X5J5T3_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5T3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 92 aa.

						>X5J5T3_MOUSE|X5J5T3
PDLVKPSQSLSLTCTVTGYSITSGYSWHWIRQFPGNKLEWMGYIHYSGSTNYNPSLKSRISITRDTSKNQFFLQLNSVTTEDTATYYCARSR
					

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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	55.9	Low	79.1	Confident	182 Å²	182	103.3 Å²	103.3	100%	1.182	60%	0.596	S	S	*	*				0	112.8	0	-5.2	24.4	0	0	0	109.2
2	D	65.1	Low	80.5	Confident	144 Å²	144	97.3 Å²	97.3	77%	0.77	56%	0.56	S	S	*	*			trans	-79.8	128.1	175.8	-87	-34.9	0	0	0	110.2
3	L	74.1	Confident	81.8	Confident	176 Å²	176	95.7 Å²	95.7	92%	0.921	55%	0.553	S	S	*	*			trans	-100.5	109.8	174.9	-168.1	86.9	0	0	0	108
4	V	76.8	Confident	82.8	Confident	50 Å²	50	89.9 Å²	89.9	30%	0.303	52%	0.52	S	S	.	.			trans	-106.8	137.5	178.8	-176.5	0	0	0	0	109.3	Q8 L10 V78	V4-Q8 HydrophobicContact CG1-CB 3.64Å; V4-L10 HydrophobicContact CG2-CB 4.46Å; V4-L10 HydrophobicContact CG2-CD1 3.67Å; V4-V78 HydrophobicContact CG1-CG2 3.75Å
5	K	77.5	Confident	83.7	Confident	151 Å²	151	89.1 Å²	89.1	66%	0.657	52%	0.518	S	S	*	.			trans	-74	151.4	177.4	-65.8	-179.2	179.2	179.1	0	110.3	Q8	K5-Q8 HydrophobicContact CB-CG 4.2Å; K5-Q8 WeakPolarHBondContact O-CB 3.37Å; K5-Q8 PolarHBondContact O-N 3.29Å
6	P	77.1	Confident	84.4	Confident	87 Å²	87	84.7 Å²	84.7	57%	0.565	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	147.4	172.4	-25.2	34.3	0	0	0	112.1	Q8 V78	P6-Q8 PolarHBondContact O-N 3.19Å; P6-V78 WeakPolarHBondContact CA-O 3.38Å
7	S	79.1	Confident	84.9	Confident	103 Å²	103	86.9 Å²	86.9	72%	0.72	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	0.2	-178.4	-48.8	0	0	0	0	116.1	V78	S7-V78 PolarHBondContact N-O 2.79Å
8	Q	88.3	Confident	85.1	Confident	98 Å²	98	86.8 Å²	86.8	46%	0.458	53%	0.528	S	S	.	.	S	Bend	trans	-81.7	179.2	167.3	-63.5	-173.1	-44.4	0	0	110.7	V4 K5 P6 S77 V78	V4-Q8 HydrophobicContact CG1-CB 3.64Å; K5-Q8 HydrophobicContact CB-CG 4.2Å; K5-Q8 WeakPolarHBondContact O-CB 3.37Å; K5-Q8 PolarHBondContact O-N 3.29Å; P6-Q8 PolarHBondContact O-N 3.19Å; Q8-S77 PolarHBondContact O-N 3.36Å; Q8-V78 WeakPolarHBondContact O-CG2 3.26Å; Q8-V78 PolarHBondContact O-N 3.08Å
9	S	90.3	Very high	85.2	Confident	61 Å²	61	87.3 Å²	87.3	43%	0.427	52%	0.52	S	S	.	.			trans	-109.2	133.7	171.1	-55.8	0	0	0	0	109.9	L75 N76	S9-L75 CarbonylContact C-O 3.49Å; S9-L75 VanDerWaalsContact CA-O 3.24Å; S9-L75 WeakPolarHBondContact CA-O 3.28Å; S9-N76 WeakPolarHBondContact CB-OD1 3.32Å; S9-N76 PolarHBondContact OG-OD1 2.74Å
10	L	91.8	Very high	85.5	Confident	19 Å²	19	85.5 Å²	85.5	10%	0.099	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.2	174	172.4	66.7	0	0	0	108.9	V4 L12 Q74 L75 V78 Y86	V4-L10 HydrophobicContact CG2-CB 4.46Å; V4-L10 HydrophobicContact CG2-CD1 3.67Å; L10-L12 HydrophobicContact CD1-CD2 4.02Å; L10-L12 HydrophobicContact CD1-CG 4.23Å; L10-L12 HydrophobicContact CD2-CD1 4.05Å; L10-L12 HydrophobicContact CD2-CG 4.19Å; L10-L12 HydrophobicContact CG-CD1 4.42Å; L10-L12 HydrophobicContact CG-CD2 4.36Å; L10-L12 HydrophobicContact CG-CG 4.03Å; L10-Q74 CarbonylContact O-C 3.45Å; L10-Q74 WeakPolarHBondContact O-CA 3.42Å; L10-Q74 PolarHBondContact O-NE2 3.17Å; L10-L75 HydrophobicContact CB-CB 4.4Å; L10-L75 PolarHBondContact N-O 3.33Å; L10-L75 PolarHBondContact O-N 2.89Å; L10-V78 HydrophobicContact CB-CG1 4.2Å; L10-V78 HydrophobicContact CB-CG2 4.36Å; L10-Y86 HydrophobicContact CD2-CE2 4.13Å
11	S	94.4	Very high	85.9	Confident	65 Å²	65	81.4 Å²	81.4	46%	0.455	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.2	173.4	-155	0	0	0	0	109.5	L73 Q74	S11-L73 CarbonylContact C-O 3.57Å; S11-L73 WeakPolarHBondContact CA-O 3.49Å; S11-Q74 VanDerWaalsContact CB-OE1 3.23Å; S11-Q74 PolarHBondContact OG-OE1 2.73Å
12	L	95.9	Very high	87.7	Confident	32 Å²	32	75.9 Å²	75.9	17%	0.168	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141.1	179.7	-65.4	172.3	0	0	0	109.9	L10 W29 F72 L73 Y86	L10-L12 HydrophobicContact CD1-CD2 4.02Å; L10-L12 HydrophobicContact CD1-CG 4.23Å; L10-L12 HydrophobicContact CD2-CD1 4.05Å; L10-L12 HydrophobicContact CD2-CG 4.19Å; L10-L12 HydrophobicContact CG-CD1 4.42Å; L10-L12 HydrophobicContact CG-CD2 4.36Å; L10-L12 HydrophobicContact CG-CG 4.03Å; L12-W29 HydrophobicContact CB-CH2 3.65Å; L12-W29 HydrophobicContact CB-CZ2 4.38Å; L12-W29 HydrophobicContact CB-CZ3 3.91Å; L12-W29 HydrophobicContact CD1-CZ3 4.17Å; L12-F72 CarbonylContact O-C 3.52Å; L12-F72 WeakPolarHBondContact O-CA 3.42Å; L12-L73 HydrophobicContact CB-CB 4.37Å; L12-L73 HydrophobicContact CD1-CD2 4.19Å; L12-L73 PolarHBondContact N-O 2.86Å; L12-L73 PolarHBondContact O-N 3.35Å; L12-Y86 VanDerWaalsContact CD1-CB 3.47Å; L12-Y86 HydrophobicContact CD1-CD1 3.62Å; L12-Y86 HydrophobicContact CD1-CD2 4.02Å; L12-Y86 HydrophobicContact CD1-CE1 4.36Å; L12-Y86 HydrophobicContact CD1-CG 3.42Å; L12-Y86 VanDerWaalsContact CD1-CG 3.42Å
13	T	96.8	Very high	88.9	Confident	76 Å²	76	71.1 Å²	71.1	47%	0.466	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130	178	-57.4	0	0	0	0	109.7	Q70 F72	T13-Q70 HydrophobicContact CG2-CB 4.37Å; T13-Q70 HydrophobicContact CG2-CG 4.1Å; T13-F72 HydrophobicContact CG2-CD1 3.83Å; T13-F72 HydrophobicContact CG2-CE1 3.46Å; T13-F72 VanDerWaalsContact CG2-CE1 3.46Å; T13-F72 HydrophobicContact CG2-CZ 4.35Å; T13-F72 VanDerWaalsContact OG1-CD1 3.26Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.28Å; T13-F72 WeakPolarHBondContact OG1-CE1 3.18Å
14	C	96	Very high	89.6	Confident	14 Å²	14	64.2 Å²	64.2	10%	0.095	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.3	165.8	-173.3	0	0	0	0	109.3	W29 Q70 F71 C88	C14-W29 HydrophobicContact CB-CH2 3.94Å; C14-W29 HydrophobicContact CB-CZ2 3.98Å; C14-Q70 WeakPolarHBondContact O-CA 3.35Å; C14-F71 HydrophobicContact CB-CD1 4.1Å; C14-F71 HydrophobicContact CB-CD2 4.23Å; C14-F71 HydrophobicContact CB-CE1 3.66Å; C14-F71 HydrophobicContact CB-CE2 3.79Å; C14-F71 HydrophobicContact CB-CG 4.39Å; C14-F71 HydrophobicContact CB-CZ 3.52Å; C14-F71 PolarHBondContact N-O 3.07Å; C14-F71 PolarHBondContact O-N 2.77Å; C14-F71 VanDerWaalsContact SG-CE1 3.59Å; C14-F71 VanDerWaalsContact SG-CZ 3.51Å; C14-C88 HydrophobicContact CB-CB 3.52Å; C14-C88 WeakPolarHBondContact CB-SG 3.31Å; C14-C88 WeakPolarHBondContact SG-CB 3.44Å; C14-C88 CovalentContact SG-SG 2.05Å; C14-C88 PolarHBondContact SG-SG 3.38Å
15	T	96.4	Very high	90.4	Very high	78 Å²	78	62.9 Å²	62.9	48%	0.479	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.5	175.4	-55.8	0	0	0	0	108.9	Q70	T15-Q70 HydrophobicContact CG2-CG 4.05Å; T15-Q70 WeakPolarHBondContact OG1-CG 3.15Å; T15-Q70 PolarHBondContact OG1-NE2 2.83Å
16	V	94.4	Very high	91.2	Very high	19 Å²	19	56.2 Å²	56.2	12%	0.115	36%	0.362	C	S	.	.			trans	-95.4	134.6	178.1	-178.5	0	0	0	0	109	Y19 I21 W27 N69 F71	V16-Y19 VanDerWaalsContact CG1-O 3.32Å; V16-Y19 WeakPolarHBondContact CG1-O 3.27Å; V16-I21 HydrophobicContact CB-CG2 3.91Å; V16-I21 HydrophobicContact CG2-CG2 3.61Å; V16-W27 HydrophobicContact CB-CH2 4.37Å; V16-W27 HydrophobicContact CG1-CH2 3.67Å; V16-W27 HydrophobicContact CG1-CZ2 4.41Å; V16-W27 HydrophobicContact CG1-CZ3 4.15Å; V16-W27 HydrophobicContact CG2-CE3 4.07Å; V16-W27 HydrophobicContact CG2-CH2 3.82Å; V16-W27 HydrophobicContact CG2-CZ2 4.41Å; V16-W27 HydrophobicContact CG2-CZ3 3.63Å; V16-N69 PolarHBondContact N-O 3.28Å; V16-N69 PolarHBondContact O-ND2 3.35Å; V16-F71 HydrophobicContact CG2-CD1 4.23Å; V16-F71 HydrophobicContact CG2-CE1 3.78Å
17	T	93.1	Very high	92.1	Very high	123 Å²	123	52.7 Å²	52.7	76%	0.755	34%	0.337	S	S	*	.			trans	-120.9	148.6	175.2	56.8	0	0	0	0	109.9	Y19	T17-Y19 PolarHBondContact O-N 2.78Å; T17-Y19 VanDerWaalsContact O-N 3.15Å
18	G	89.9	Confident	93	Very high	84 Å²	84	49.4 Å²	49.4	87%	0.866	31%	0.311	S	S	*	.	S	Bend	trans	72.1	0.4	179.4	0	0	0	0	0	116.1
19	Y	86.1	Confident	93.5	Very high	97 Å²	97	45.1 Å²	45.1	38%	0.38	29%	0.29	S	S	.	.	S	Bend	trans	-154.5	147.8	178.3	-138.1	-94.8	0	0	0	111.2	V16 T17 S23 Y25 N69	V16-Y19 VanDerWaalsContact CG1-O 3.32Å; V16-Y19 WeakPolarHBondContact CG1-O 3.27Å; T17-Y19 PolarHBondContact O-N 2.78Å; T17-Y19 VanDerWaalsContact O-N 3.15Å; Y19-S23 WeakPolarHBondContact CD1-OG 3.33Å; Y19-S23 WeakPolarHBondContact CE1-OG 3.45Å; Y19-Y25 HydrophobicContact CD1-CD2 4.23Å; Y19-Y25 HydrophobicContact CD1-CE2 4.11Å; Y19-Y25 AromaticContact CE1-CD2 3.64Å; Y19-Y25 HydrophobicContact CE1-CD2 3.64Å; Y19-Y25 AromaticContact CE1-CE2 3.16Å; Y19-Y25 HydrophobicContact CE1-CE2 3.16Å; Y19-Y25 AromaticContact CE1-CZ 3.99Å; Y19-Y25 AromaticContact CZ-CE2 3.61Å; Y19-Y25 WeakPolarHBondContact OH-CE2 2.96Å; Y19-Y25 PolarHBondContact OH-OH 2.91Å; Y19-N69 PolarHBondContact O-ND2 2.86Å; Y19-N69 PolarHBondContact O-OD1 3.16Å
20	S	91.7	Very high	93.8	Very high	50 Å²	50	44.2 Å²	44.2	35%	0.35	28%	0.28	S	S	.	.			trans	-82.2	141.7	176.1	172.9	0	0	0	0	111.7	T22 S23 N69	S20-T22 PolarHBondContact O-N 2.76Å; S20-T22 PolarHBondContact OG-N 3.29Å; S20-T22 VanDerWaalsContact OG-N 3.14Å; S20-T22 PolarHBondContact OG-OG1 2.85Å; S20-S23 WeakPolarHBondContact O-CB 3.31Å; S20-S23 PolarHBondContact O-N 3.07Å; S20-S23 PolarHBondContact O-OG 3.49Å; S20-N69 WeakPolarHBondContact CA-OD1 3.45Å
21	I	93.3	Very high	94	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.7	173.1	63.9	170.9	0	0	0	114.2	V16 W27 R64 T66 N69 Q70 F71	V16-I21 HydrophobicContact CB-CG2 3.91Å; V16-I21 HydrophobicContact CG2-CG2 3.61Å; I21-W27 HydrophobicContact CB-CZ2 4.23Å; I21-W27 HydrophobicContact CG2-CD2 4.39Å; I21-W27 HydrophobicContact CG2-CZ2 3.99Å; I21-W27 PolarHBondContact O-NE1 2.68Å; I21-R64 HydrophobicContact CD1-CB 3.94Å; I21-R64 HydrophobicContact CD1-CG 4.47Å; I21-T66 HydrophobicContact CD1-CG2 4.16Å; I21-T66 HydrophobicContact CG1-CG2 4.34Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.41Å; I21-N69 PolarHBondContact N-OD1 2.87Å; I21-Q70 VanDerWaalsContact CD1-O 3.27Å; I21-Q70 WeakPolarHBondContact CD1-O 3.4Å; I21-F71 HydrophobicContact CG2-CD1 4.3Å
22	T	93.9	Very high	94.2	Very high	66 Å²	66	42.8 Å²	42.8	41%	0.405	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	8.1	-179.1	60.3	0	0	0	0	114.2	S20 G24 T66	S20-T22 PolarHBondContact O-N 2.76Å; S20-T22 PolarHBondContact OG-N 3.29Å; S20-T22 VanDerWaalsContact OG-N 3.14Å; S20-T22 PolarHBondContact OG-OG1 2.85Å; T22-G24 PolarHBondContact O-N 2.63Å; T22-T66 HydrophobicContact CG2-CG2 3.44Å; T22-T66 VanDerWaalsContact CG2-CG2 3.44Å
23	S	90.1	Very high	94.1	Very high	44 Å²	44	43.1 Å²	43.1	31%	0.308	27%	0.266	S	S	.	.	S	Bend	trans	-93	32.6	-164.1	57.8	0	0	0	0	115.6	Y19 S20 Y25	Y19-S23 WeakPolarHBondContact CD1-OG 3.33Å; Y19-S23 WeakPolarHBondContact CE1-OG 3.45Å; S20-S23 WeakPolarHBondContact O-CB 3.31Å; S20-S23 PolarHBondContact O-N 3.07Å; S20-S23 PolarHBondContact O-OG 3.49Å; S23-Y25 VanDerWaalsContact O-CD2 3.29Å; S23-Y25 WeakPolarHBondContact O-CD2 3.38Å; S23-Y25 WeakPolarHBondContact O-CE2 3.42Å; S23-Y25 WeakPolarHBondContact OG-CD2 3.33Å
24	G	89.9	Confident	93.9	Very high	32 Å²	32	45 Å²	45	33%	0.33	28%	0.279	S	S	.	.	S	Bend	trans	91.7	8.5	176.8	0	0	0	0	0	115.9	T22 Y46	T22-G24 PolarHBondContact O-N 2.63Å; G24-Y46 VanDerWaalsContact CA-CG 3.5Å
25	Y	92.4	Very high	93.8	Very high	21 Å²	21	47.9 Å²	47.9	8%	0.082	31%	0.312	C	S	.	.			trans	-109.7	159.5	-177.3	-64.5	-93.1	0	0	0	112.6	Y19 S23 Y46 R90 S91 R92	Y19-Y25 HydrophobicContact CD1-CD2 4.23Å; Y19-Y25 HydrophobicContact CD1-CE2 4.11Å; Y19-Y25 AromaticContact CE1-CD2 3.64Å; Y19-Y25 HydrophobicContact CE1-CD2 3.64Å; Y19-Y25 AromaticContact CE1-CE2 3.16Å; Y19-Y25 HydrophobicContact CE1-CE2 3.16Å; Y19-Y25 AromaticContact CE1-CZ 3.99Å; Y19-Y25 AromaticContact CZ-CE2 3.61Å; Y19-Y25 WeakPolarHBondContact OH-CE2 2.96Å; Y19-Y25 PolarHBondContact OH-OH 2.91Å; S23-Y25 VanDerWaalsContact O-CD2 3.29Å; S23-Y25 WeakPolarHBondContact O-CD2 3.38Å; S23-Y25 WeakPolarHBondContact O-CE2 3.42Å; S23-Y25 WeakPolarHBondContact OG-CD2 3.33Å; Y25-Y46 WeakPolarHBondContact O-CB 3.09Å; Y25-Y46 PolarHBondContact O-N 3.05Å; Y25-R90 HydrophobicContact CD1-CG 3.68Å; Y25-R90 HydrophobicContact CE1-CG 4.49Å; Y25-R90 HydrophobicContact CG-CG 3.92Å; Y25-S91 WeakPolarHBondContact CA-O 3.36Å; Y25-S91 WeakPolarHBondContact CB-O 3.45Å; Y25-S91 WeakPolarHBondContact CD1-O 2.95Å; Y25-R92 HydrophobicContact CD1-CG 3.69Å; Y25-R92 HydrophobicContact CE1-CG 3.34Å; Y25-R92 PolarHBondContact OH-NE 3.46Å; Y25-R92 PolarHBondContact OH-NH2 2.58Å
26	S	95.1	Very high	93.5	Very high	12 Å²	12	50.2 Å²	50.2	8%	0.084	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	140.7	164.7	-63.2	0	0	0	0	111	H28 H45 R90 S91	S26-H28 WeakPolarHBondContact CB-NE2 3.5Å; S26-H45 PolarHBondContact OG-CD2 2.91Å; S26-R90 WeakPolarHBondContact O-CA 3.19Å; S26-S91 PolarHBondContact N-O 2.95Å; S26-S91 PolarHBondContact O-N 3.39Å
27	W	96.3	Very high	93.5	Very high	12 Å²	12	56.2 Å²	56.2	5%	0.045	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	114.4	178.2	-58.5	99.6	0	0	0	109.5	V16 I21 Y43 I44 F71 R90	V16-W27 HydrophobicContact CB-CH2 4.37Å; V16-W27 HydrophobicContact CG1-CH2 3.67Å; V16-W27 HydrophobicContact CG1-CZ2 4.41Å; V16-W27 HydrophobicContact CG1-CZ3 4.15Å; V16-W27 HydrophobicContact CG2-CE3 4.07Å; V16-W27 HydrophobicContact CG2-CH2 3.82Å; V16-W27 HydrophobicContact CG2-CZ2 4.41Å; V16-W27 HydrophobicContact CG2-CZ3 3.63Å; I21-W27 HydrophobicContact CB-CZ2 4.23Å; I21-W27 HydrophobicContact CG2-CD2 4.39Å; I21-W27 HydrophobicContact CG2-CZ2 3.99Å; I21-W27 PolarHBondContact O-NE1 2.68Å; W27-Y43 CarbonylContact O-C 3.54Å; W27-Y43 WeakPolarHBondContact O-CA 3.37Å; W27-Y43 WeakPolarHBondContact O-CB 3.38Å; W27-I44 HydrophobicContact CB-CG2 4.08Å; W27-I44 PolarHBondContact N-O 2.91Å; W27-I44 PolarHBondContact O-N 2.66Å; W27-F71 HydrophobicContact CB-CD1 4.03Å; W27-F71 HydrophobicContact CB-CD2 4.05Å; W27-F71 HydrophobicContact CB-CE1 3.79Å; W27-F71 HydrophobicContact CB-CE2 3.83Å; W27-F71 HydrophobicContact CB-CG 4.12Å; W27-F71 HydrophobicContact CB-CZ 3.65Å; W27-F71 HydrophobicContact CD2-CD1 4.3Å; W27-F71 AromaticContact CD2-CE1 3.82Å; W27-F71 HydrophobicContact CD2-CE1 3.82Å; W27-F71 HydrophobicContact CD2-CZ 4.32Å; W27-F71 HydrophobicContact CE3-CD1 4.48Å; W27-F71 AromaticContact CE3-CE1 3.59Å; W27-F71 HydrophobicContact CE3-CE1 3.59Å; W27-F71 AromaticContact CE3-CZ 3.96Å; W27-F71 HydrophobicContact CE3-CZ 3.96Å; W27-F71 HydrophobicContact CG-CD1 4.09Å; W27-F71 AromaticContact CG-CE1 3.91Å; W27-F71 HydrophobicContact CG-CE1 3.91Å; W27-F71 HydrophobicContact CG-CZ 4.23Å; W27-F71 HydrophobicContact CZ3-CE1 4.43Å; W27-R90 HydrophobicContact CE3-CB 4Å; W27-R90 HydrophobicContact CE3-CG 4.15Å; W27-R90 HydrophobicContact CH2-CB 4.24Å; W27-R90 VanDerWaalsContact CH2-CD 3.5Å; W27-R90 HydrophobicContact CH2-CG 3.8Å; W27-R90 HydrophobicContact CZ2-CG 4.33Å; W27-R90 HydrophobicContact CZ3-CB 3.62Å; W27-R90 HydrophobicContact CZ3-CG 3.68Å
28	H	97.3	Very high	93.6	Very high	35 Å²	35	55.5 Å²	55.5	16%	0.162	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	145.9	-170.7	-63.8	-109.9	0	0	0	110.9	S26 W40 G42 Y43 C88 A89 S91	S26-H28 WeakPolarHBondContact CB-NE2 3.5Å; H28-W40 AromaticContact ND1-CD1 3.84Å; H28-W40 AromaticContact ND1-NE1 3.28Å; H28-W40 PolarHBondContact ND1-NE1 3.19Å; H28-G42 WeakPolarHBondContact CA-O 3.45Å; H28-Y43 AromaticContact CE1-CD1 3.77Å; H28-Y43 AromaticContact CE1-CG 3.9Å; H28-C88 WeakPolarHBondContact O-CA 3.36Å; H28-A89 HydrophobicContact CB-CB 4.35Å; H28-A89 PolarHBondContact N-O 3.25Å; H28-A89 PolarHBondContact O-N 3.05Å; H28-S91 WeakPolarHBondContact NE2-CB 3.37Å
29	W	97.9	Very high	93.9	Very high	7 Å²	7	53.6 Å²	53.6	3%	0.027	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.1	164.7	-74	101.1	0	0	0	109.8	L12 C14 M41 G42 F71 L73 C88	L12-W29 HydrophobicContact CB-CH2 3.65Å; L12-W29 HydrophobicContact CB-CZ2 4.38Å; L12-W29 HydrophobicContact CB-CZ3 3.91Å; L12-W29 HydrophobicContact CD1-CZ3 4.17Å; C14-W29 HydrophobicContact CB-CH2 3.94Å; C14-W29 HydrophobicContact CB-CZ2 3.98Å; W29-M41 HydrophobicContact CB-CB 4.19Å; W29-M41 PolarHBondContact O-N 2.73Å; W29-G42 PolarHBondContact N-O 2.68Å; W29-F71 HydrophobicContact CD2-CE2 4.41Å; W29-F71 AromaticContact CE2-CD2 3.79Å; W29-F71 AromaticContact CE2-CE2 3.71Å; W29-F71 AromaticContact CZ2-CD2 3.97Å; W29-F71 HydrophobicContact CZ2-CD2 3.97Å; W29-F71 AromaticContact CZ2-CE2 3.97Å; W29-F71 HydrophobicContact CZ2-CE2 3.97Å; W29-F71 AromaticContact NE1-CD2 3.37Å; W29-F71 AromaticContact NE1-CE2 3.57Å; W29-L73 HydrophobicContact CB-CD2 4.09Å; W29-L73 HydrophobicContact CD2-CB 3.59Å; W29-L73 HydrophobicContact CD2-CD2 3.88Å; W29-L73 HydrophobicContact CD2-CG 4.33Å; W29-L73 HydrophobicContact CE3-CB 4.17Å; W29-L73 HydrophobicContact CE3-CD2 3.96Å; W29-L73 HydrophobicContact CG-CB 3.87Å; W29-L73 HydrophobicContact CG-CD1 4.49Å; W29-L73 HydrophobicContact CG-CD2 3.95Å; W29-L73 HydrophobicContact CG-CG 4.34Å; W29-L73 HydrophobicContact CH2-CB 4.35Å; W29-L73 HydrophobicContact CZ2-CB 3.81Å; W29-C88 HydrophobicContact CZ3-CB 4.5Å
30	I	97.4	Very high	94.5	Very high	42 Å²	42	52.9 Å²	52.9	22%	0.215	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	137.3	179.8	-59.1	163.1	0	0	0	106.9	L38 E39 Y87 A89	I30-L38 HydrophobicContact CG2-CB 4.3Å; I30-L38 HydrophobicContact CG2-CD2 3.97Å; I30-E39 WeakPolarHBondContact CA-O 3.09Å; I30-Y87 PolarHBondContact N-O 2.83Å; I30-Y87 PolarHBondContact O-N 3.05Å; I30-A89 HydrophobicContact CD1-CB 3.88Å
31	R	96.3	Very high	94.7	Very high	13 Å²	13	50.5 Å²	50.5	5%	0.049	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140.8	170.2	65.7	-178	178.6	171.6	9.1	110.6	F33 E39 M41 D82 A84 T85 Y86	R31-F33 HydrophobicContact CG-CE2 4.27Å; R31-F33 HydrophobicContact CG-CZ 4.13Å; R31-E39 HydrophobicContact CG-CB 4.06Å; R31-E39 IonicContact CZ-OE2 3.88Å; R31-E39 PolarHBondContact N-O 2.94Å; R31-E39 IonicContact NE-OE2 3.55Å; R31-E39 PolarHBondContact NE-OE2 2.96Å; R31-E39 IonicContact NH2-OE2 2.68Å; R31-E39 PolarHBondContact NH2-OE2 3.26Å; R31-E39 PolarHBondContact O-N 2.05Å; R31-M41 HydrophobicContact CB-CG 4.46Å; R31-M41 HydrophobicContact CB-SD 3.94Å; R31-M41 HydrophobicContact CG-CG 4.06Å; R31-M41 HydrophobicContact CG-SD 4Å; R31-D82 IonicContact CZ-OD1 3.06Å; R31-D82 IonicContact NH1-OD1 2.68Å; R31-D82 PolarHBondContact NH1-OD1 3.47Å; R31-D82 IonicContact NH2-OD1 2.66Å; R31-A84 HydrophobicContact CB-CB 3.84Å; R31-A84 HydrophobicContact CG-CB 4.38Å; R31-T85 CarbonylContact C-O 3.58Å; R31-T85 WeakPolarHBondContact CA-O 3.37Å; R31-Y86 HydrophobicContact CB-CD1 3.88Å; R31-Y86 HydrophobicContact CB-CE1 3.84Å; R31-Y86 HydrophobicContact CB-CG 4.4Å
32	Q	97.1	Very high	95	Very high	42 Å²	42	50.5 Å²	50.5	20%	0.196	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.8	178	-170.5	179.2	36.4	0	0	109.5	N36 K37 L38 A84 T85 Y87	Q32-N36 PolarHBondContact NE2-OD1 3.1Å; Q32-K37 WeakPolarHBondContact CA-O 3.44Å; Q32-L38 HydrophobicContact CB-CD2 3.64Å; Q32-L38 HydrophobicContact CG-CD2 3.67Å; Q32-A84 CarbonylContact O-C 3.48Å; Q32-A84 WeakPolarHBondContact O-CA 3.43Å; Q32-A84 VanDerWaalsContact O-CB 3.28Å; Q32-A84 WeakPolarHBondContact O-CB 3.44Å; Q32-T85 PolarHBondContact N-O 2.81Å; Q32-T85 PolarHBondContact O-N 3.43Å; Q32-Y87 HydrophobicContact CB-CD2 4.18Å; Q32-Y87 HydrophobicContact CB-CE2 3.64Å; Q32-Y87 PolarHBondContact OE1-OH 3.11Å
33	F	95.3	Very high	95.1	Very high	39 Å²	39	50.2 Å²	50.2	17%	0.171	28%	0.277	C	S	.	.			trans	-81	159.7	176	-63.3	-71.1	0	0	0	111.6	R31 G35 N36 K37 E39 E81 A84	R31-F33 HydrophobicContact CG-CE2 4.27Å; R31-F33 HydrophobicContact CG-CZ 4.13Å; F33-G35 PolarHBondContact O-N 3.3Å; F33-N36 PolarHBondContact O-N 2.9Å; F33-N36 VanDerWaalsContact O-N 3.08Å; F33-K37 HydrophobicContact CB-CB 4.43Å; F33-K37 HydrophobicContact CD2-CB 4.44Å; F33-K37 HydrophobicContact CD2-CG 4.44Å; F33-K37 PolarHBondContact N-O 2.86Å; F33-E39 HydrophobicContact CE2-CB 3.89Å; F33-E81 WeakPolarHBondContact CE1-O 3.22Å; F33-A84 HydrophobicContact CD1-CB 3.92Å; F33-A84 HydrophobicContact CE1-CB 4.03Å
34	P	92.8	Very high	95.5	Very high	114 Å²	114	48.4 Å²	48.4	74%	0.74	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	133	162.7	-25.1	34.7	0	0	0	110.6
35	G	93.1	Very high	95.8	Very high	76 Å²	76	48.9 Å²	48.9	78%	0.784	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	14.2	-172.1	0	0	0	0	0	115	F33 K37	F33-G35 PolarHBondContact O-N 3.3Å; G35-K37 PolarHBondContact O-N 2.95Å
36	N	90.3	Very high	95.8	Very high	127 Å²	127	52.7 Å²	52.7	68%	0.679	27%	0.272	S	S	*	.	S	Bend	trans	65	15	172.6	-60.3	-49.7	0	0	0	115.9	Q32 F33 L38	Q32-N36 PolarHBondContact NE2-OD1 3.1Å; F33-N36 PolarHBondContact O-N 2.9Å; F33-N36 VanDerWaalsContact O-N 3.08Å; N36-L38 PolarHBondContact O-N 3.06Å
37	K	94.3	Very high	95.8	Very high	144 Å²	144	55.7 Å²	55.7	63%	0.626	29%	0.293	S	S	*	.			trans	-72	121.7	173	-177.3	-179.5	177	-175.1	0	109.7	Q32 F33 G35	Q32-K37 WeakPolarHBondContact CA-O 3.44Å; F33-K37 HydrophobicContact CB-CB 4.43Å; F33-K37 HydrophobicContact CD2-CB 4.44Å; F33-K37 HydrophobicContact CD2-CG 4.44Å; F33-K37 PolarHBondContact N-O 2.86Å; G35-K37 PolarHBondContact O-N 2.95Å
38	L	95.6	Very high	95.7	Very high	109 Å²	109	56.6 Å²	56.6	57%	0.571	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	139.8	175.5	-64	172.4	0	0	0	110.6	I30 Q32 N36	I30-L38 HydrophobicContact CG2-CB 4.3Å; I30-L38 HydrophobicContact CG2-CD2 3.97Å; Q32-L38 HydrophobicContact CB-CD2 3.64Å; Q32-L38 HydrophobicContact CG-CD2 3.67Å; N36-L38 PolarHBondContact O-N 3.06Å
39	E	96.7	Very high	95.6	Very high	44 Å²	44	57.8 Å²	57.8	21%	0.206	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	122.3	169.9	-176.1	174.8	-133	0	0	109.9	I30 R31 F33	I30-E39 WeakPolarHBondContact CA-O 3.09Å; R31-E39 HydrophobicContact CG-CB 4.06Å; R31-E39 IonicContact CZ-OE2 3.88Å; R31-E39 PolarHBondContact N-O 2.94Å; R31-E39 IonicContact NE-OE2 3.55Å; R31-E39 PolarHBondContact NE-OE2 2.96Å; R31-E39 IonicContact NH2-OE2 2.68Å; R31-E39 PolarHBondContact NH2-OE2 3.26Å; R31-E39 PolarHBondContact O-N 2.05Å; F33-E39 HydrophobicContact CE2-CB 3.89Å
40	W	97.3	Very high	95.5	Very high	82 Å²	82	60.2 Å²	60.2	31%	0.311	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	130.8	171.3	174.4	72	0	0	0	109.6	H28 G42 Y43 N51 N53	H28-W40 AromaticContact ND1-CD1 3.84Å; H28-W40 AromaticContact ND1-NE1 3.28Å; H28-W40 PolarHBondContact ND1-NE1 3.19Å; W40-G42 VanDerWaalsContact CE2-CA 3.43Å; W40-G42 VanDerWaalsContact CZ2-C 3.41Å; W40-G42 VanDerWaalsContact NE1-C 3.3Å; W40-G42 PolarHBondContact NE1-O 3.4Å; W40-Y43 HydrophobicContact CH2-CD1 4.46Å; W40-Y43 AromaticContact CZ2-CD1 3.58Å; W40-Y43 HydrophobicContact CZ2-CD1 3.58Å; W40-Y43 HydrophobicContact CZ2-CE1 4.28Å; W40-Y43 HydrophobicContact CZ2-CG 4.44Å; W40-N51 HydrophobicContact CH2-CB 4.32Å; W40-N53 HydrophobicContact CE3-CB 3.94Å; W40-N53 HydrophobicContact CZ3-CB 3.99Å; W40-N53 VanDerWaalsContact O-CB 3.31Å; W40-N53 WeakPolarHBondContact O-CB 3.42Å; W40-N53 PolarHBondContact O-ND2 2.85Å
41	M	97.4	Very high	95.5	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-41.9	-177.8	-58.6	-177.4	70.1	0	0	111.9	W29 R31 N53 L56 I60 L73 Y86	W29-M41 HydrophobicContact CB-CB 4.19Å; W29-M41 PolarHBondContact O-N 2.73Å; R31-M41 HydrophobicContact CB-CG 4.46Å; R31-M41 HydrophobicContact CB-SD 3.94Å; R31-M41 HydrophobicContact CG-CG 4.06Å; R31-M41 HydrophobicContact CG-SD 4Å; M41-N53 WeakPolarHBondContact O-CB 3.43Å; M41-N53 PolarHBondContact O-N 3.28Å; M41-L56 HydrophobicContact CB-CD1 4.09Å; M41-L56 HydrophobicContact CE-CD1 4.19Å; M41-L56 HydrophobicContact CG-CD1 3.9Å; M41-I60 HydrophobicContact CB-CD1 4.22Å; M41-I60 HydrophobicContact CE-CG2 3.93Å; M41-I60 WeakPolarHBondContact O-CD1 3.01Å; M41-L73 HydrophobicContact CE-CD1 4.3Å; M41-L73 HydrophobicContact CE-CD2 3.69Å; M41-L73 HydrophobicContact SD-CD2 3.71Å; M41-Y86 HydrophobicContact CE-CD1 4.48Å; M41-Y86 HydrophobicContact CE-CE1 3.85Å; M41-Y86 HydrophobicContact SD-CD1 3.71Å; M41-Y86 HydrophobicContact SD-CE1 3.55Å; M41-Y86 VanDerWaalsContact SD-CE1 3.55Å
42	G	97.6	Very high	95.6	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.1	175.5	-174.1	0	0	0	0	0	111.8	H28 W29 W40 N51 I62	H28-G42 WeakPolarHBondContact CA-O 3.45Å; W29-G42 PolarHBondContact N-O 2.68Å; W40-G42 VanDerWaalsContact CE2-CA 3.43Å; W40-G42 VanDerWaalsContact CZ2-C 3.41Å; W40-G42 VanDerWaalsContact NE1-C 3.3Å; W40-G42 PolarHBondContact NE1-O 3.4Å; G42-N51 CarbonylContact C-O 3.52Å; G42-N51 WeakPolarHBondContact CA-O 3.18Å; G42-I62 VanDerWaalsContact C-CD1 3.46Å
43	Y	97.4	Very high	95.6	Very high	60 Å²	60	62.5 Å²	62.5	24%	0.235	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160.8	168.9	74.5	-105.1	0	0	0	111.9	W27 H28 W40 H45 T50 N51	W27-Y43 CarbonylContact O-C 3.54Å; W27-Y43 WeakPolarHBondContact O-CA 3.37Å; W27-Y43 WeakPolarHBondContact O-CB 3.38Å; H28-Y43 AromaticContact CE1-CD1 3.77Å; H28-Y43 AromaticContact CE1-CG 3.9Å; W40-Y43 HydrophobicContact CH2-CD1 4.46Å; W40-Y43 AromaticContact CZ2-CD1 3.58Å; W40-Y43 HydrophobicContact CZ2-CD1 3.58Å; W40-Y43 HydrophobicContact CZ2-CE1 4.28Å; W40-Y43 HydrophobicContact CZ2-CG 4.44Å; Y43-H45 HydrophobicContact CD2-CB 4.45Å; Y43-H45 HydrophobicContact CE2-CB 4.11Å; Y43-T50 VanDerWaalsContact O-CA 3.31Å; Y43-T50 WeakPolarHBondContact O-CA 3.42Å; Y43-N51 HydrophobicContact CD1-CB 3.94Å; Y43-N51 HydrophobicContact CE1-CB 3.37Å; Y43-N51 HydrophobicContact CE2-CB 4.26Å; Y43-N51 PolarHBondContact N-O 2.96Å; Y43-N51 PolarHBondContact O-N 2.82Å
44	I	97.4	Very high	95.6	Very high	6 Å²	6	65.9 Å²	65.9	3%	0.031	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.2	163.4	-170.6	162.8	0	0	0	109.7	W27 S49 T50 I62 R64 F71	W27-I44 HydrophobicContact CB-CG2 4.08Å; W27-I44 PolarHBondContact N-O 2.91Å; W27-I44 PolarHBondContact O-N 2.66Å; I44-S49 WeakPolarHBondContact CA-O 3.34Å; I44-T50 HydrophobicContact CB-CG2 3.99Å; I44-T50 HydrophobicContact CD1-CG2 3.89Å; I44-T50 HydrophobicContact CG1-CG2 3.78Å; I44-I62 HydrophobicContact CB-CG2 3.72Å; I44-I62 HydrophobicContact CG2-CG2 3.71Å; I44-R64 HydrophobicContact CD1-CB 4.17Å; I44-R64 HydrophobicContact CD1-CG 3.85Å; I44-F71 HydrophobicContact CG2-CB 4.3Å
45	H	96	Very high	95.6	Very high	42 Å²	42	65 Å²	65	19%	0.194	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	160	179.3	-172.4	-121.7	0	0	0	110.9	S26 Y43 S47 G48 S49 R64	S26-H45 PolarHBondContact OG-CD2 2.91Å; Y43-H45 HydrophobicContact CD2-CB 4.45Å; Y43-H45 HydrophobicContact CE2-CB 4.11Å; H45-S47 PolarHBondContact ND1-N 3.34Å; H45-S47 PolarHBondContact ND1-OG 3.26Å; H45-S47 PolarHBondContact O-N 2.83Å; H45-S47 VanDerWaalsContact O-N 3.11Å; H45-G48 WeakPolarHBondContact O-CA 3.32Å; H45-G48 PolarHBondContact O-N 2.87Å; H45-S49 VanDerWaalsContact CB-OG 3.28Å; H45-S49 WeakPolarHBondContact CB-OG 3.11Å; H45-S49 PolarHBondContact N-O 2.95Å; H45-R64 PolarHBondContact O-NH1 3.07Å
46	Y	93.7	Very high	95.6	Very high	101 Å²	101	61.5 Å²	61.5	40%	0.396	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.6	176.4	79.5	-91.6	0	0	0	113.2	G24 Y25 G48 R64	G24-Y46 VanDerWaalsContact CA-CG 3.5Å; Y25-Y46 WeakPolarHBondContact O-CB 3.09Å; Y25-Y46 PolarHBondContact O-N 3.05Å; Y46-G48 VanDerWaalsContact C-N 3.29Å; Y46-R64 VanDerWaalsContact CA-NH1 3.35Å; Y46-R64 PolarHBondContact O-NH1 2.81Å; Y46-R64 PolarHBondContact O-NH2 3.18Å
47	S	94.2	Very high	95.8	Very high	75 Å²	75	61.9 Å²	61.9	52%	0.524	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.9	174.3	65.7	0	0	0	0	113.6	H45 S49 R64	H45-S47 PolarHBondContact ND1-N 3.34Å; H45-S47 PolarHBondContact ND1-OG 3.26Å; H45-S47 PolarHBondContact O-N 2.83Å; H45-S47 VanDerWaalsContact O-N 3.11Å; S47-S49 PolarHBondContact OG-OG 3Å; S47-R64 PolarHBondContact O-NH2 3.07Å
48	G	94	Very high	95.8	Very high	30 Å²	30	60.4 Å²	60.4	31%	0.309	34%	0.335	S	S	.	.	S	Bend	trans	100.5	-2.3	178.8	0	0	0	0	0	113.6	H45 Y46	H45-G48 WeakPolarHBondContact O-CA 3.32Å; H45-G48 PolarHBondContact O-N 2.87Å; Y46-G48 VanDerWaalsContact C-N 3.29Å
49	S	95.5	Very high	95.8	Very high	61 Å²	61	57.8 Å²	57.8	43%	0.427	32%	0.318	S	S	.	.			trans	-64.4	138.4	170.2	55.7	0	0	0	0	110.4	I44 H45 S47	I44-S49 WeakPolarHBondContact CA-O 3.34Å; H45-S49 VanDerWaalsContact CB-OG 3.28Å; H45-S49 WeakPolarHBondContact CB-OG 3.11Å; H45-S49 PolarHBondContact N-O 2.95Å; S47-S49 PolarHBondContact OG-OG 3Å
50	T	97.2	Very high	95.8	Very high	58 Å²	58	56.2 Å²	56.2	36%	0.356	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	147.8	178.6	50.5	0	0	0	0	110.5	Y43 I44 Y52	Y43-T50 VanDerWaalsContact O-CA 3.31Å; Y43-T50 WeakPolarHBondContact O-CA 3.42Å; I44-T50 HydrophobicContact CB-CG2 3.99Å; I44-T50 HydrophobicContact CD1-CG2 3.89Å; I44-T50 HydrophobicContact CG1-CG2 3.78Å; T50-Y52 PolarHBondContact OG1-OH 3.28Å
51	N	97.1	Very high	95.7	Very high	76 Å²	76	54.6 Å²	54.6	41%	0.406	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147.5	167.4	-159.3	-55.9	0	0	0	108.6	W40 G42 Y43	W40-N51 HydrophobicContact CH2-CB 4.32Å; G42-N51 CarbonylContact C-O 3.52Å; G42-N51 WeakPolarHBondContact CA-O 3.18Å; Y43-N51 HydrophobicContact CD1-CB 3.94Å; Y43-N51 HydrophobicContact CE1-CB 3.37Å; Y43-N51 HydrophobicContact CE2-CB 4.26Å; Y43-N51 PolarHBondContact N-O 2.96Å; Y43-N51 PolarHBondContact O-N 2.82Å
52	Y	97.6	Very high	95.8	Very high	42 Å²	42	54.9 Å²	54.9	17%	0.165	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.3	-172.2	-58.5	-74.3	0	0	0	109.5	T50 P54 K57 I60 I62	T50-Y52 PolarHBondContact OG1-OH 3.28Å; Y52-P54 WeakPolarHBondContact O-CD 3.39Å; Y52-K57 HydrophobicContact CD2-CG 4.17Å; Y52-K57 HydrophobicContact CG-CG 4.31Å; Y52-I60 HydrophobicContact CD1-CD1 3.58Å; Y52-I60 HydrophobicContact CD1-CG1 3.59Å; Y52-I60 HydrophobicContact CE1-CD1 4.4Å; Y52-I60 HydrophobicContact CE1-CG1 4.11Å; Y52-I60 HydrophobicContact CG-CD1 4.37Å; Y52-I60 HydrophobicContact CG-CG1 4.38Å; Y52-I62 HydrophobicContact CD1-CD1 4.11Å; Y52-I62 HydrophobicContact CD1-CG1 4.47Å; Y52-I62 HydrophobicContact CE1-CB 4.08Å; Y52-I62 HydrophobicContact CE1-CD1 3.93Å; Y52-I62 HydrophobicContact CE1-CG1 3.87Å; Y52-I62 PolarHBondContact OH-N 2.82Å
53	N	96.6	Very high	95.7	Very high	26 Å²	26	58.3 Å²	58.3	14%	0.139	33%	0.334	C	S	.	.			trans	-59.7	124.4	165.3	-177.5	-27.8	0	0	0	108.7	W40 M41 S55 L56 K57	W40-N53 HydrophobicContact CE3-CB 3.94Å; W40-N53 HydrophobicContact CZ3-CB 3.99Å; W40-N53 VanDerWaalsContact O-CB 3.31Å; W40-N53 WeakPolarHBondContact O-CB 3.42Å; W40-N53 PolarHBondContact O-ND2 2.85Å; M41-N53 WeakPolarHBondContact O-CB 3.43Å; M41-N53 PolarHBondContact O-N 3.28Å; N53-S55 PolarHBondContact O-N 3.04Å; N53-S55 VanDerWaalsContact O-N 3.1Å; N53-S55 PolarHBondContact OD1-N 3.02Å; N53-L56 HydrophobicContact CB-CB 4.43Å; N53-L56 HydrophobicContact CB-CD1 4.38Å; N53-L56 PolarHBondContact O-N 2.83Å; N53-K57 PolarHBondContact O-N 3.03Å
54	P	95.8	Very high	95.6	Very high	111 Å²	111	58.4 Å²	58.4	72%	0.721	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-36.9	-178.8	-29.3	35.8	0	0	0	113.8	Y52 L56	Y52-P54 WeakPolarHBondContact O-CD 3.39Å; P54-L56 PolarHBondContact O-N 2.95Å
55	S	92.8	Very high	95.5	Very high	94 Å²	94	60.1 Å²	60.1	66%	0.657	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.5	180	-59.5	0	0	0	0	114	N53	N53-S55 PolarHBondContact O-N 3.04Å; N53-S55 VanDerWaalsContact O-N 3.1Å; N53-S55 PolarHBondContact OD1-N 3.02Å
56	L	94.1	Very high	95.5	Very high	3 Å²	3	62 Å²	62	2%	0.016	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-13.1	-176.4	-63.7	173.5	0	0	0	113.2	M41 N53 P54 S58 R59 I60	M41-L56 HydrophobicContact CB-CD1 4.09Å; M41-L56 HydrophobicContact CE-CD1 4.19Å; M41-L56 HydrophobicContact CG-CD1 3.9Å; N53-L56 HydrophobicContact CB-CB 4.43Å; N53-L56 HydrophobicContact CB-CD1 4.38Å; N53-L56 PolarHBondContact O-N 2.83Å; P54-L56 PolarHBondContact O-N 2.95Å; L56-S58 PolarHBondContact O-N 3.15Å; L56-R59 PolarHBondContact O-N 3.06Å; L56-I60 HydrophobicContact CB-CD1 3.82Å; L56-I60 HydrophobicContact CB-CG1 4.22Å; L56-I60 HydrophobicContact CB-CG2 4.09Å; L56-I60 WeakPolarHBondContact O-CG1 3.24Å; L56-I60 PolarHBondContact O-N 2.84Å
57	K	93.6	Very high	95.5	Very high	136 Å²	136	62.1 Å²	62.1	59%	0.591	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-31.2	-171	-174.2	175.4	-178.6	-177.6	0	114.7	Y52 N53	Y52-K57 HydrophobicContact CD2-CG 4.17Å; Y52-K57 HydrophobicContact CG-CG 4.31Å; N53-K57 PolarHBondContact O-N 3.03Å
58	S	94.6	Very high	95.6	Very high	113 Å²	113	64.6 Å²	64.6	79%	0.79	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-19.9	178	58.4	0	0	0	0	113.9	L56	L56-S58 PolarHBondContact O-N 3.15Å
59	R	95.1	Very high	95.7	Very high	54 Å²	54	64.7 Å²	64.7	20%	0.204	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-21.9	-174.1	-57	-162.1	-63.1	134.8	-0.1	113.5	L56 L75 N76 S77 D82	L56-R59 PolarHBondContact O-N 3.06Å; R59-L75 HydrophobicContact CB-CD1 3.96Å; R59-N76 PolarHBondContact O-N 2.93Å; R59-S77 PolarHBondContact NH1-O 2.91Å; R59-D82 IonicContact CZ-OD1 3.52Å; R59-D82 IonicContact CZ-OD2 2.73Å; R59-D82 IonicContact NH1-OD1 3.72Å; R59-D82 IonicContact NH1-OD2 2.81Å; R59-D82 PolarHBondContact NH1-OD2 3.48Å; R59-D82 IonicContact NH2-OD1 3.64Å; R59-D82 PolarHBondContact NH2-OD1 2.52Å; R59-D82 IonicContact NH2-OD2 3.61Å
60	I	96.2	Very high	95.8	Very high	11 Å²	11	63.7 Å²	63.7	6%	0.056	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	148.4	-175.4	69.9	178.9	0	0	0	113.2	M41 Y52 L56 L73 Q74 L75	M41-I60 HydrophobicContact CB-CD1 4.22Å; M41-I60 HydrophobicContact CE-CG2 3.93Å; M41-I60 WeakPolarHBondContact O-CD1 3.01Å; Y52-I60 HydrophobicContact CD1-CD1 3.58Å; Y52-I60 HydrophobicContact CD1-CG1 3.59Å; Y52-I60 HydrophobicContact CE1-CD1 4.4Å; Y52-I60 HydrophobicContact CE1-CG1 4.11Å; Y52-I60 HydrophobicContact CG-CD1 4.37Å; Y52-I60 HydrophobicContact CG-CG1 4.38Å; L56-I60 HydrophobicContact CB-CD1 3.82Å; L56-I60 HydrophobicContact CB-CG1 4.22Å; L56-I60 HydrophobicContact CB-CG2 4.09Å; L56-I60 WeakPolarHBondContact O-CG1 3.24Å; L56-I60 PolarHBondContact O-N 2.84Å; I60-L73 HydrophobicContact CB-CD1 4.02Å; I60-L73 HydrophobicContact CG2-CD1 4.26Å; I60-Q74 CarbonylContact C-O 3.58Å; I60-Q74 WeakPolarHBondContact CA-O 3.31Å; I60-L75 HydrophobicContact CG2-CB 4.41Å; I60-L75 HydrophobicContact CG2-CD1 3.54Å
61	S	97	Very high	95.7	Very high	48 Å²	48	61 Å²	61	34%	0.336	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	132.6	168.6	179.4	0	0	0	0	109.1	Q74	S61-Q74 PolarHBondContact N-O 3.37Å; S61-Q74 PolarHBondContact O-N 2.82Å
62	I	97.6	Very high	95.7	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.5	177.8	-61.7	167.2	0	0	0	108.1	G42 I44 Y52 F72 L73	G42-I62 VanDerWaalsContact C-CD1 3.46Å; I44-I62 HydrophobicContact CB-CG2 3.72Å; I44-I62 HydrophobicContact CG2-CG2 3.71Å; Y52-I62 HydrophobicContact CD1-CD1 4.11Å; Y52-I62 HydrophobicContact CD1-CG1 4.47Å; Y52-I62 HydrophobicContact CE1-CB 4.08Å; Y52-I62 HydrophobicContact CE1-CD1 3.93Å; Y52-I62 HydrophobicContact CE1-CG1 3.87Å; Y52-I62 PolarHBondContact OH-N 2.82Å; I62-F72 WeakPolarHBondContact CA-O 3.28Å; I62-L73 HydrophobicContact CG1-CD1 3.92Å
63	T	96.8	Very high	95.7	Very high	72 Å²	72	57.4 Å²	57.4	44%	0.442	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	172.9	-178.4	64.3	0	0	0	0	110.6	F71 F72	T63-F71 CarbonylContact O-C 3.56Å; T63-F71 WeakPolarHBondContact O-CA 3.33Å; T63-F71 WeakPolarHBondContact O-CB 3.21Å; T63-F72 PolarHBondContact N-O 3.49Å; T63-F72 VanDerWaalsContact N-O 3.11Å; T63-F72 PolarHBondContact O-N 3.4Å
64	R	95.6	Very high	95.7	Very high	63 Å²	63	58.9 Å²	58.9	24%	0.238	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	153.5	176.7	67.6	-177.8	170.3	170.8	5.9	113.1	I21 I44 H45 Y46 S47 T66 Q70 F71	I21-R64 HydrophobicContact CD1-CB 3.94Å; I21-R64 HydrophobicContact CD1-CG 4.47Å; I44-R64 HydrophobicContact CD1-CB 4.17Å; I44-R64 HydrophobicContact CD1-CG 3.85Å; H45-R64 PolarHBondContact O-NH1 3.07Å; Y46-R64 VanDerWaalsContact CA-NH1 3.35Å; Y46-R64 PolarHBondContact O-NH1 2.81Å; Y46-R64 PolarHBondContact O-NH2 3.18Å; S47-R64 PolarHBondContact O-NH2 3.07Å; R64-T66 HydrophobicContact CG-CG2 4.44Å; R64-Q70 WeakPolarHBondContact CA-O 3.4Å; R64-Q70 WeakPolarHBondContact CB-O 3.34Å; R64-F71 HydrophobicContact CB-CB 3.97Å
65	D	95.6	Very high	95.7	Very high	41 Å²	41	53.6 Å²	53.6	22%	0.219	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	103	169.8	-176.1	-16.4	0	0	0	107.9	S67 K68 N69 Q70 F72	D65-S67 VanDerWaalsContact C-N 3.27Å; D65-S67 PolarHBondContact O-N 2.9Å; D65-S67 WeakPolarHBondContact OD1-CB 3.34Å; D65-S67 PolarHBondContact OD1-N 2.91Å; D65-S67 PolarHBondContact OD1-OG 3.3Å; D65-K68 HydrophobicContact CB-CB 4.35Å; D65-K68 PolarHBondContact O-N 2.91Å; D65-K68 PolarHBondContact OD1-N 3.11Å; D65-K68 WeakPolarHBondContact OD2-CD 3.29Å; D65-K68 VanDerWaalsContact OD2-CE 3.31Å; D65-K68 WeakPolarHBondContact OD2-CE 2.94Å; D65-K68 WeakPolarHBondContact OD2-CG 3.44Å; D65-K68 IonicContact OD2-NZ 3.71Å; D65-N69 PolarHBondContact O-N 2.84Å; D65-Q70 PolarHBondContact N-O 2.91Å; D65-Q70 PolarHBondContact O-N 2.83Å; D65-F72 HydrophobicContact CB-CE2 3.74Å; D65-F72 HydrophobicContact CB-CZ 4.19Å
66	T	94.5	Very high	95.7	Very high	82 Å²	82	52.1 Å²	52.1	50%	0.503	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.9	-179.2	54.5	0	0	0	0	112.5	I21 T22 R64 K68	I21-T66 HydrophobicContact CD1-CG2 4.16Å; I21-T66 HydrophobicContact CG1-CG2 4.34Å; T22-T66 HydrophobicContact CG2-CG2 3.44Å; T22-T66 VanDerWaalsContact CG2-CG2 3.44Å; R64-T66 HydrophobicContact CG-CG2 4.44Å; T66-K68 VanDerWaalsContact C-N 3.32Å
67	S	94.5	Very high	95.6	Very high	103 Å²	103	55.3 Å²	55.3	72%	0.72	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-31.8	176.4	75.9	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.27Å; D65-S67 PolarHBondContact O-N 2.9Å; D65-S67 WeakPolarHBondContact OD1-CB 3.34Å; D65-S67 PolarHBondContact OD1-N 2.91Å; D65-S67 PolarHBondContact OD1-OG 3.3Å
68	K	96	Very high	95.5	Very high	127 Å²	127	49.5 Å²	49.5	55%	0.552	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-1.8	178.6	-62.3	-177.4	-169	167.8	0	113.9	D65 T66 Q70	D65-K68 HydrophobicContact CB-CB 4.35Å; D65-K68 PolarHBondContact O-N 2.91Å; D65-K68 PolarHBondContact OD1-N 3.11Å; D65-K68 WeakPolarHBondContact OD2-CD 3.29Å; D65-K68 VanDerWaalsContact OD2-CE 3.31Å; D65-K68 WeakPolarHBondContact OD2-CE 2.94Å; D65-K68 WeakPolarHBondContact OD2-CG 3.44Å; D65-K68 IonicContact OD2-NZ 3.71Å; T66-K68 VanDerWaalsContact C-N 3.32Å; K68-Q70 VanDerWaalsContact C-N 3.26Å; K68-Q70 HydrophobicContact CB-CB 4.29Å; K68-Q70 HydrophobicContact CB-CG 4.15Å; K68-Q70 PolarHBondContact O-N 2.82Å
69	N	95.9	Very high	95.4	Very high	33 Å²	33	47 Å²	47	18%	0.176	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	42	-175.7	-156.3	42.2	0	0	0	112.8	V16 Y19 S20 I21 D65	V16-N69 PolarHBondContact N-O 3.28Å; V16-N69 PolarHBondContact O-ND2 3.35Å; Y19-N69 PolarHBondContact O-ND2 2.86Å; Y19-N69 PolarHBondContact O-OD1 3.16Å; S20-N69 WeakPolarHBondContact CA-OD1 3.45Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.41Å; I21-N69 PolarHBondContact N-OD1 2.87Å; D65-N69 PolarHBondContact O-N 2.84Å
70	Q	96.9	Very high	95.1	Very high	40 Å²	40	49.8 Å²	49.8	19%	0.187	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.4	-173.9	-78.7	171.5	-13	0	0	111.7	T13 C14 T15 I21 R64 D65 K68 F72	T13-Q70 HydrophobicContact CG2-CB 4.37Å; T13-Q70 HydrophobicContact CG2-CG 4.1Å; C14-Q70 WeakPolarHBondContact O-CA 3.35Å; T15-Q70 HydrophobicContact CG2-CG 4.05Å; T15-Q70 WeakPolarHBondContact OG1-CG 3.15Å; T15-Q70 PolarHBondContact OG1-NE2 2.83Å; I21-Q70 VanDerWaalsContact CD1-O 3.27Å; I21-Q70 WeakPolarHBondContact CD1-O 3.4Å; R64-Q70 WeakPolarHBondContact CA-O 3.4Å; R64-Q70 WeakPolarHBondContact CB-O 3.34Å; D65-Q70 PolarHBondContact N-O 2.91Å; D65-Q70 PolarHBondContact O-N 2.83Å; K68-Q70 VanDerWaalsContact C-N 3.26Å; K68-Q70 HydrophobicContact CB-CB 4.29Å; K68-Q70 HydrophobicContact CB-CG 4.15Å; K68-Q70 PolarHBondContact O-N 2.82Å; Q70-F72 HydrophobicContact CB-CE1 4.34Å; Q70-F72 HydrophobicContact CB-CE2 4.07Å; Q70-F72 HydrophobicContact CB-CZ 3.69Å
71	F	95.8	Very high	94.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152.3	166.2	64.5	-83.3	0	0	0	110.9	C14 V16 I21 W27 W29 I44 T63 R64 C88	C14-F71 HydrophobicContact CB-CD1 4.1Å; C14-F71 HydrophobicContact CB-CD2 4.23Å; C14-F71 HydrophobicContact CB-CE1 3.66Å; C14-F71 HydrophobicContact CB-CE2 3.79Å; C14-F71 HydrophobicContact CB-CG 4.39Å; C14-F71 HydrophobicContact CB-CZ 3.52Å; C14-F71 PolarHBondContact N-O 3.07Å; C14-F71 PolarHBondContact O-N 2.77Å; C14-F71 VanDerWaalsContact SG-CE1 3.59Å; C14-F71 VanDerWaalsContact SG-CZ 3.51Å; V16-F71 HydrophobicContact CG2-CD1 4.23Å; V16-F71 HydrophobicContact CG2-CE1 3.78Å; I21-F71 HydrophobicContact CG2-CD1 4.3Å; W27-F71 HydrophobicContact CB-CD1 4.03Å; W27-F71 HydrophobicContact CB-CD2 4.05Å; W27-F71 HydrophobicContact CB-CE1 3.79Å; W27-F71 HydrophobicContact CB-CE2 3.83Å; W27-F71 HydrophobicContact CB-CG 4.12Å; W27-F71 HydrophobicContact CB-CZ 3.65Å; W27-F71 HydrophobicContact CD2-CD1 4.3Å; W27-F71 AromaticContact CD2-CE1 3.82Å; W27-F71 HydrophobicContact CD2-CE1 3.82Å; W27-F71 HydrophobicContact CD2-CZ 4.32Å; W27-F71 HydrophobicContact CE3-CD1 4.48Å; W27-F71 AromaticContact CE3-CE1 3.59Å; W27-F71 HydrophobicContact CE3-CE1 3.59Å; W27-F71 AromaticContact CE3-CZ 3.96Å; W27-F71 HydrophobicContact CE3-CZ 3.96Å; W27-F71 HydrophobicContact CG-CD1 4.09Å; W27-F71 AromaticContact CG-CE1 3.91Å; W27-F71 HydrophobicContact CG-CE1 3.91Å; W27-F71 HydrophobicContact CG-CZ 4.23Å; W27-F71 HydrophobicContact CZ3-CE1 4.43Å; W29-F71 HydrophobicContact CD2-CE2 4.41Å; W29-F71 AromaticContact CE2-CD2 3.79Å; W29-F71 AromaticContact CE2-CE2 3.71Å; W29-F71 AromaticContact CZ2-CD2 3.97Å; W29-F71 HydrophobicContact CZ2-CD2 3.97Å; W29-F71 AromaticContact CZ2-CE2 3.97Å; W29-F71 HydrophobicContact CZ2-CE2 3.97Å; W29-F71 AromaticContact NE1-CD2 3.37Å; W29-F71 AromaticContact NE1-CE2 3.57Å; I44-F71 HydrophobicContact CG2-CB 4.3Å; T63-F71 CarbonylContact O-C 3.56Å; T63-F71 WeakPolarHBondContact O-CA 3.33Å; T63-F71 WeakPolarHBondContact O-CB 3.21Å; R64-F71 HydrophobicContact CB-CB 3.97Å; F71-C88 HydrophobicContact CE2-CB 3.84Å; F71-C88 HydrophobicContact CZ-CB 3.47Å; F71-C88 VanDerWaalsContact CZ-CB 3.47Å
72	F	97.1	Very high	94.5	Very high	42 Å²	42	54.4 Å²	54.4	18%	0.184	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.5	-165.3	-49.5	-89.1	0	0	0	110.6	L12 T13 I62 T63 D65 Q70	L12-F72 CarbonylContact O-C 3.52Å; L12-F72 WeakPolarHBondContact O-CA 3.42Å; T13-F72 HydrophobicContact CG2-CD1 3.83Å; T13-F72 HydrophobicContact CG2-CE1 3.46Å; T13-F72 VanDerWaalsContact CG2-CE1 3.46Å; T13-F72 HydrophobicContact CG2-CZ 4.35Å; T13-F72 VanDerWaalsContact OG1-CD1 3.26Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.28Å; T13-F72 WeakPolarHBondContact OG1-CE1 3.18Å; I62-F72 WeakPolarHBondContact CA-O 3.28Å; T63-F72 PolarHBondContact N-O 3.49Å; T63-F72 VanDerWaalsContact N-O 3.11Å; T63-F72 PolarHBondContact O-N 3.4Å; D65-F72 HydrophobicContact CB-CE2 3.74Å; D65-F72 HydrophobicContact CB-CZ 4.19Å; Q70-F72 HydrophobicContact CB-CE1 4.34Å; Q70-F72 HydrophobicContact CB-CE2 4.07Å; Q70-F72 HydrophobicContact CB-CZ 3.69Å
73	L	97.6	Very high	94.3	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.3	167.6	169.9	68.1	0	0	0	108.1	S11 L12 W29 M41 I60 I62 Y86	S11-L73 CarbonylContact C-O 3.57Å; S11-L73 WeakPolarHBondContact CA-O 3.49Å; L12-L73 HydrophobicContact CB-CB 4.37Å; L12-L73 HydrophobicContact CD1-CD2 4.19Å; L12-L73 PolarHBondContact N-O 2.86Å; L12-L73 PolarHBondContact O-N 3.35Å; W29-L73 HydrophobicContact CB-CD2 4.09Å; W29-L73 HydrophobicContact CD2-CB 3.59Å; W29-L73 HydrophobicContact CD2-CD2 3.88Å; W29-L73 HydrophobicContact CD2-CG 4.33Å; W29-L73 HydrophobicContact CE3-CB 4.17Å; W29-L73 HydrophobicContact CE3-CD2 3.96Å; W29-L73 HydrophobicContact CG-CB 3.87Å; W29-L73 HydrophobicContact CG-CD1 4.49Å; W29-L73 HydrophobicContact CG-CD2 3.95Å; W29-L73 HydrophobicContact CG-CG 4.34Å; W29-L73 HydrophobicContact CH2-CB 4.35Å; W29-L73 HydrophobicContact CZ2-CB 3.81Å; M41-L73 HydrophobicContact CE-CD1 4.3Å; M41-L73 HydrophobicContact CE-CD2 3.69Å; M41-L73 HydrophobicContact SD-CD2 3.71Å; I60-L73 HydrophobicContact CB-CD1 4.02Å; I60-L73 HydrophobicContact CG2-CD1 4.26Å; I62-L73 HydrophobicContact CG1-CD1 3.92Å; L73-Y86 HydrophobicContact CD2-CD1 4.1Å; L73-Y86 HydrophobicContact CD2-CE1 4.4Å
74	Q	96.3	Very high	94.2	Very high	57 Å²	57	56.5 Å²	56.5	27%	0.266	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.1	166.7	-167.9	66.8	48.4	0	0	108.3	L10 S11 I60 S61	L10-Q74 CarbonylContact O-C 3.45Å; L10-Q74 WeakPolarHBondContact O-CA 3.42Å; L10-Q74 PolarHBondContact O-NE2 3.17Å; S11-Q74 VanDerWaalsContact CB-OE1 3.23Å; S11-Q74 PolarHBondContact OG-OE1 2.73Å; I60-Q74 CarbonylContact C-O 3.58Å; I60-Q74 WeakPolarHBondContact CA-O 3.31Å; S61-Q74 PolarHBondContact N-O 3.37Å; S61-Q74 PolarHBondContact O-N 2.82Å
75	L	95.4	Very high	94.2	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119	171	172.2	63.8	0	0	0	108.3	S9 L10 R59 I60 V78 D82	S9-L75 CarbonylContact C-O 3.49Å; S9-L75 VanDerWaalsContact CA-O 3.24Å; S9-L75 WeakPolarHBondContact CA-O 3.28Å; L10-L75 HydrophobicContact CB-CB 4.4Å; L10-L75 PolarHBondContact N-O 3.33Å; L10-L75 PolarHBondContact O-N 2.89Å; R59-L75 HydrophobicContact CB-CD1 3.96Å; I60-L75 HydrophobicContact CG2-CB 4.41Å; I60-L75 HydrophobicContact CG2-CD1 3.54Å; L75-V78 HydrophobicContact CD2-CG1 3.55Å; L75-V78 HydrophobicContact CG-CG1 3.99Å; L75-D82 HydrophobicContact CD2-CB 3.98Å
76	N	94.2	Very high	94.2	Very high	62 Å²	62	57.3 Å²	57.3	33%	0.332	32%	0.321	S	S	.	.			trans	-94.7	150.8	-179.4	-63.5	-40.9	0	0	0	111.4	S9 R59	S9-N76 WeakPolarHBondContact CB-OD1 3.32Å; S9-N76 PolarHBondContact OG-OD1 2.74Å; R59-N76 PolarHBondContact O-N 2.93Å
77	S	91.4	Very high	94.3	Very high	71 Å²	71	58.2 Å²	58.2	50%	0.497	32%	0.316	S	S	.	.	S	Bend	trans	53.5	57.2	177.7	-53.8	0	0	0	0	111.6	Q8 R59	Q8-S77 PolarHBondContact O-N 3.36Å; R59-S77 PolarHBondContact NH1-O 2.91Å
78	V	92.1	Very high	94.3	Very high	13 Å²	13	56 Å²	56	8%	0.079	30%	0.3	C	S	.	.			trans	-61.6	137.9	180	-112.5	0	0	0	0	110.6	V4 P6 S7 Q8 L10 L75 D82	V4-V78 HydrophobicContact CG1-CG2 3.75Å; P6-V78 WeakPolarHBondContact CA-O 3.38Å; S7-V78 PolarHBondContact N-O 2.79Å; Q8-V78 WeakPolarHBondContact O-CG2 3.26Å; Q8-V78 PolarHBondContact O-N 3.08Å; L10-V78 HydrophobicContact CB-CG1 4.2Å; L10-V78 HydrophobicContact CB-CG2 4.36Å; L75-V78 HydrophobicContact CD2-CG1 3.55Å; L75-V78 HydrophobicContact CG-CG1 3.99Å; V78-D82 WeakPolarHBondContact CA-OD2 3.46Å; V78-D82 HydrophobicContact CG1-CB 3.8Å
79	T	91.5	Very high	94.3	Very high	60 Å²	60	51.7 Å²	51.7	37%	0.368	29%	0.288	S	S	.	.			trans	-117.2	173.2	174.6	70.9	0	0	0	0	110.6	E81 D82	T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 PolarHBondContact OG1-N 2.82Å; T79-D82 PolarHBondContact N-OD2 2.85Å; T79-D82 WeakPolarHBondContact O-CB 3.36Å; T79-D82 PolarHBondContact O-N 2.84Å; T79-D82 PolarHBondContact OG1-OD2 3.26Å
80	T	89.3	Confident	94.2	Very high	113 Å²	113	56.4 Å²	56.4	69%	0.693	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-60.1	-29.7	173.6	47.9	0	0	0	0	112.4	D82 T83	T80-D82 PolarHBondContact O-N 3.14Å; T80-T83 VanDerWaalsContact O-CB 3.28Å; T80-T83 WeakPolarHBondContact O-CB 3.45Å; T80-T83 PolarHBondContact O-N 3.49Å; T80-T83 VanDerWaalsContact O-N 3.16Å; T80-T83 PolarHBondContact O-OG1 3Å
81	E	89.3	Confident	94	Very high	150 Å²	150	57 Å²	57	70%	0.701	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-67.3	-17.4	175.8	-59.4	178.3	175.2	0	0	112.9	F33 T79 T83	F33-E81 WeakPolarHBondContact CE1-O 3.22Å; T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 PolarHBondContact OG1-N 2.82Å; E81-T83 PolarHBondContact O-N 3.23Å
82	D	91.5	Very high	93.1	Very high	6 Å²	6	68 Å²	68	3%	0.032	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-87	5	176.4	-60.3	-46.9	0	0	0	112.3	R31 R59 L75 V78 T79 T80 A84 Y86	R31-D82 IonicContact CZ-OD1 3.06Å; R31-D82 IonicContact NH1-OD1 2.68Å; R31-D82 PolarHBondContact NH1-OD1 3.47Å; R31-D82 IonicContact NH2-OD1 2.66Å; R59-D82 IonicContact CZ-OD1 3.52Å; R59-D82 IonicContact CZ-OD2 2.73Å; R59-D82 IonicContact NH1-OD1 3.72Å; R59-D82 IonicContact NH1-OD2 2.81Å; R59-D82 PolarHBondContact NH1-OD2 3.48Å; R59-D82 IonicContact NH2-OD1 3.64Å; R59-D82 PolarHBondContact NH2-OD1 2.52Å; R59-D82 IonicContact NH2-OD2 3.61Å; L75-D82 HydrophobicContact CD2-CB 3.98Å; V78-D82 WeakPolarHBondContact CA-OD2 3.46Å; V78-D82 HydrophobicContact CG1-CB 3.8Å; T79-D82 PolarHBondContact N-OD2 2.85Å; T79-D82 WeakPolarHBondContact O-CB 3.36Å; T79-D82 PolarHBondContact O-N 2.84Å; T79-D82 PolarHBondContact OG1-OD2 3.26Å; T80-D82 PolarHBondContact O-N 3.14Å; D82-A84 PolarHBondContact O-N 2.81Å; D82-A84 VanDerWaalsContact O-N 3.07Å; D82-Y86 PolarHBondContact O-OH 2.74Å
83	T	92.4	Very high	92.9	Very high	98 Å²	98	69.4 Å²	69.4	60%	0.601	36%	0.362	S	S	*	.			trans	-70	103.5	175.7	-53.5	0	0	0	0	110.1	T80 E81	T80-T83 VanDerWaalsContact O-CB 3.28Å; T80-T83 WeakPolarHBondContact O-CB 3.45Å; T80-T83 PolarHBondContact O-N 3.49Å; T80-T83 VanDerWaalsContact O-N 3.16Å; T80-T83 PolarHBondContact O-OG1 3Å; E81-T83 PolarHBondContact O-N 3.23Å
84	A	94.8	Very high	92.7	Very high	24 Å²	24	72.9 Å²	72.9	20%	0.198	38%	0.381	C	S	.	.	S	Bend	trans	-155.5	165	-175.7	0	0	0	0	0	110.6	R31 Q32 F33 D82 Y86	R31-A84 HydrophobicContact CB-CB 3.84Å; R31-A84 HydrophobicContact CG-CB 4.38Å; Q32-A84 CarbonylContact O-C 3.48Å; Q32-A84 WeakPolarHBondContact O-CA 3.43Å; Q32-A84 VanDerWaalsContact O-CB 3.28Å; Q32-A84 WeakPolarHBondContact O-CB 3.44Å; F33-A84 HydrophobicContact CD1-CB 3.92Å; F33-A84 HydrophobicContact CE1-CB 4.03Å; D82-A84 PolarHBondContact O-N 2.81Å; D82-A84 VanDerWaalsContact O-N 3.07Å; A84-Y86 HydrophobicContact CB-CE2 4.11Å; A84-Y86 VanDerWaalsContact O-CD2 3.27Å; A84-Y86 WeakPolarHBondContact O-CD2 3.32Å; A84-Y86 WeakPolarHBondContact O-CE2 3.44Å
85	T	95.5	Very high	92.5	Very high	76 Å²	76	73.8 Å²	73.8	47%	0.466	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	127.6	163.3	-53.1	0	0	0	0	109	R31 Q32 Y87	R31-T85 CarbonylContact C-O 3.58Å; R31-T85 WeakPolarHBondContact CA-O 3.37Å; Q32-T85 PolarHBondContact N-O 2.81Å; Q32-T85 PolarHBondContact O-N 3.43Å; T85-Y87 HydrophobicContact CG2-CD2 4.33Å; T85-Y87 HydrophobicContact CG2-CE1 4.05Å; T85-Y87 HydrophobicContact CG2-CE2 3.56Å; T85-Y87 VanDerWaalsContact CG2-CZ 3.4Å; T85-Y87 WeakPolarHBondContact CG2-OH 3.27Å
86	Y	96.1	Very high	92.3	Very high	44 Å²	44	78.1 Å²	78.1	17%	0.173	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.6	-178.1	-68.1	-99.9	0	0	0	110.1	L10 L12 R31 M41 L73 D82 A84	L10-Y86 HydrophobicContact CD2-CE2 4.13Å; L12-Y86 VanDerWaalsContact CD1-CB 3.47Å; L12-Y86 HydrophobicContact CD1-CD1 3.62Å; L12-Y86 HydrophobicContact CD1-CD2 4.02Å; L12-Y86 HydrophobicContact CD1-CE1 4.36Å; L12-Y86 HydrophobicContact CD1-CG 3.42Å; L12-Y86 VanDerWaalsContact CD1-CG 3.42Å; R31-Y86 HydrophobicContact CB-CD1 3.88Å; R31-Y86 HydrophobicContact CB-CE1 3.84Å; R31-Y86 HydrophobicContact CB-CG 4.4Å; M41-Y86 HydrophobicContact CE-CD1 4.48Å; M41-Y86 HydrophobicContact CE-CE1 3.85Å; M41-Y86 HydrophobicContact SD-CD1 3.71Å; M41-Y86 HydrophobicContact SD-CE1 3.55Å; M41-Y86 VanDerWaalsContact SD-CE1 3.55Å; L73-Y86 HydrophobicContact CD2-CD1 4.1Å; L73-Y86 HydrophobicContact CD2-CE1 4.4Å; D82-Y86 PolarHBondContact O-OH 2.74Å; A84-Y86 HydrophobicContact CB-CE2 4.11Å; A84-Y86 VanDerWaalsContact O-CD2 3.27Å; A84-Y86 WeakPolarHBondContact O-CD2 3.32Å; A84-Y86 WeakPolarHBondContact O-CE2 3.44Å
87	Y	96.6	Very high	92.2	Very high	102 Å²	102	79.1 Å²	79.1	40%	0.4	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.5	-177.9	-64.1	-80.5	0	0	0	110.3	I30 Q32 T85	I30-Y87 PolarHBondContact N-O 2.83Å; I30-Y87 PolarHBondContact O-N 3.05Å; Q32-Y87 HydrophobicContact CB-CD2 4.18Å; Q32-Y87 HydrophobicContact CB-CE2 3.64Å; Q32-Y87 PolarHBondContact OE1-OH 3.11Å; T85-Y87 HydrophobicContact CG2-CD2 4.33Å; T85-Y87 HydrophobicContact CG2-CE1 4.05Å; T85-Y87 HydrophobicContact CG2-CE2 3.56Å; T85-Y87 VanDerWaalsContact CG2-CZ 3.4Å; T85-Y87 WeakPolarHBondContact CG2-OH 3.27Å
88	C	95.5	Very high	92.2	Very high	56 Å²	56	79.7 Å²	79.7	38%	0.378	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	139.4	160.4	45.3	0	0	0	0	111	C14 H28 W29 F71	C14-C88 HydrophobicContact CB-CB 3.52Å; C14-C88 WeakPolarHBondContact CB-SG 3.31Å; C14-C88 WeakPolarHBondContact SG-CB 3.44Å; C14-C88 CovalentContact SG-SG 2.05Å; C14-C88 PolarHBondContact SG-SG 3.38Å; H28-C88 WeakPolarHBondContact O-CA 3.36Å; W29-C88 HydrophobicContact CZ3-CB 4.5Å; F71-C88 HydrophobicContact CE2-CB 3.84Å; F71-C88 HydrophobicContact CZ-CB 3.47Å; F71-C88 VanDerWaalsContact CZ-CB 3.47Å
89	A	95.5	Very high	92.2	Very high	36 Å²	36	84.4 Å²	84.4	30%	0.298	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	153.3	178.9	0	0	0	0	0	111.4	H28 I30	H28-A89 HydrophobicContact CB-CB 4.35Å; H28-A89 PolarHBondContact N-O 3.25Å; H28-A89 PolarHBondContact O-N 3.05Å; I30-A89 HydrophobicContact CD1-CB 3.88Å
90	R	94.4	Very high	92.3	Very high	132 Å²	132	86.3 Å²	86.3	50%	0.498	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130.3	177.6	-174.3	-178.4	66.4	176.8	-3.1	109.6	Y25 S26 W27	Y25-R90 HydrophobicContact CD1-CG 3.68Å; Y25-R90 HydrophobicContact CE1-CG 4.49Å; Y25-R90 HydrophobicContact CG-CG 3.92Å; S26-R90 WeakPolarHBondContact O-CA 3.19Å; W27-R90 HydrophobicContact CE3-CB 4Å; W27-R90 HydrophobicContact CE3-CG 4.15Å; W27-R90 HydrophobicContact CH2-CB 4.24Å; W27-R90 VanDerWaalsContact CH2-CD 3.5Å; W27-R90 HydrophobicContact CH2-CG 3.8Å; W27-R90 HydrophobicContact CZ2-CG 4.33Å; W27-R90 HydrophobicContact CZ3-CB 3.62Å; W27-R90 HydrophobicContact CZ3-CG 3.68Å
91	S	92.1	Very high	92.6	Very high	54 Å²	54	84.1 Å²	84.1	38%	0.378	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.4	169.3	-170.2	0	0	0	0	110.8	Y25 S26 H28	Y25-S91 WeakPolarHBondContact CA-O 3.36Å; Y25-S91 WeakPolarHBondContact CB-O 3.45Å; Y25-S91 WeakPolarHBondContact CD1-O 2.95Å; S26-S91 PolarHBondContact N-O 2.95Å; S26-S91 PolarHBondContact O-N 3.39Å; H28-S91 WeakPolarHBondContact NE2-CB 3.37Å
92	R	77	Confident	92.9	Very high	231 Å²	231	78.1 Å²	78.1	87%	0.872	39%	0.39	S	S	*	.			trans	-76	0	158.6	-76.1	-171.4	176.1	163	-0.2	110	Y25	Y25-R92 HydrophobicContact CD1-CG 3.69Å; Y25-R92 HydrophobicContact CE1-CG 3.34Å; Y25-R92 PolarHBondContact OH-NE 3.46Å; Y25-R92 PolarHBondContact OH-NH2 2.58Å

Retrieved 92 of 92 residues in 30.8 ms (Link to these results)

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