CA 3.26Å; Q32-A84 VanDerWaalsContact O-CB 3.29Å; Q32-A84 WeakPolarHBondContact O-CB 3.33Å; F33-A84 HydrophobicContact CD1-CB 3.97Å; F33-A84 HydrophobicContact CE1-CB 4.11Å; D82-A84 PolarHBondContact O-N 2.84Å; D82-A84 VanDerWaalsContact O-N 3.08Å; A84-Y86 HydrophobicContact CB-CE2 4.21Å; A84-Y86 VanDerWaalsContact O-CD2 3.24Å; A84-Y86 WeakPolarHBondContact O-CD2 3.48Å; A84-Y86 VanDerWaalsContact O-CE2 3.27Å; A84-Y86 WeakPolarHBondContact O-CE2 3.3Å
85	T	94.3	Very high	85.5	Confident	53 Å²	53	60.9 Å²	60.9	33%	0.325	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	128.8	164.7	-55.8	0	0	0	0	109.1	R31 Q32 Y87 T104	R31-T85 CarbonylContact C-O 3.49Å; R31-T85 WeakPolarHBondContact CA-O 3.24Å; Q32-T85 PolarHBondContact N-O 2.9Å; Q32-T85 PolarHBondContact O-N 3.48Å; T85-Y87 HydrophobicContact CG2-CD2 4.33Å; T85-Y87 HydrophobicContact CG2-CE1 4.1Å; T85-Y87 HydrophobicContact CG2-CE2 3.58Å; T85-Y87 VanDerWaalsContact CG2-CZ 3.45Å; T85-Y87 WeakPolarHBondContact CG2-OH 3.26Å; T85-T104 CarbonylContact C-O 3.54Å; T85-T104 VanDerWaalsContact CA-O 3.3Å; T85-T104 WeakPolarHBondContact CA-O 3.41Å
86	Y	94.7	Very high	84	Confident	13 Å²	13	63.1 Å²	63.1	5%	0.051	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.7	-175.9	-68.3	-98.2	0	0	0	110.9	L10 L12 R31 M41 L73 D82 A84 G103 T104	L10-Y86 HydrophobicContact CD2-CD2 4.49Å; L10-Y86 HydrophobicContact CD2-CE1 4.5Å; L10-Y86 HydrophobicContact CD2-CE2 4Å; L12-Y86 VanDerWaalsContact CD1-CB 3.45Å; L12-Y86 HydrophobicContact CD1-CD1 3.57Å; L12-Y86 HydrophobicContact CD1-CD2 4.03Å; L12-Y86 HydrophobicContact CD1-CE1 4.3Å; L12-Y86 HydrophobicContact CD1-CG 3.4Å; L12-Y86 VanDerWaalsContact CD1-CG 3.4Å; R31-Y86 HydrophobicContact CB-CD1 3.84Å; R31-Y86 HydrophobicContact CB-CE1 3.83Å; R31-Y86 HydrophobicContact CB-CG 4.38Å; M41-Y86 HydrophobicContact CE-CD1 4.49Å; M41-Y86 HydrophobicContact CE-CE1 3.88Å; M41-Y86 HydrophobicContact SD-CD1 3.73Å; M41-Y86 HydrophobicContact SD-CE1 3.6Å; M41-Y86 VanDerWaalsContact SD-CE1 3.6Å; L73-Y86 HydrophobicContact CD2-CD1 4.18Å; L73-Y86 HydrophobicContact CD2-CE1 4.46Å; D82-Y86 PolarHBondContact O-OH 3Å; A84-Y86 HydrophobicContact CB-CE2 4.21Å; A84-Y86 VanDerWaalsContact O-CD2 3.24Å; A84-Y86 WeakPolarHBondContact O-CD2 3.48Å; A84-Y86 VanDerWaalsContact O-CE2 3.27Å; A84-Y86 WeakPolarHBondContact O-CE2 3.3Å; Y86-G103 CarbonylContact O-C 3.55Å; Y86-G103 VanDerWaalsContact O-CA 3.23Å; Y86-G103 WeakPolarHBondContact O-CA 3.47Å; Y86-T104 PolarHBondContact N-O 2.58Å; Y86-T104 PolarHBondContact O-N 2.98Å
87	Y	94.9	Very high	83.1	Confident	48 Å²	48	64.3 Å²	64.3	19%	0.188	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.3	179.4	-60	-86.2	0	0	0	110.8	I30 Q32 T85 W100 G101 G103	I30-Y87 PolarHBondContact N-O 2.75Å; I30-Y87 PolarHBondContact O-N 2.91Å; Q32-Y87 HydrophobicContact CB-CD2 4.16Å; Q32-Y87 HydrophobicContact CB-CE2 3.57Å; Q32-Y87 HydrophobicContact CG-CE2 4.45Å; Q32-Y87 VanDerWaalsContact OE1-CE2 3.27Å; Q32-Y87 PolarHBondContact OE1-OH 3.27Å; T85-Y87 HydrophobicContact CG2-CD2 4.33Å; T85-Y87 HydrophobicContact CG2-CE1 4.1Å; T85-Y87 HydrophobicContact CG2-CE2 3.58Å; T85-Y87 VanDerWaalsContact CG2-CZ 3.45Å; T85-Y87 WeakPolarHBondContact CG2-OH 3.26Å; Y87-W100 HydrophobicContact CG-CE3 4.25Å; Y87-W100 HydrophobicContact CG-CZ3 4.48Å; Y87-G101 WeakPolarHBondContact CD1-O 3.46Å; Y87-G103 VanDerWaalsContact CE1-CA 3.45Å
88	C	94.1	Very high	82	Confident	18 Å²	18	63.7 Å²	63.7	12%	0.122	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	140.6	166.2	62.7	0	0	0	0	109.9	C14 N28 W29 F71 W100 G101	C14-C88 HydrophobicContact CB-CB 3.37Å; C14-C88 WeakPolarHBondContact CB-SG 3.3Å; C14-C88 WeakPolarHBondContact SG-CB 3.26Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 3.13Å; N28-C88 CarbonylContact O-C 3.54Å; N28-C88 VanDerWaalsContact O-CA 3.26Å; N28-C88 WeakPolarHBondContact O-CA 3.43Å; W29-C88 HydrophobicContact CE3-CB 4.29Å; W29-C88 HydrophobicContact CH2-CB 4.29Å; W29-C88 HydrophobicContact CZ3-CB 4.14Å; F71-C88 HydrophobicContact CE2-CB 3.9Å; F71-C88 HydrophobicContact CZ-CB 3.54Å; C88-W100 CarbonylContact O-C 3.53Å; C88-W100 WeakPolarHBondContact O-CA 3.35Å; C88-G101 PolarHBondContact O-N 2.77Å
89	A	92.4	Very high	81.2	Confident	2 Å²	2	69.8 Å²	69.8	2%	0.017	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	142.9	-176.3	0	0	0	0	0	112.8	N28 I30 F97 Y99 W100	N28-A89 HydrophobicContact CB-CB 4.36Å; N28-A89 WeakPolarHBondContact CB-O 3.47Å; N28-A89 PolarHBondContact N-O 3.06Å; N28-A89 PolarHBondContact ND2-O 2.82Å; N28-A89 PolarHBondContact O-N 3.15Å; I30-A89 HydrophobicContact CD1-CB 4Å; A89-F97 HydrophobicContact CB-CB 4.2Å; A89-F97 HydrophobicContact CB-CD1 4.27Å; A89-F97 HydrophobicContact CB-CG 4.22Å; A89-Y99 CarbonylContact C-O 3.51Å; A89-Y99 WeakPolarHBondContact CA-O 3.28Å; A89-Y99 WeakPolarHBondContact CB-O 3.29Å; A89-W100 HydrophobicContact CB-CD2 3.88Å; A89-W100 HydrophobicContact CB-CE3 4.07Å; A89-W100 HydrophobicContact CB-CG 4.22Å
90	R	90.8	Very high	80.7	Confident	29 Å²	29	72.3 Å²	72.3	11%	0.109	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.8	173.7	-174.9	-179.8	66.4	174.8	-5.3	109.6	Y19 Y25 W27 F97 A98 Y99	Y19-R90 VanDerWaalsContact CD2-NH1 3.33Å; Y19-R90 VanDerWaalsContact CE1-NH1 3.29Å; Y25-R90 HydrophobicContact CD1-CG 3.72Å; Y25-R90 HydrophobicContact CE1-CG 4.48Å; Y25-R90 HydrophobicContact CG-CG 3.84Å; W27-R90 HydrophobicContact CE3-CB 3.95Å; W27-R90 HydrophobicContact CE3-CG 4.03Å; W27-R90 HydrophobicContact CH2-CB 4.36Å; W27-R90 HydrophobicContact CH2-CG 3.78Å; W27-R90 HydrophobicContact CZ2-CG 4.45Å; W27-R90 HydrophobicContact CZ3-CB 3.61Å; W27-R90 HydrophobicContact CZ3-CG 3.53Å; R90-F97 CarbonylContact O-C 3.44Å; R90-F97 WeakPolarHBondContact O-CA 3.26Å; R90-A98 PolarHBondContact O-N 2.9Å; R90-Y99 PolarHBondContact N-O 3.31Å; R90-Y99 VanDerWaalsContact NH2-CZ 3.33Å; R90-Y99 PolarHBondContact O-N 3.28Å
91	G	83.6	Confident	80.3	Confident	2 Å²	2	68.2 Å²	68.2	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.9	173.3	0	0	0	0	0	112.1	A26 G96	A26-G91 PolarHBondContact N-O 3.06Å; A26-G91 PolarHBondContact O-N 2.81Å; G91-G96 VanDerWaalsContact CA-O 3.28Å; G91-G96 WeakPolarHBondContact CA-O 3.3Å
92	K	72.1	Confident	79.9	Confident	82 Å²	82	70.1 Å²	70.1	36%	0.357	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	146.3	163.5	-73.9	-158.4	175	-143.9	0	108.5	D24 Y25 Y94 V95	D24-K92 WeakPolarHBondContact O-CE 3.41Å; D24-K92 IonicContact OD2-NZ 3.73Å; D24-K92 PolarHBondContact OD2-NZ 3.04Å; Y25-K92 HydrophobicContact CD1-CG 3.62Å; Y25-K92 HydrophobicContact CE1-CD 4.31Å; Y25-K92 HydrophobicContact CE1-CG 3.65Å; K92-Y94 PolarHBondContact O-N 2.69Å; K92-V95 HydrophobicContact CB-CB 4.23Å; K92-V95 HydrophobicContact CB-CG2 3.69Å; K92-V95 HydrophobicContact CD-CG2 4.47Å; K92-V95 PolarHBondContact O-N 3.24Å
93	T	59.2	Low	78.9	Confident	102 Å²	102	71.1 Å²	71.1	63%	0.626	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-18.3	-175.5	-38.7	0	0	0	0	114.2
94	Y	57.9	Low	78	Confident	215 Å²	215	70.5 Å²	70.5	84%	0.843	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	3.1	-176.5	-56.1	-74.2	0	0	0	115.5	K92	K92-Y94 PolarHBondContact O-N 2.69Å
95	V	59.2	Low	77.3	Confident	113 Å²	113	73.1 Å²	73.1	69%	0.685	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.9	16.1	-164.3	-142	0	0	0	0	114.7	K92	K92-V95 HydrophobicContact CB-CB 4.23Å; K92-V95 HydrophobicContact CB-CG2 3.69Å; K92-V95 HydrophobicContact CD-CG2 4.47Å; K92-V95 PolarHBondContact O-N 3.24Å
96	G	63.1	Low	76.4	Confident	48 Å²	48	74.2 Å²	74.2	50%	0.495	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	73.9	176.9	179.2	0	0	0	0	0	114.2	G91 A98	G91-G96 VanDerWaalsContact CA-O 3.28Å; G91-G96 WeakPolarHBondContact CA-O 3.3Å; G96-A98 PolarHBondContact O-N 3.16Å
97	F	72.2	Confident	75.3	Confident	83 Å²	83	77.6 Å²	77.6	36%	0.364	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	106	-178.7	-56.5	-54.5	0	0	0	110.5	N28 I30 A89 R90 W100	N28-F97 HydrophobicContact CB-CD1 4.37Å; N28-F97 HydrophobicContact CB-CE1 3.87Å; N28-F97 HydrophobicContact CB-CZ 4.39Å; N28-F97 VanDerWaalsContact ND2-CE1 3.33Å; N28-F97 WeakPolarHBondContact ND2-CE1 3.21Å; N28-F97 VanDerWaalsContact OD1-CE1 3.26Å; N28-F97 WeakPolarHBondContact OD1-CE1 3.43Å; I30-F97 HydrophobicContact CD1-CD2 3.88Å; I30-F97 HydrophobicContact CD1-CE2 3.7Å; I30-F97 HydrophobicContact CD1-CG 4.41Å; I30-F97 HydrophobicContact CD1-CZ 4.12Å; A89-F97 HydrophobicContact CB-CB 4.2Å; A89-F97 HydrophobicContact CB-CD1 4.27Å; A89-F97 HydrophobicContact CB-CG 4.22Å; R90-F97 CarbonylContact O-C 3.44Å; R90-F97 WeakPolarHBondContact O-CA 3.26Å; F97-W100 HydrophobicContact CB-CZ2 4.06Å; F97-W100 HydrophobicContact CD2-CH2 4.39Å; F97-W100 AromaticContact CD2-CZ2 3.76Å; F97-W100 HydrophobicContact CD2-CZ2 3.76Å; F97-W100 HydrophobicContact CG-CZ2 4.24Å
98	A	66.1	Low	74.2	Confident	69 Å²	69	79.3 Å²	79.3	57%	0.57	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	-22.4	-175.3	0	0	0	0	0	113.2	R90 G96	R90-A98 PolarHBondContact O-N 2.9Å; G96-A98 PolarHBondContact O-N 3.16Å
99	Y	72.8	Confident	73	Confident	145 Å²	145	83.1 Å²	83.1	57%	0.569	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.6	136.9	-177.4	-65.4	-100.2	0	0	0	110.7	A89 R90	A89-Y99 CarbonylContact C-O 3.51Å; A89-Y99 WeakPolarHBondContact CA-O 3.28Å; A89-Y99 WeakPolarHBondContact CB-O 3.29Å; R90-Y99 PolarHBondContact N-O 3.31Å; R90-Y99 VanDerWaalsContact NH2-CZ 3.33Å; R90-Y99 PolarHBondContact O-N 3.28Å
100	W	79.1	Confident	71.7	Confident	113 Å²	113	88.5 Å²	88.5	43%	0.428	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.9	179.7	-67.2	74.4	0	0	0	110.3	I30 L38 Y87 C88 A89 F97	I30-W100 HydrophobicContact CB-CH2 4.3Å; I30-W100 HydrophobicContact CB-CZ3 3.9Å; I30-W100 HydrophobicContact CD1-CE3 4.25Å; I30-W100 HydrophobicContact CD1-CH2 3.17Å; I30-W100 HydrophobicContact CD1-CZ2 3.85Å; I30-W100 HydrophobicContact CD1-CZ3 3.39Å; I30-W100 HydrophobicContact CG1-CH2 4.27Å; I30-W100 HydrophobicContact CG1-CZ3 4.2Å; I30-W100 HydrophobicContact CG2-CH2 4Å; I30-W100 HydrophobicContact CG2-CZ3 3.85Å; L38-W100 HydrophobicContact CD1-CH2 4.44Å; Y87-W100 HydrophobicContact CG-CE3 4.25Å; Y87-W100 HydrophobicContact CG-CZ3 4.48Å; C88-W100 CarbonylContact O-C 3.53Å; C88-W100 WeakPolarHBondContact O-CA 3.35Å; A89-W100 HydrophobicContact CB-CD2 3.88Å; A89-W100 HydrophobicContact CB-CE3 4.07Å; A89-W100 HydrophobicContact CB-CG 4.22Å; F97-W100 HydrophobicContact CB-CZ2 4.06Å; F97-W100 HydrophobicContact CD2-CH2 4.39Å; F97-W100 AromaticContact CD2-CZ2 3.76Å; F97-W100 HydrophobicContact CD2-CZ2 3.76Å; F97-W100 HydrophobicContact CG-CZ2 4.24Å
101	G	78	Confident	70.3	Confident	25 Å²	25	92.8 Å²	92.8	26%	0.258	49%	0.492	S	S	.	.			trans	-74.6	167.9	170.9	0	0	0	0	0	111.9	Y87 C88 G103	Y87-G101 WeakPolarHBondContact CD1-O 3.46Å; C88-G101 PolarHBondContact O-N 2.77Å; G101-G103 PolarHBondContact O-N 3.38Å; G101-G103 VanDerWaalsContact O-N 3.07Å
102	Q	78.8	Confident	69.3	Low	192 Å²	192	99.8 Å²	99.8	90%	0.897	53%	0.529	S	S	*	.			trans	-70.7	-0.6	-174.3	-68.9	-66.6	-55.4	0	0	115.1
103	G	69.8	Low	69	Low	26 Å²	26	101.3 Å²	101.3	27%	0.268	54%	0.543	S	S	.	.			trans	76.9	161.8	-177.2	0	0	0	0	0	113	Y86 Y87 G101	Y86-G103 CarbonylContact O-C 3.55Å; Y86-G103 VanDerWaalsContact O-CA 3.23Å; Y86-G103 WeakPolarHBondContact O-CA 3.47Å; Y87-G103 VanDerWaalsContact CE1-CA 3.45Å; G101-G103 PolarHBondContact O-N 3.38Å; G101-G103 VanDerWaalsContact O-N 3.07Å
104	T	72.1	Confident	69.9	Low	84 Å²	84	101.2 Å²	101.2	52%	0.515	54%	0.536	S	S	.	.			trans	-143.6	0	171.7	-111.8	0	0	0	0	109.6	P1 L12 T85 Y86	P1-T104 HydrophobicContact CB-CG2 3.45Å; P1-T104 VanDerWaalsContact CB-CG2 3.45Å; P1-T104 HydrophobicContact CG-CG2 3.78Å; P1-T104 WeakPolarHBondContact CG-OXT 3.39Å; L12-T104 HydrophobicContact CD2-CG2 3.5Å; T85-T104 CarbonylContact C-O 3.54Å; T85-T104 VanDerWaalsContact CA-O 3.3Å; T85-T104 WeakPolarHBondContact CA-O 3.41Å; Y86-T104 PolarHBondContact N-O 2.58Å; Y86-T104 PolarHBondContact O-N 2.98Å

Retrieved 104 of 104 residues in 79.4 ms (Link to these results)

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