X5J5S1_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5S1, Species MOUSE (Mus musculus, Mouse), Gene Ighv7-3, Length 98 aa.

						>X5J5S1_MOUSE|X5J5S1|Ighv7-3
GGGVQPGGFRRLSCATSGFTFTDYYMSWVRQPPGKALEWLGFIRNKANGYTTEYSASGKGRFTISRDNSQSILYLQMNTLRAEDSATYYCASLWYYAM
					

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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	G	37.7	Very low	54	Low	134 Å²	134	114 Å²	114	100%	1.381	75%	0.753	S	S	*	*				0	111.1	0	0	0	0	0	0	108.2
2	G	35.7	Very low	57.2	Low	81 Å²	81	108.8 Å²	108.8	84%	0.835	71%	0.713	S	S	*	*			trans	-90.2	108.9	-176.5	0	0	0	0	0	110.9
3	G	38.8	Very low	60.2	Low	77 Å²	77	106.7 Å²	106.7	79%	0.794	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-66.7	132.6	174.4	0	0	0	0	0	111.5	Q5	G3-Q5 PolarHBondContact O-N 3.24Å
4	V	46.5	Very low	62.7	Low	120 Å²	120	100.1 Å²	100.1	73%	0.727	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-75.5	120.3	175.3	179.9	0	0	0	0	108.6	P6	V4-P6 WeakPolarHBondContact O-CD 3.35Å
5	Q	44.7	Very low	64.8	Low	174 Å²	174	98.7 Å²	98.7	81%	0.813	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-68.6	119.8	176.5	-158.1	164.7	7.6	0	0	110	G3	G3-Q5 PolarHBondContact O-N 3.24Å
6	P	50.7	Low	66.4	Low	127 Å²	127	94.3 Å²	94.3	83%	0.825	63%	0.628	S	S	*	*	S	Bend	trans	-87.8	115.1	-179.8	30.2	-24.4	0	0	0	109.4	V4	V4-P6 WeakPolarHBondContact O-CD 3.35Å
7	G	53.4	Low	67.8	Low	84 Å²	84	95.2 Å²	95.2	87%	0.866	64%	0.636	S	S	*	*			trans	143.5	34.8	176.2	0	0	0	0	0	115.7
8	G	56.1	Low	69	Low	35 Å²	35	94.8 Å²	94.8	36%	0.361	65%	0.651	S	S	.	*			trans	-120	135	175.3	0	0	0	0	0	111.3	R10	G8-R10 WeakPolarHBondContact O-CG 3.47Å; G8-R10 PolarHBondContact O-N 3.02Å; G8-R10 VanDerWaalsContact O-N 3.08Å
9	F	60.4	Low	70.1	Confident	152 Å²	152	92.5 Å²	92.5	67%	0.667	63%	0.629	S	S	*	*			trans	-50.5	113.1	159.8	-73.8	-80	0	0	0	108.6	N78	F9-N78 HydrophobicContact CD1-CB 4.31Å; F9-N78 HydrophobicContact CE1-CB 3.97Å
10	R	80.2	Confident	71.2	Confident	118 Å²	118	92.1 Å²	92.1	45%	0.445	62%	0.623	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.3	127.1	178.1	-72.3	-124.6	-162.8	-75.9	-2.1	109.1	G8 Q76 M77 L80	G8-R10 WeakPolarHBondContact O-CG 3.47Å; G8-R10 PolarHBondContact O-N 3.02Å; G8-R10 VanDerWaalsContact O-N 3.08Å; R10-Q76 PolarHBondContact O-NE2 3.29Å; R10-M77 HydrophobicContact CB-CE 3.69Å; R10-M77 PolarHBondContact N-O 3.34Å; R10-M77 WeakPolarHBondContact O-CB 3.5Å; R10-M77 PolarHBondContact O-N 3.21Å; R10-L80 HydrophobicContact CB-CD1 3.77Å; R10-L80 HydrophobicContact CG-CD1 3.56Å
11	R	89.6	Confident	72.2	Confident	152 Å²	152	88 Å²	88	57%	0.574	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.3	121.2	179.6	-175.3	176.5	-70	-174.9	-2	108.5	Y74 L75 Q76	R11-Y74 HydrophobicContact CG-CD1 3.9Å; R11-Y74 HydrophobicContact CG-CG 4.45Å; R11-L75 WeakPolarHBondContact CA-O 3.42Å; R11-Q76 VanDerWaalsContact NH2-OE1 3.09Å
12	L	92.9	Very high	74.9	Confident	52 Å²	52	83.4 Å²	83.4	27%	0.272	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	146.6	165.4	-55.8	178.6	0	0	0	108.8	W28 Y74 L75 M77 Y88	L12-W28 HydrophobicContact CB-CH2 3.85Å; L12-W28 HydrophobicContact CB-CZ2 4.36Å; L12-W28 HydrophobicContact CB-CZ3 4.38Å; L12-W28 HydrophobicContact CD1-CZ3 4.41Å; L12-Y74 CarbonylContact O-C 3.57Å; L12-Y74 VanDerWaalsContact O-CA 3.25Å; L12-Y74 WeakPolarHBondContact O-CA 3.25Å; L12-L75 HydrophobicContact CB-CB 4.23Å; L12-L75 HydrophobicContact CD1-CD2 4.25Å; L12-L75 PolarHBondContact N-O 3.18Å; L12-L75 PolarHBondContact O-N 2.79Å; L12-M77 HydrophobicContact CD1-CE 4.05Å; L12-M77 HydrophobicContact CD1-SD 4.19Å; L12-M77 HydrophobicContact CD2-CE 3.88Å; L12-M77 HydrophobicContact CG-CE 3.64Å; L12-M77 HydrophobicContact CG-SD 4.36Å; L12-Y88 HydrophobicContact CD1-CD1 3.73Å; L12-Y88 HydrophobicContact CD1-CD2 3.76Å; L12-Y88 HydrophobicContact CD1-CE1 4.31Å; L12-Y88 HydrophobicContact CD1-CE2 4.36Å; L12-Y88 HydrophobicContact CD1-CG 3.43Å; L12-Y88 VanDerWaalsContact CD1-CG 3.43Å
13	S	95.5	Very high	77.6	Confident	81 Å²	81	83.5 Å²	83.5	57%	0.566	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.1	172	54.2	0	0	0	0	109.7	L73	S13-L73 CarbonylContact C-O 3.59Å; S13-L73 WeakPolarHBondContact CA-O 3.19Å
14	C	95	Very high	80.2	Confident	14 Å²	14	82.1 Å²	82.1	10%	0.095	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	111	170.3	160.8	0	0	0	0	108.4	T16 W28 I72 L73 C90	C14-T16 VanDerWaalsContact SG-CG2 3.6Å; C14-W28 HydrophobicContact CB-CH2 3.87Å; C14-W28 HydrophobicContact CB-CZ2 4.15Å; C14-I72 CarbonylContact O-C 3.5Å; C14-I72 VanDerWaalsContact O-CA 3.31Å; C14-I72 WeakPolarHBondContact O-CA 3.49Å; C14-L73 HydrophobicContact CB-CB 4.45Å; C14-L73 PolarHBondContact N-O 3.31Å; C14-L73 PolarHBondContact O-N 3.01Å; C14-C90 HydrophobicContact CB-CB 3.47Å; C14-C90 VanDerWaalsContact CB-CB 3.47Å; C14-C90 WeakPolarHBondContact CB-SG 3.43Å; C14-C90 WeakPolarHBondContact SG-CB 3.5Å; C14-C90 CovalentContact SG-SG 2Å; C14-C90 PolarHBondContact SG-SG 2.83Å
15	A	94.6	Very high	82.4	Confident	80 Å²	80	78 Å²	78	66%	0.661	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	136.5	169.9	0	0	0	0	0	109.4	I72	A15-I72 HydrophobicContact CB-CG1 4.21Å
16	T	90.2	Very high	84.8	Confident	27 Å²	27	69.8 Å²	69.8	17%	0.166	43%	0.426	C	S	.	.			trans	-125.5	153.2	-178.7	60.3	0	0	0	0	110.6	C14 F19 F21 M26 S71	C14-T16 VanDerWaalsContact SG-CG2 3.6Å; T16-F19 HydrophobicContact CG2-CZ 4.21Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.4Å; T16-M26 HydrophobicContact CG2-CE 3.99Å; T16-S71 PolarHBondContact N-O 3.11Å; T16-S71 WeakPolarHBondContact O-CB 3.18Å; T16-S71 PolarHBondContact OG1-O 2.81Å
17	S	90.8	Very high	87	Confident	110 Å²	110	63.8 Å²	63.8	77%	0.769	39%	0.387	S	S	*	.			trans	-149.1	166.1	178.6	62.1	0	0	0	0	110.1	F19	S17-F19 WeakPolarHBondContact O-CD1 3.37Å
18	G	89.5	Confident	89	Confident	88 Å²	88	60.1 Å²	60.1	91%	0.907	35%	0.347	S	S	*	.	S	Bend	trans	88.3	5	176.7	0	0	0	0	0	115.6
19	F	88.9	Confident	90.8	Very high	51 Å²	51	59.7 Å²	59.7	22%	0.224	34%	0.337	C	S	.	.	S	Bend	trans	-155.4	164.2	174.4	62.6	-84.8	0	0	0	112.2	T16 S17 F21 Y24 M26	T16-F19 HydrophobicContact CG2-CZ 4.21Å; S17-F19 WeakPolarHBondContact O-CD1 3.37Å; F19-F21 HydrophobicContact CE2-CB 4.3Å; F19-F21 HydrophobicContact CE2-CD2 4.04Å; F19-F21 HydrophobicContact CZ-CD2 4.21Å; F19-F21 PolarHBondContact O-N 2.78Å; F19-Y24 HydrophobicContact CB-CD2 4.48Å; F19-Y24 HydrophobicContact CB-CE1 4.16Å; F19-Y24 HydrophobicContact CB-CE2 3.79Å; F19-Y24 AromaticContact CD2-CD1 3.8Å; F19-Y24 HydrophobicContact CD2-CD1 3.8Å; F19-Y24 AromaticContact CD2-CD2 3.46Å; F19-Y24 HydrophobicContact CD2-CD2 3.46Å; F19-Y24 VanDerWaalsContact CD2-CD2 3.46Å; F19-Y24 AromaticContact CD2-CE1 3.94Å; F19-Y24 HydrophobicContact CD2-CE1 3.94Å; F19-Y24 AromaticContact CD2-CE2 3.67Å; F19-Y24 HydrophobicContact CD2-CE2 3.67Å; F19-Y24 AromaticContact CD2-CG 3.54Å; F19-Y24 HydrophobicContact CD2-CG 3.54Å; F19-Y24 AromaticContact CD2-CZ 3.89Å; F19-Y24 HydrophobicContact CE2-CD1 4.08Å; F19-Y24 HydrophobicContact CE2-CD2 4.13Å; F19-Y24 AromaticContact CE2-CG 3.8Å; F19-Y24 HydrophobicContact CE2-CG 3.8Å; F19-Y24 HydrophobicContact CG-CD1 4.41Å; F19-Y24 HydrophobicContact CG-CD2 4.36Å; F19-Y24 HydrophobicContact CG-CE1 4.14Å; F19-Y24 HydrophobicContact CG-CE2 4.13Å; F19-M26 HydrophobicContact CE2-SD 3.94Å; F19-M26 HydrophobicContact CZ-CE 4.11Å; F19-M26 HydrophobicContact CZ-SD 4.02Å
20	T	92.4	Very high	92.4	Very high	84 Å²	84	53.2 Å²	53.2	52%	0.515	31%	0.308	S	S	.	.			trans	-74	89.6	174.9	-49.2	0	0	0	0	110.3	T22 D23 Y24	T20-T22 WeakPolarHBondContact CG2-OG1 3Å; T20-T22 PolarHBondContact O-N 3.43Å; T20-D23 WeakPolarHBondContact CB-OD2 3.38Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.18Å; T20-D23 PolarHBondContact O-N 2.81Å; T20-Y24 WeakPolarHBondContact O-CD2 3.3Å
21	F	92.5	Very high	93.1	Very high	6 Å²	6	51 Å²	51	3%	0.026	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-47.1	-41.9	-172.4	-179.3	-107.3	0	0	0	113.9	T16 F19 D23 Y24 M26 R66 N68 L73	T16-F21 WeakPolarHBondContact OG1-CD2 3.4Å; F19-F21 HydrophobicContact CE2-CB 4.3Å; F19-F21 HydrophobicContact CE2-CD2 4.04Å; F19-F21 HydrophobicContact CZ-CD2 4.21Å; F19-F21 PolarHBondContact O-N 2.78Å; F21-D23 PolarHBondContact O-N 3.4Å; F21-D23 VanDerWaalsContact O-N 3.11Å; F21-Y24 PolarHBondContact O-N 2.51Å; F21-M26 HydrophobicContact CD2-CE 4.32Å; F21-M26 HydrophobicContact CD2-CG 4.14Å; F21-M26 HydrophobicContact CD2-SD 3.95Å; F21-M26 HydrophobicContact CE2-CE 3.88Å; F21-M26 HydrophobicContact CE2-CG 3.58Å; F21-M26 HydrophobicContact CE2-SD 3.81Å; F21-M26 HydrophobicContact CZ-CG 4.04Å; F21-R66 VanDerWaalsContact C-NH2 3.33Å; F21-R66 HydrophobicContact CE1-CB 3.97Å; F21-R66 VanDerWaalsContact CE1-NH2 3.28Å; F21-R66 HydrophobicContact CZ-CB 4.03Å; F21-R66 PolarHBondContact O-NH2 2.95Å; F21-N68 HydrophobicContact CD1-CB 4.39Å; F21-N68 WeakPolarHBondContact CD1-OD1 3.47Å; F21-N68 WeakPolarHBondContact CE1-OD1 3.5Å; F21-L73 HydrophobicContact CZ-CB 4.35Å
22	T	93.8	Very high	93.2	Very high	39 Å²	39	44.6 Å²	44.6	24%	0.239	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-58.3	-24.7	-178.3	51.7	0	0	0	0	115.1	T20 N45 K46 N68	T20-T22 WeakPolarHBondContact CG2-OG1 3Å; T20-T22 PolarHBondContact O-N 3.43Å; T22-N45 WeakPolarHBondContact O-CB 3.25Å; T22-K46 PolarHBondContact O-N 2.86Å; T22-K46 VanDerWaalsContact O-N 3.09Å; T22-N68 HydrophobicContact CG2-CB 3.67Å
23	D	92.9	Very high	93.3	Very high	82 Å²	82	47.3 Å²	47.3	44%	0.439	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-94.5	-10.9	-170.7	-57.3	-13.9	0	0	0	111.8	T20 F21 N45	T20-D23 WeakPolarHBondContact CB-OD2 3.38Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.18Å; T20-D23 PolarHBondContact O-N 2.81Å; F21-D23 PolarHBondContact O-N 3.4Å; F21-D23 VanDerWaalsContact O-N 3.11Å; D23-N45 VanDerWaalsContact C-CB 3.43Å; D23-N45 VanDerWaalsContact O-CB 3.31Å; D23-N45 WeakPolarHBondContact O-CB 3.3Å; D23-N45 PolarHBondContact O-ND2 2.77Å
24	Y	92.6	Very high	93.2	Very high	49 Å²	49	48 Å²	48	19%	0.192	32%	0.322	C	S	.	.	S	Bend	trans	-103.6	147.7	-174.4	-71.3	-121.5	0	0	0	111.2	F19 T20 F21 R66 W94	F19-Y24 HydrophobicContact CB-CD2 4.48Å; F19-Y24 HydrophobicContact CB-CE1 4.16Å; F19-Y24 HydrophobicContact CB-CE2 3.79Å; F19-Y24 AromaticContact CD2-CD1 3.8Å; F19-Y24 HydrophobicContact CD2-CD1 3.8Å; F19-Y24 AromaticContact CD2-CD2 3.46Å; F19-Y24 HydrophobicContact CD2-CD2 3.46Å; F19-Y24 VanDerWaalsContact CD2-CD2 3.46Å; F19-Y24 AromaticContact CD2-CE1 3.94Å; F19-Y24 HydrophobicContact CD2-CE1 3.94Å; F19-Y24 AromaticContact CD2-CE2 3.67Å; F19-Y24 HydrophobicContact CD2-CE2 3.67Å; F19-Y24 AromaticContact CD2-CG 3.54Å; F19-Y24 HydrophobicContact CD2-CG 3.54Å; F19-Y24 AromaticContact CD2-CZ 3.89Å; F19-Y24 HydrophobicContact CE2-CD1 4.08Å; F19-Y24 HydrophobicContact CE2-CD2 4.13Å; F19-Y24 AromaticContact CE2-CG 3.8Å; F19-Y24 HydrophobicContact CE2-CG 3.8Å; F19-Y24 HydrophobicContact CG-CD1 4.41Å; F19-Y24 HydrophobicContact CG-CD2 4.36Å; F19-Y24 HydrophobicContact CG-CE1 4.14Å; F19-Y24 HydrophobicContact CG-CE2 4.13Å; T20-Y24 WeakPolarHBondContact O-CD2 3.3Å; F21-Y24 PolarHBondContact O-N 2.51Å; Y24-R66 PolarHBondContact O-NH1 2.82Å; Y24-W94 AromaticContact CD1-CD1 3.17Å; Y24-W94 HydrophobicContact CD1-CG 4.43Å; Y24-W94 AromaticContact CD1-NE1 3.47Å; Y24-W94 AromaticContact CD2-NE1 3.58Å; Y24-W94 AromaticContact CE1-CD1 2.94Å; Y24-W94 HydrophobicContact CE1-CG 4.14Å; Y24-W94 AromaticContact CE1-NE1 3Å; Y24-W94 AromaticContact CE2-CD1 3.9Å; Y24-W94 AromaticContact CE2-NE1 3.1Å; Y24-W94 AromaticContact CG-CD1 3.78Å; Y24-W94 AromaticContact CG-NE1 3.76Å; Y24-W94 AromaticContact CZ-CD1 3.35Å; Y24-W94 AromaticContact CZ-CE2 3.79Å; Y24-W94 AromaticContact CZ-NE1 2.78Å; Y24-W94 PolarHBondContact OH-NE1 3.08Å; Y24-W94 VanDerWaalsContact OH-NE1 3.09Å
25	Y	94.4	Very high	93.2	Very high	34 Å²	34	54.3 Å²	54.3	13%	0.133	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	139.7	165.2	-72.8	26.3	0	0	0	107.2	F42 I43 R44 N45 N48 S92 L93	Y25-F42 HydrophobicContact CD2-CD2 4.17Å; Y25-F42 HydrophobicContact CD2-CE2 4.19Å; Y25-F42 HydrophobicContact CE2-CE2 4.36Å; Y25-I43 WeakPolarHBondContact CA-O 3.31Å; Y25-R44 HydrophobicContact CD1-CB 4.29Å; Y25-R44 HydrophobicContact CD2-CG 4.23Å; Y25-R44 HydrophobicContact CE1-CB 4.05Å; Y25-R44 HydrophobicContact CE1-CG 4.3Å; Y25-R44 HydrophobicContact CE2-CB 4.46Å; Y25-R44 HydrophobicContact CE2-CG 3.86Å; Y25-N45 HydrophobicContact CD1-CB 3.93Å; Y25-N45 HydrophobicContact CE1-CB 4.17Å; Y25-N48 WeakPolarHBondContact CE1-OD1 3.31Å; Y25-N48 PolarHBondContact OH-OD1 3.07Å; Y25-S92 WeakPolarHBondContact O-CA 3.41Å; Y25-L93 PolarHBondContact N-O 3.13Å; Y25-L93 VanDerWaalsContact N-O 3.12Å; Y25-L93 PolarHBondContact O-N 2.86Å
26	M	95.4	Very high	93.1	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.5	-177.1	-61.2	-54.7	-53.5	0	0	109.3	T16 F19 F21 F42 I43 L73	T16-M26 HydrophobicContact CG2-CE 3.99Å; F19-M26 HydrophobicContact CE2-SD 3.94Å; F19-M26 HydrophobicContact CZ-CE 4.11Å; F19-M26 HydrophobicContact CZ-SD 4.02Å; F21-M26 HydrophobicContact CD2-CE 4.32Å; F21-M26 HydrophobicContact CD2-CG 4.14Å; F21-M26 HydrophobicContact CD2-SD 3.95Å; F21-M26 HydrophobicContact CE2-CE 3.88Å; F21-M26 HydrophobicContact CE2-CG 3.58Å; F21-M26 HydrophobicContact CE2-SD 3.81Å; F21-M26 HydrophobicContact CZ-CG 4.04Å; M26-F42 CarbonylContact O-C 3.47Å; M26-F42 WeakPolarHBondContact O-CA 3.48Å; M26-F42 WeakPolarHBondContact O-CB 3.42Å; M26-I43 HydrophobicContact CB-CG2 3.93Å; M26-I43 PolarHBondContact N-O 3.09Å; M26-I43 PolarHBondContact O-N 2.87Å; M26-L73 HydrophobicContact CB-CD1 3.57Å; M26-L73 HydrophobicContact CB-CD2 3.84Å; M26-L73 HydrophobicContact CB-CG 4.23Å; M26-L73 HydrophobicContact CG-CD1 4.41Å
27	S	95.1	Very high	93.3	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.007	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	150.6	-175.3	-63.3	0	0	0	0	112	G41 F42 C90 A91 L93	S27-G41 WeakPolarHBondContact CA-O 3.11Å; S27-F42 VanDerWaalsContact OG-CB 3.31Å; S27-F42 WeakPolarHBondContact OG-CB 3.45Å; S27-C90 CarbonylContact O-C 3.5Å; S27-C90 VanDerWaalsContact O-CA 3.26Å; S27-C90 WeakPolarHBondContact O-CA 3.31Å; S27-A91 PolarHBondContact N-O 3.46Å; S27-A91 PolarHBondContact O-N 3.5Å; S27-L93 VanDerWaalsContact OG-CD1 3.31Å; S27-L93 WeakPolarHBondContact OG-CD1 3.42Å
28	W	95.5	Very high	93.4	Very high	6 Å²	6	55.9 Å²	55.9	2%	0.023	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.5	163.6	-78.7	100.4	0	0	0	110.2	L12 C14 L40 G41 L73 Y74 L75 Y89	L12-W28 HydrophobicContact CB-CH2 3.85Å; L12-W28 HydrophobicContact CB-CZ2 4.36Å; L12-W28 HydrophobicContact CB-CZ3 4.38Å; L12-W28 HydrophobicContact CD1-CZ3 4.41Å; C14-W28 HydrophobicContact CB-CH2 3.87Å; C14-W28 HydrophobicContact CB-CZ2 4.15Å; W28-L40 HydrophobicContact CB-CB 4.22Å; W28-L40 HydrophobicContact CB-CD1 4.45Å; W28-L40 WeakPolarHBondContact O-CB 3.01Å; W28-L40 PolarHBondContact O-N 2.63Å; W28-G41 PolarHBondContact N-O 2.9Å; W28-L73 HydrophobicContact CD2-CD2 4.25Å; W28-L73 HydrophobicContact CG-CD2 4.22Å; W28-L73 HydrophobicContact CZ2-CD2 4.26Å; W28-L73 HydrophobicContact CZ2-CG 4.28Å; W28-L73 VanDerWaalsContact NE1-CD2 3.26Å; W28-L73 VanDerWaalsContact NE1-CG 3.34Å; W28-Y74 PolarHBondContact NE1-O 2.75Å; W28-L75 HydrophobicContact CB-CD1 4.29Å; W28-L75 HydrophobicContact CB-CD2 4.47Å; W28-L75 HydrophobicContact CD2-CB 3.86Å; W28-L75 HydrophobicContact CD2-CD1 4.49Å; W28-L75 HydrophobicContact CD2-CD2 4.15Å; W28-L75 HydrophobicContact CD2-CG 4.4Å; W28-L75 HydrophobicContact CE3-CB 4.47Å; W28-L75 HydrophobicContact CE3-CD2 4.34Å; W28-L75 HydrophobicContact CG-CB 4.16Å; W28-L75 HydrophobicContact CG-CD1 3.93Å; W28-L75 HydrophobicContact CG-CD2 4.22Å; W28-L75 HydrophobicContact CG-CG 4.35Å; W28-L75 HydrophobicContact CH2-CB 4.47Å; W28-L75 HydrophobicContact CZ2-CB 3.86Å; W28-Y89 WeakPolarHBondContact CA-O 3.44Å
29	V	94.7	Very high	93.6	Very high	26 Å²	26	56.2 Å²	56.2	16%	0.158	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	144.8	175.9	-174.8	0	0	0	0	107.3	L37 E38 Y88 Y89	V29-L37 HydrophobicContact CG1-CB 3.85Å; V29-L37 HydrophobicContact CG1-CD2 3.67Å; V29-L37 HydrophobicContact CG1-CG 4.29Å; V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.31Å; V29-E38 WeakPolarHBondContact CG1-O 3.2Å; V29-Y88 WeakPolarHBondContact O-CA 3.24Å; V29-Y89 PolarHBondContact N-O 3.39Å; V29-Y89 PolarHBondContact O-N 2.99Å
30	R	93.6	Very high	93.8	Very high	16 Å²	16	53.9 Å²	53.9	6%	0.06	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	154	171.8	68.8	173.7	-179.3	-174.9	3.6	111.4	E38 L40 D84 A86 T87 Y88	R30-E38 HydrophobicContact CG-CB 4.1Å; R30-E38 IonicContact CZ-OE2 2.77Å; R30-E38 PolarHBondContact N-O 3.06Å; R30-E38 IonicContact NE-OE2 3.21Å; R30-E38 PolarHBondContact NE-OE2 3.18Å; R30-E38 IonicContact NH2-OE1 3.26Å; R30-E38 PolarHBondContact NH2-OE1 2.76Å; R30-E38 IonicContact NH2-OE2 2.95Å; R30-E38 PolarHBondContact NH2-OE2 3.16Å; R30-E38 PolarHBondContact O-N 2.83Å; R30-L40 HydrophobicContact CB-CD1 4.12Å; R30-L40 HydrophobicContact CB-CG 4.45Å; R30-L40 HydrophobicContact CG-CD1 4.13Å; R30-L40 HydrophobicContact CG-CD2 3.86Å; R30-L40 HydrophobicContact CG-CG 4.07Å; R30-D84 IonicContact CZ-OD1 2.75Å; R30-D84 IonicContact NH1-OD1 3.35Å; R30-D84 PolarHBondContact NH1-OD1 3.26Å; R30-A86 HydrophobicContact CB-CB 3.98Å; R30-A86 HydrophobicContact CG-CB 4.42Å; R30-T87 CarbonylContact C-O 3.57Å; R30-T87 VanDerWaalsContact CA-O 3.25Å; R30-T87 WeakPolarHBondContact CA-O 3.5Å; R30-Y88 HydrophobicContact CB-CD1 3.9Å; R30-Y88 HydrophobicContact CB-CE1 3.9Å; R30-Y88 HydrophobicContact CB-CG 4.35Å
31	Q	94.6	Very high	94	Very high	73 Å²	73	49.9 Å²	49.9	34%	0.341	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	103.3	173.1	-168.8	177.3	27	0	0	109.3	K35 L37 A86 T87 Y89	Q31-K35 WeakPolarHBondContact CG-O 3.26Å; Q31-L37 HydrophobicContact CB-CD2 3.77Å; Q31-L37 HydrophobicContact CG-CD2 4.26Å; Q31-A86 WeakPolarHBondContact O-CA 3.45Å; Q31-A86 WeakPolarHBondContact O-CB 3.03Å; Q31-T87 PolarHBondContact N-O 2.95Å; Q31-T87 PolarHBondContact O-N 3.19Å; Q31-Y89 HydrophobicContact CB-CE2 3.79Å; Q31-Y89 PolarHBondContact OE1-OH 3.27Å
32	P	93	Very high	94.1	Very high	16 Å²	16	50.9 Å²	50.9	10%	0.104	29%	0.288	C	S	.	.			trans	-65.4	150.7	169.9	-16.7	30	0	0	0	110.6	G34 K35 A86	P32-G34 PolarHBondContact O-N 3.02Å; P32-K35 HydrophobicContact CB-CB 4.02Å; P32-K35 HydrophobicContact CB-CD 3.99Å; P32-K35 HydrophobicContact CB-CG 4.19Å; P32-K35 HydrophobicContact CG-CB 4.21Å; P32-K35 HydrophobicContact CG-CD 4.25Å; P32-K35 PolarHBondContact O-N 3.24Å; P32-A86 HydrophobicContact CG-CB 4.43Å
33	P	93.4	Very high	94.2	Very high	109 Å²	109	49.5 Å²	49.5	71%	0.708	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	126.5	177.5	-25.6	34.2	0	0	0	111.9	K35 S85	P33-K35 PolarHBondContact O-N 2.91Å; P33-S85 WeakPolarHBondContact CD-O 3.44Å
34	G	94.9	Very high	94.3	Very high	96 Å²	96	48.1 Å²	48.1	99%	0.99	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	10.5	179.9	0	0	0	0	0	115.4	P32	P32-G34 PolarHBondContact O-N 3.02Å
35	K	93.8	Very high	94.4	Very high	146 Å²	146	46.3 Å²	46.3	64%	0.635	26%	0.261	S	S	*	.	S	Bend	trans	-118	163.4	178.5	-61	-169	-178.1	178.9	0	112.1	Q31 P32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.26Å; P32-K35 HydrophobicContact CB-CB 4.02Å; P32-K35 HydrophobicContact CB-CD 3.99Å; P32-K35 HydrophobicContact CB-CG 4.19Å; P32-K35 HydrophobicContact CG-CB 4.21Å; P32-K35 HydrophobicContact CG-CD 4.25Å; P32-K35 PolarHBondContact O-N 3.24Å; P33-K35 PolarHBondContact O-N 2.91Å
36	A	93.6	Very high	94.4	Very high	82 Å²	82	51.3 Å²	51.3	68%	0.678	28%	0.284	S	S	*	.			trans	-65.9	164.1	172.9	0	0	0	0	0	111.8
37	L	94	Very high	94.3	Very high	109 Å²	109	55.4 Å²	55.4	57%	0.571	32%	0.318	S	S	*	.			trans	-63.8	136.5	171.6	-73.2	164.4	0	0	0	110.4	V29 Q31 Y89	V29-L37 HydrophobicContact CG1-CB 3.85Å; V29-L37 HydrophobicContact CG1-CD2 3.67Å; V29-L37 HydrophobicContact CG1-CG 4.29Å; Q31-L37 HydrophobicContact CB-CD2 3.77Å; Q31-L37 HydrophobicContact CG-CD2 4.26Å; L37-Y89 HydrophobicContact CD2-CD2 3.95Å; L37-Y89 HydrophobicContact CD2-CE2 3.93Å
38	E	93.1	Very high	94.2	Very high	60 Å²	60	58.8 Å²	58.8	28%	0.28	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.4	178.3	-175.3	-173.6	178.6	0	0	109.2	V29 R30 S57	V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.31Å; V29-E38 WeakPolarHBondContact CG1-O 3.2Å; R30-E38 HydrophobicContact CG-CB 4.1Å; R30-E38 IonicContact CZ-OE2 2.77Å; R30-E38 PolarHBondContact N-O 3.06Å; R30-E38 IonicContact NE-OE2 3.21Å; R30-E38 PolarHBondContact NE-OE2 3.18Å; R30-E38 IonicContact NH2-OE1 3.26Å; R30-E38 PolarHBondContact NH2-OE1 2.76Å; R30-E38 IonicContact NH2-OE2 2.95Å; R30-E38 PolarHBondContact NH2-OE2 3.16Å; R30-E38 PolarHBondContact O-N 2.83Å; E38-S57 WeakPolarHBondContact OE1-CB 3.5Å; E38-S57 PolarHBondContact OE1-OG 2.77Å
39	W	94	Very high	94.2	Very high	95 Å²	95	61.1 Å²	61.1	36%	0.36	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.7	173.4	176.8	80	0	0	0	110.5	G41 F42 E53 S55	W39-G41 VanDerWaalsContact CE2-C 3.45Å; W39-G41 VanDerWaalsContact CE2-CA 3.44Å; W39-G41 PolarHBondContact NE1-O 3.46Å; W39-F42 HydrophobicContact CH2-CD1 4.24Å; W39-F42 HydrophobicContact CH2-CE1 4.42Å; W39-F42 HydrophobicContact CZ2-CB 4.29Å; W39-F42 AromaticContact CZ2-CD1 3.33Å; W39-F42 HydrophobicContact CZ2-CD1 3.33Å; W39-F42 AromaticContact CZ2-CE1 3.91Å; W39-F42 HydrophobicContact CZ2-CE1 3.91Å; W39-F42 HydrophobicContact CZ2-CG 4.13Å; W39-E53 HydrophobicContact CH2-CB 4.26Å; W39-S55 VanDerWaalsContact CZ3-N 3.35Å; W39-S55 WeakPolarHBondContact O-CB 3.35Å; W39-S55 PolarHBondContact O-OG 3.05Å
40	L	93.6	Very high	94.2	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-33.8	-177.8	-64.9	-176.2	0	0	0	113.1	W28 R30 Y54 S55 F62 L75 Y88	W28-L40 HydrophobicContact CB-CB 4.22Å; W28-L40 HydrophobicContact CB-CD1 4.45Å; W28-L40 WeakPolarHBondContact O-CB 3.01Å; W28-L40 PolarHBondContact O-N 2.63Å; R30-L40 HydrophobicContact CB-CD1 4.12Å; R30-L40 HydrophobicContact CB-CG 4.45Å; R30-L40 HydrophobicContact CG-CD1 4.13Å; R30-L40 HydrophobicContact CG-CD2 3.86Å; R30-L40 HydrophobicContact CG-CG 4.07Å; L40-Y54 WeakPolarHBondContact O-CA 3.39Å; L40-S55 PolarHBondContact O-N 3.21Å; L40-S55 PolarHBondContact O-OG 2.96Å; L40-F62 HydrophobicContact CB-CD2 4.48Å; L40-F62 HydrophobicContact CD1-CD2 4.17Å; L40-F62 HydrophobicContact CD1-CE2 4.04Å; L40-F62 HydrophobicContact CD2-CD2 4.27Å; L40-F62 HydrophobicContact CD2-CE2 3.81Å; L40-F62 HydrophobicContact CG-CE2 4.44Å; L40-L75 HydrophobicContact CD1-CD2 3.96Å; L40-Y88 HydrophobicContact CD1-CD1 3.91Å; L40-Y88 HydrophobicContact CD1-CE1 3.64Å
41	G	94.7	Very high	94.3	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.4	168	-173.1	0	0	0	0	0	112.3	S27 W28 W39 E53	S27-G41 WeakPolarHBondContact CA-O 3.11Å; W28-G41 PolarHBondContact N-O 2.9Å; W39-G41 VanDerWaalsContact CE2-C 3.45Å; W39-G41 VanDerWaalsContact CE2-CA 3.44Å; W39-G41 PolarHBondContact NE1-O 3.46Å; G41-E53 CarbonylContact C-O 3.6Å; G41-E53 WeakPolarHBondContact CA-O 3.19Å
42	F	95.8	Very high	94.4	Very high	27 Å²	27	65.4 Å²	65.4	12%	0.118	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	160	169.2	69.8	-110.4	0	0	0	111.5	Y25 M26 S27 W39 R44 T52 E53	Y25-F42 HydrophobicContact CD2-CD2 4.17Å; Y25-F42 HydrophobicContact CD2-CE2 4.19Å; Y25-F42 HydrophobicContact CE2-CE2 4.36Å; M26-F42 CarbonylContact O-C 3.47Å; M26-F42 WeakPolarHBondContact O-CA 3.48Å; M26-F42 WeakPolarHBondContact O-CB 3.42Å; S27-F42 VanDerWaalsContact OG-CB 3.31Å; S27-F42 WeakPolarHBondContact OG-CB 3.45Å; W39-F42 HydrophobicContact CH2-CD1 4.24Å; W39-F42 HydrophobicContact CH2-CE1 4.42Å; W39-F42 HydrophobicContact CZ2-CB 4.29Å; W39-F42 AromaticContact CZ2-CD1 3.33Å; W39-F42 HydrophobicContact CZ2-CD1 3.33Å; W39-F42 AromaticContact CZ2-CE1 3.91Å; W39-F42 HydrophobicContact CZ2-CE1 3.91Å; W39-F42 HydrophobicContact CZ2-CG 4.13Å; F42-R44 HydrophobicContact CD2-CG 4Å; F42-R44 HydrophobicContact CE2-CG 3.49Å; F42-R44 VanDerWaalsContact CE2-CG 3.49Å; F42-T52 VanDerWaalsContact O-CA 3.3Å; F42-T52 WeakPolarHBondContact O-CA 3.35Å; F42-E53 HydrophobicContact CD1-CB 4.49Å; F42-E53 HydrophobicContact CE1-CB 3.94Å; F42-E53 HydrophobicContact CE1-CG 4.44Å; F42-E53 HydrophobicContact CE2-CB 4.13Å; F42-E53 HydrophobicContact CE2-CG 4.17Å; F42-E53 HydrophobicContact CZ-CB 3.74Å; F42-E53 HydrophobicContact CZ-CG 3.8Å; F42-E53 WeakPolarHBondContact CZ-OE2 3.29Å; F42-E53 PolarHBondContact N-O 2Å; F42-E53 PolarHBondContact O-N 3.09Å
43	I	96.2	Very high	94.4	Very high	10 Å²	10	68.7 Å²	68.7	5%	0.051	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.4	165.3	-172.3	161	0	0	0	109.1	Y25 M26 T52 I64 R66 L73	Y25-I43 WeakPolarHBondContact CA-O 3.31Å; M26-I43 HydrophobicContact CB-CG2 3.93Å; M26-I43 PolarHBondContact N-O 3.09Å; M26-I43 PolarHBondContact O-N 2.87Å; I43-T52 HydrophobicContact CB-CG2 3.9Å; I43-T52 HydrophobicContact CD1-CG2 3.92Å; I43-T52 HydrophobicContact CG1-CG2 3.8Å; I43-I64 HydrophobicContact CB-CG2 3.84Å; I43-I64 HydrophobicContact CG2-CG2 3.79Å; I43-R66 HydrophobicContact CD1-CB 4.4Å; I43-R66 HydrophobicContact CD1-CG 3.79Å; I43-R66 HydrophobicContact CG2-CB 4.43Å; I43-L73 HydrophobicContact CG2-CD1 3.55Å
44	R	94.9	Very high	94.5	Very high	53 Å²	53	66.4 Å²	66.4	20%	0.2	38%	0.378	C	S	.	.			trans	-68.6	166.2	179.9	-62.3	-165	170.7	81	-0.7	111.7	Y25 F42 N48 Y50 T51 E53 R66	Y25-R44 HydrophobicContact CD1-CB 4.29Å; Y25-R44 HydrophobicContact CD2-CG 4.23Å; Y25-R44 HydrophobicContact CE1-CB 4.05Å; Y25-R44 HydrophobicContact CE1-CG 4.3Å; Y25-R44 HydrophobicContact CE2-CB 4.46Å; Y25-R44 HydrophobicContact CE2-CG 3.86Å; F42-R44 HydrophobicContact CD2-CG 4Å; F42-R44 HydrophobicContact CE2-CG 3.49Å; F42-R44 VanDerWaalsContact CE2-CG 3.49Å; R44-N48 HydrophobicContact CB-CB 3.88Å; R44-N48 HydrophobicContact CG-CB 4.33Å; R44-Y50 WeakPolarHBondContact O-CD1 3.3Å; R44-T51 VanDerWaalsContact CD-OG1 3.29Å; R44-T51 WeakPolarHBondContact CD-OG1 2.95Å; R44-T51 PolarHBondContact N-O 2.9Å; R44-T51 PolarHBondContact NH1-OG1 3.12Å; R44-E53 IonicContact CZ-OE1 3.06Å; R44-E53 VanDerWaalsContact CZ-OE1 3.26Å; R44-E53 IonicContact NH1-OE1 3.08Å; R44-E53 PolarHBondContact NH1-OE1 2.85Å; R44-E53 VanDerWaalsContact NH1-OE1 3.08Å; R44-E53 VanDerWaalsContact NH2-CD 3.35Å; R44-E53 IonicContact NH2-OE1 2.76Å; R44-E53 PolarHBondContact NH2-OE1 2.82Å; R44-E53 IonicContact NH2-OE2 3.94Å; R44-R66 PolarHBondContact O-NH1 2.98Å
45	N	94.1	Very high	94.4	Very high	12 Å²	12	62.8 Å²	62.8	6%	0.064	34%	0.337	C	S	.	.			trans	-71.5	-179.5	174	71.2	7.5	0	0	0	112.2	T22 D23 Y25 A47 N48 Y50	T22-N45 WeakPolarHBondContact O-CB 3.25Å; D23-N45 VanDerWaalsContact C-CB 3.43Å; D23-N45 VanDerWaalsContact O-CB 3.31Å; D23-N45 WeakPolarHBondContact O-CB 3.3Å; D23-N45 PolarHBondContact O-ND2 2.77Å; Y25-N45 HydrophobicContact CD1-CB 3.93Å; Y25-N45 HydrophobicContact CE1-CB 4.17Å; N45-A47 VanDerWaalsContact C-N 3.34Å; N45-A47 PolarHBondContact O-N 3.19Å; N45-A47 PolarHBondContact OD1-N 2.9Å; N45-N48 PolarHBondContact O-N 2.95Å; N45-N48 PolarHBondContact OD1-N 3.46Å; N45-N48 VanDerWaalsContact OD1-N 3.11Å; N45-N48 PolarHBondContact OD1-OD1 2.89Å; N45-Y50 PolarHBondContact O-N 2.85Å
46	K	94.4	Very high	94.2	Very high	138 Å²	138	60.9 Å²	60.9	60%	0.6	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-59.7	-41.8	178.4	-174.9	176.1	177.9	-175.4	0	113	T22 N48 G49 Y50	T22-K46 PolarHBondContact O-N 2.86Å; T22-K46 VanDerWaalsContact O-N 3.09Å; K46-N48 PolarHBondContact O-N 2.84Å; K46-G49 PolarHBondContact O-N 2.98Å; K46-G49 VanDerWaalsContact O-N 3.12Å; K46-Y50 HydrophobicContact CB-CE1 3.81Å; K46-Y50 HydrophobicContact CB-CE2 4.46Å; K46-Y50 VanDerWaalsContact CB-OH 3.31Å; K46-Y50 WeakPolarHBondContact CB-OH 3.46Å; K46-Y50 HydrophobicContact CG-CE1 4.49Å; K46-Y50 HydrophobicContact CG-CE2 4.29Å; K46-Y50 VanDerWaalsContact CG-OH 3.32Å; K46-Y50 WeakPolarHBondContact CG-OH 3.49Å
47	A	93.4	Very high	93.7	Very high	87 Å²	87	58.2 Å²	58.2	72%	0.719	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-62	-27.2	-177	0	0	0	0	0	112.7	N45	N45-A47 VanDerWaalsContact C-N 3.34Å; N45-A47 PolarHBondContact O-N 3.19Å; N45-A47 PolarHBondContact OD1-N 2.9Å
48	N	93.7	Very high	93	Very high	72 Å²	72	53 Å²	53	39%	0.385	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-107.9	26.8	178.7	-51.4	118	0	0	0	113.1	Y25 R44 N45 K46 Y50 T51	Y25-N48 WeakPolarHBondContact CE1-OD1 3.31Å; Y25-N48 PolarHBondContact OH-OD1 3.07Å; R44-N48 HydrophobicContact CB-CB 3.88Å; R44-N48 HydrophobicContact CG-CB 4.33Å; N45-N48 PolarHBondContact O-N 2.95Å; N45-N48 PolarHBondContact OD1-N 3.46Å; N45-N48 VanDerWaalsContact OD1-N 3.11Å; N45-N48 PolarHBondContact OD1-OD1 2.89Å; K46-N48 PolarHBondContact O-N 2.84Å; N48-Y50 VanDerWaalsContact C-N 3.29Å; N48-Y50 PolarHBondContact O-N 3.32Å; N48-T51 PolarHBondContact O-OG1 3.01Å
49	G	94.3	Very high	92.7	Very high	55 Å²	55	57.9 Å²	57.9	57%	0.567	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	20.7	166.8	0	0	0	0	0	115.2	K46 T51	K46-G49 PolarHBondContact O-N 2.98Å; K46-G49 VanDerWaalsContact O-N 3.12Å; G49-T51 PolarHBondContact O-N 2.95Å; G49-T51 VanDerWaalsContact O-N 3.09Å
50	Y	95.2	Very high	92.4	Very high	82 Å²	82	56.8 Å²	56.8	32%	0.322	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	27.7	-179.8	-51	-62.6	0	0	0	114.7	R44 N45 K46 N48 N68	R44-Y50 WeakPolarHBondContact O-CD1 3.3Å; N45-Y50 PolarHBondContact O-N 2.85Å; K46-Y50 HydrophobicContact CB-CE1 3.81Å; K46-Y50 HydrophobicContact CB-CE2 4.46Å; K46-Y50 VanDerWaalsContact CB-OH 3.31Å; K46-Y50 WeakPolarHBondContact CB-OH 3.46Å; K46-Y50 HydrophobicContact CG-CE1 4.49Å; K46-Y50 HydrophobicContact CG-CE2 4.29Å; K46-Y50 VanDerWaalsContact CG-OH 3.32Å; K46-Y50 WeakPolarHBondContact CG-OH 3.49Å; N48-Y50 VanDerWaalsContact C-N 3.29Å; N48-Y50 PolarHBondContact O-N 3.32Å; Y50-N68 PolarHBondContact OH-ND2 2.8Å; Y50-N68 VanDerWaalsContact OH-ND2 3.13Å
51	T	95.6	Very high	92.1	Very high	68 Å²	68	58.2 Å²	58.2	42%	0.417	34%	0.342	S	S	.	.			trans	-64.3	151	175.8	54.9	0	0	0	0	110.7	R44 N48 G49	R44-T51 VanDerWaalsContact CD-OG1 3.29Å; R44-T51 WeakPolarHBondContact CD-OG1 2.95Å; R44-T51 PolarHBondContact N-O 2.9Å; R44-T51 PolarHBondContact NH1-OG1 3.12Å; N48-T51 PolarHBondContact O-OG1 3.01Å; G49-T51 PolarHBondContact O-N 2.95Å; G49-T51 VanDerWaalsContact O-N 3.09Å
52	T	95.8	Very high	91.9	Very high	55 Å²	55	58.5 Å²	58.5	34%	0.337	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144	-177.9	51.4	0	0	0	0	111.1	F42 I43 Y54 I64	F42-T52 VanDerWaalsContact O-CA 3.3Å; F42-T52 WeakPolarHBondContact O-CA 3.35Å; I43-T52 HydrophobicContact CB-CG2 3.9Å; I43-T52 HydrophobicContact CD1-CG2 3.92Å; I43-T52 HydrophobicContact CG1-CG2 3.8Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.34Å; T52-I64 HydrophobicContact CG2-CB 4.46Å
53	E	94.7	Very high	91.8	Very high	86 Å²	86	60.2 Å²	60.2	40%	0.402	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.7	168.9	-68.6	-171.5	-173.4	0	0	109.6	W39 G41 F42 R44	W39-E53 HydrophobicContact CH2-CB 4.26Å; G41-E53 CarbonylContact C-O 3.6Å; G41-E53 WeakPolarHBondContact CA-O 3.19Å; F42-E53 HydrophobicContact CD1-CB 4.49Å; F42-E53 HydrophobicContact CE1-CB 3.94Å; F42-E53 HydrophobicContact CE1-CG 4.44Å; F42-E53 HydrophobicContact CE2-CB 4.13Å; F42-E53 HydrophobicContact CE2-CG 4.17Å; F42-E53 HydrophobicContact CZ-CB 3.74Å; F42-E53 HydrophobicContact CZ-CG 3.8Å; F42-E53 WeakPolarHBondContact CZ-OE2 3.29Å; F42-E53 PolarHBondContact N-O 2Å; F42-E53 PolarHBondContact O-N 3.09Å; R44-E53 IonicContact CZ-OE1 3.06Å; R44-E53 VanDerWaalsContact CZ-OE1 3.26Å; R44-E53 IonicContact NH1-OE1 3.08Å; R44-E53 PolarHBondContact NH1-OE1 2.85Å; R44-E53 VanDerWaalsContact NH1-OE1 3.08Å; R44-E53 VanDerWaalsContact NH2-CD 3.35Å; R44-E53 IonicContact NH2-OE1 2.76Å; R44-E53 PolarHBondContact NH2-OE1 2.82Å; R44-E53 IonicContact NH2-OE2 3.94Å
54	Y	94.6	Very high	91.8	Very high	61 Å²	61	60 Å²	60	24%	0.239	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	146.4	-175.4	-62.8	-87.7	0	0	0	109.7	L40 T52 F62 I64	L40-Y54 WeakPolarHBondContact O-CA 3.39Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.34Å; Y54-F62 VanDerWaalsContact CE1-O 3.24Å; Y54-F62 WeakPolarHBondContact CE1-O 3.15Å; Y54-I64 HydrophobicContact CD1-CD1 4.42Å; Y54-I64 HydrophobicContact CE1-CB 4.43Å; Y54-I64 HydrophobicContact CE1-CD1 4.04Å; Y54-I64 HydrophobicContact CE1-CG1 3.88Å; Y54-I64 PolarHBondContact OH-N 2.95Å
55	S	92.6	Very high	91.8	Very high	19 Å²	19	59.5 Å²	59.5	13%	0.133	36%	0.359	C	S	.	.			trans	-68.6	167.1	165.8	70.3	0	0	0	0	110.7	W39 L40 S57 G58 K59	W39-S55 VanDerWaalsContact CZ3-N 3.35Å; W39-S55 WeakPolarHBondContact O-CB 3.35Å; W39-S55 PolarHBondContact O-OG 3.05Å; L40-S55 PolarHBondContact O-N 3.21Å; L40-S55 PolarHBondContact O-OG 2.96Å; S55-S57 PolarHBondContact O-N 3.08Å; S55-S57 PolarHBondContact OG-N 2.98Å; S55-S57 PolarHBondContact OG-OG 3.1Å; S55-G58 PolarHBondContact O-N 3.28Å; S55-G58 PolarHBondContact OG-N 3.21Å; S55-G58 VanDerWaalsContact OG-N 3.16Å; S55-K59 PolarHBondContact O-N 2.6Å
56	A	89.2	Confident	91.9	Very high	106 Å²	106	60.5 Å²	60.5	88%	0.876	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-33.6	174	0	0	0	0	0	112.3
57	S	83.2	Confident	91.9	Very high	26 Å²	26	56 Å²	56	18%	0.182	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-24.5	177.7	63.5	0	0	0	0	113.5	E38 S55 R61	E38-S57 WeakPolarHBondContact OE1-CB 3.5Å; E38-S57 PolarHBondContact OE1-OG 2.77Å; S55-S57 PolarHBondContact O-N 3.08Å; S55-S57 PolarHBondContact OG-N 2.98Å; S55-S57 PolarHBondContact OG-OG 3.1Å; S57-R61 VanDerWaalsContact O-CZ 3.25Å; S57-R61 PolarHBondContact O-NE 2.86Å; S57-R61 PolarHBondContact O-NH2 3.46Å
58	G	80.9	Confident	91.9	Very high	0 Å²	0	54 Å²	54	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-30.7	179.8	0	0	0	0	0	114.8	S55 G60 R61 F62	S55-G58 PolarHBondContact O-N 3.28Å; S55-G58 PolarHBondContact OG-N 3.21Å; S55-G58 VanDerWaalsContact OG-N 3.16Å; G58-G60 PolarHBondContact O-N 2.99Å; G58-R61 PolarHBondContact O-N 2.99Å; G58-R61 VanDerWaalsContact O-N 3.1Å; G58-F62 VanDerWaalsContact CA-CD2 3.41Å; G58-F62 PolarHBondContact O-N 3.04Å
59	K	86.6	Confident	91.9	Very high	163 Å²	163	55.6 Å²	55.6	71%	0.709	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	125.5	-174.3	-167.5	172.9	-175.9	177.1	0	111.6	S55 R61	S55-K59 PolarHBondContact O-N 2.6Å; K59-R61 PolarHBondContact O-N 2.97Å
60	G	86.3	Confident	92	Very high	71 Å²	71	58.2 Å²	58.2	73%	0.732	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	-7.5	178.7	0	0	0	0	0	115.4	G58	G58-G60 PolarHBondContact O-N 2.99Å
61	R	88.1	Confident	92	Very high	32 Å²	32	56 Å²	56	12%	0.121	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-31.9	178.9	-55.3	-162.6	-56	132.8	3.1	112.9	S57 G58 K59 N78 D84	S57-R61 VanDerWaalsContact O-CZ 3.25Å; S57-R61 PolarHBondContact O-NE 2.86Å; S57-R61 PolarHBondContact O-NH2 3.46Å; G58-R61 PolarHBondContact O-N 2.99Å; G58-R61 VanDerWaalsContact O-N 3.1Å; K59-R61 PolarHBondContact O-N 2.97Å; R61-N78 PolarHBondContact O-N 3.18Å; R61-D84 IonicContact CZ-OD1 2.81Å; R61-D84 VanDerWaalsContact NH1-CG 3.25Å; R61-D84 IonicContact NH1-OD1 3.88Å; R61-D84 PolarHBondContact NH1-OD1 2.87Å; R61-D84 IonicContact NH1-OD2 2.6Å; R61-D84 PolarHBondContact NH1-OD2 3Å; R61-D84 IonicContact NH2-OD1 3.4Å; R61-D84 PolarHBondContact NH2-OD1 3Å
62	F	90.1	Very high	92	Very high	5 Å²	5	54 Å²	54	2%	0.022	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.5	179.5	-50.6	-48.4	0	0	0	111.7	L40 Y54 G58 L75 Q76 M77	L40-F62 HydrophobicContact CB-CD2 4.48Å; L40-F62 HydrophobicContact CD1-CD2 4.17Å; L40-F62 HydrophobicContact CD1-CE2 4.04Å; L40-F62 HydrophobicContact CD2-CD2 4.27Å; L40-F62 HydrophobicContact CD2-CE2 3.81Å; L40-F62 HydrophobicContact CG-CE2 4.44Å; Y54-F62 VanDerWaalsContact CE1-O 3.24Å; Y54-F62 WeakPolarHBondContact CE1-O 3.15Å; G58-F62 VanDerWaalsContact CA-CD2 3.41Å; G58-F62 PolarHBondContact O-N 3.04Å; F62-L75 HydrophobicContact CB-CD1 3.75Å; F62-L75 HydrophobicContact CB-CG 4.37Å; F62-L75 HydrophobicContact CG-CD1 4.27Å; F62-Q76 CarbonylContact C-O 3.52Å; F62-Q76 VanDerWaalsContact CA-O 3.25Å; F62-Q76 WeakPolarHBondContact CA-O 3.48Å; F62-M77 HydrophobicContact CD1-CB 4.13Å; F62-M77 HydrophobicContact CD1-CG 3.73Å; F62-M77 HydrophobicContact CE1-CB 4.23Å; F62-M77 HydrophobicContact CE1-CG 3.83Å; F62-M77 HydrophobicContact CE1-SD 4.5Å
63	T	94	Very high	92.1	Very high	63 Å²	63	51.4 Å²	51.4	39%	0.387	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120	169.2	-49.4	0	0	0	0	108.8	Q76 N78	T63-Q76 PolarHBondContact N-O 2.65Å; T63-Q76 PolarHBondContact O-N 3.11Å; T63-N78 PolarHBondContact OG1-ND2 3.25Å
64	I	95.4	Very high	92.2	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.6	175.6	-60.2	172.1	0	0	0	108.7	I43 T52 Y54 L73 Y74 L75	I43-I64 HydrophobicContact CB-CG2 3.84Å; I43-I64 HydrophobicContact CG2-CG2 3.79Å; T52-I64 HydrophobicContact CG2-CB 4.46Å; Y54-I64 HydrophobicContact CD1-CD1 4.42Å; Y54-I64 HydrophobicContact CE1-CB 4.43Å; Y54-I64 HydrophobicContact CE1-CD1 4.04Å; Y54-I64 HydrophobicContact CE1-CG1 3.88Å; Y54-I64 PolarHBondContact OH-N 2.95Å; I64-L73 HydrophobicContact CG2-CD1 3.92Å; I64-Y74 WeakPolarHBondContact CA-O 3.35Å; I64-L75 HydrophobicContact CD1-CD1 4.44Å; I64-L75 HydrophobicContact CG1-CD1 3.63Å
65	S	95.9	Very high	92.2	Very high	42 Å²	42	46.4 Å²	46.4	29%	0.294	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	165.2	172.3	63.9	0	0	0	0	110.7	Y74	S65-Y74 PolarHBondContact N-O 2.94Å; S65-Y74 VanDerWaalsContact N-O 3.11Å; S65-Y74 PolarHBondContact O-N 3.08Å
66	R	95.6	Very high	92.2	Very high	33 Å²	33	46.6 Å²	46.6	13%	0.125	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	142.4	-175.6	64.9	-171.9	-65	161.8	12.1	111.2	F21 Y24 I43 R44 N68 I72 L73	F21-R66 VanDerWaalsContact C-NH2 3.33Å; F21-R66 HydrophobicContact CE1-CB 3.97Å; F21-R66 VanDerWaalsContact CE1-NH2 3.28Å; F21-R66 HydrophobicContact CZ-CB 4.03Å; F21-R66 PolarHBondContact O-NH2 2.95Å; Y24-R66 PolarHBondContact O-NH1 2.82Å; I43-R66 HydrophobicContact CD1-CB 4.4Å; I43-R66 HydrophobicContact CD1-CG 3.79Å; I43-R66 HydrophobicContact CG2-CB 4.43Å; R44-R66 PolarHBondContact O-NH1 2.98Å; R66-N68 PolarHBondContact NE-OD1 3.11Å; R66-N68 PolarHBondContact NH2-OD1 2.77Å; R66-I72 CarbonylContact C-O 3.41Å; R66-I72 WeakPolarHBondContact CA-O 3.44Å; R66-L73 HydrophobicContact CB-CD1 4.21Å
67	D	95.3	Very high	92.3	Very high	43 Å²	43	42 Å²	42	23%	0.23	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	107.2	168	-177.6	-15.6	0	0	0	108.8	S69 Q70 S71 I72 Y74	D67-S69 WeakPolarHBondContact OD1-CB 3.31Å; D67-S69 PolarHBondContact OD1-N 2.96Å; D67-S69 PolarHBondContact OD1-OG 2.88Å; D67-Q70 HydrophobicContact CB-CB 4.46Å; D67-Q70 PolarHBondContact OD1-N 3.22Å; D67-Q70 VanDerWaalsContact OD2-CD 3.27Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.42Å; D67-Q70 PolarHBondContact OD2-OE1 3.09Å; D67-S71 WeakPolarHBondContact O-CA 3.48Å; D67-S71 PolarHBondContact O-N 2.86Å; D67-I72 PolarHBondContact N-O 2.8Å; D67-I72 PolarHBondContact O-N 3.3Å; D67-Y74 HydrophobicContact CB-CE2 3.81Å
68	N	94	Very high	92.2	Very high	47 Å²	47	43.3 Å²	43.3	25%	0.251	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-24.3	-177.4	-64.6	-34.3	0	0	0	113.2	F21 T22 Y50 R66 Q70	F21-N68 HydrophobicContact CD1-CB 4.39Å; F21-N68 WeakPolarHBondContact CD1-OD1 3.47Å; F21-N68 WeakPolarHBondContact CE1-OD1 3.5Å; T22-N68 HydrophobicContact CG2-CB 3.67Å; Y50-N68 PolarHBondContact OH-ND2 2.8Å; Y50-N68 VanDerWaalsContact OH-ND2 3.13Å; R66-N68 PolarHBondContact NE-OD1 3.11Å; R66-N68 PolarHBondContact NH2-OD1 2.77Å; N68-Q70 VanDerWaalsContact C-N 3.27Å; N68-Q70 PolarHBondContact O-N 3.02Å
69	S	93.8	Very high	92.1	Very high	105 Å²	105	47 Å²	47	73%	0.734	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-30.7	177.6	71.2	0	0	0	0	111.5	D67	D67-S69 WeakPolarHBondContact OD1-CB 3.31Å; D67-S69 PolarHBondContact OD1-N 2.96Å; D67-S69 PolarHBondContact OD1-OG 2.88Å
70	Q	94.9	Very high	91.6	Very high	110 Å²	110	43.2 Å²	43.2	51%	0.514	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-5.9	-179.9	-59	-176.4	-6.2	0	0	113.2	D67 N68 I72	D67-Q70 HydrophobicContact CB-CB 4.46Å; D67-Q70 PolarHBondContact OD1-N 3.22Å; D67-Q70 VanDerWaalsContact OD2-CD 3.27Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.42Å; D67-Q70 PolarHBondContact OD2-OE1 3.09Å; N68-Q70 VanDerWaalsContact C-N 3.27Å; N68-Q70 PolarHBondContact O-N 3.02Å; Q70-I72 VanDerWaalsContact C-N 3.25Å; Q70-I72 HydrophobicContact CB-CB 4.4Å; Q70-I72 HydrophobicContact CB-CD1 3.8Å; Q70-I72 HydrophobicContact CB-CG1 3.75Å; Q70-I72 WeakPolarHBondContact O-CG1 3.18Å; Q70-I72 PolarHBondContact O-N 2.96Å
71	S	95.3	Very high	91.4	Very high	34 Å²	34	45.8 Å²	45.8	24%	0.238	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	41.7	-171	-56.8	0	0	0	0	112.9	T16 D67	T16-S71 PolarHBondContact N-O 3.11Å; T16-S71 WeakPolarHBondContact O-CB 3.18Å; T16-S71 PolarHBondContact OG1-O 2.81Å; D67-S71 WeakPolarHBondContact O-CA 3.48Å; D67-S71 PolarHBondContact O-N 2.86Å
72	I	96.6	Very high	91.1	Very high	28 Å²	28	48.9 Å²	48.9	14%	0.144	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131	-178.4	-58.4	-178.4	0	0	0	110.9	C14 A15 R66 D67 Q70 Y74	C14-I72 CarbonylContact O-C 3.5Å; C14-I72 VanDerWaalsContact O-CA 3.31Å; C14-I72 WeakPolarHBondContact O-CA 3.49Å; A15-I72 HydrophobicContact CB-CG1 4.21Å; R66-I72 CarbonylContact C-O 3.41Å; R66-I72 WeakPolarHBondContact CA-O 3.44Å; D67-I72 PolarHBondContact N-O 2.8Å; D67-I72 PolarHBondContact O-N 3.3Å; Q70-I72 VanDerWaalsContact C-N 3.25Å; Q70-I72 HydrophobicContact CB-CB 4.4Å; Q70-I72 HydrophobicContact CB-CD1 3.8Å; Q70-I72 HydrophobicContact CB-CG1 3.75Å; Q70-I72 WeakPolarHBondContact O-CG1 3.18Å; Q70-I72 PolarHBondContact O-N 2.96Å; I72-Y74 HydrophobicContact CB-CE2 4.07Å; I72-Y74 HydrophobicContact CG2-CD1 4.01Å; I72-Y74 HydrophobicContact CG2-CD2 4.21Å; I72-Y74 HydrophobicContact CG2-CE1 3.53Å; I72-Y74 HydrophobicContact CG2-CE2 3.72Å; I72-Y74 HydrophobicContact CG2-CG 4.34Å
73	L	97.4	Very high	90.6	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	137.3	167.3	-171.8	70.5	0	0	0	109.8	S13 C14 F21 M26 W28 I43 I64 R66 C90	S13-L73 CarbonylContact C-O 3.59Å; S13-L73 WeakPolarHBondContact CA-O 3.19Å; C14-L73 HydrophobicContact CB-CB 4.45Å; C14-L73 PolarHBondContact N-O 3.31Å; C14-L73 PolarHBondContact O-N 3.01Å; F21-L73 HydrophobicContact CZ-CB 4.35Å; M26-L73 HydrophobicContact CB-CD1 3.57Å; M26-L73 HydrophobicContact CB-CD2 3.84Å; M26-L73 HydrophobicContact CB-CG 4.23Å; M26-L73 HydrophobicContact CG-CD1 4.41Å; W28-L73 HydrophobicContact CD2-CD2 4.25Å; W28-L73 HydrophobicContact CG-CD2 4.22Å; W28-L73 HydrophobicContact CZ2-CD2 4.26Å; W28-L73 HydrophobicContact CZ2-CG 4.28Å; W28-L73 VanDerWaalsContact NE1-CD2 3.26Å; W28-L73 VanDerWaalsContact NE1-CG 3.34Å; I43-L73 HydrophobicContact CG2-CD1 3.55Å; I64-L73 HydrophobicContact CG2-CD1 3.92Å; R66-L73 HydrophobicContact CB-CD1 4.21Å; L73-C90 HydrophobicContact CD2-CB 4.06Å
74	Y	96.6	Very high	90.1	Very high	41 Å²	41	52.2 Å²	52.2	16%	0.161	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.4	178.7	-61.9	-76	0	0	0	111.7	R11 L12 W28 I64 S65 D67 I72	R11-Y74 HydrophobicContact CG-CD1 3.9Å; R11-Y74 HydrophobicContact CG-CG 4.45Å; L12-Y74 CarbonylContact O-C 3.57Å; L12-Y74 VanDerWaalsContact O-CA 3.25Å; L12-Y74 WeakPolarHBondContact O-CA 3.25Å; W28-Y74 PolarHBondContact NE1-O 2.75Å; I64-Y74 WeakPolarHBondContact CA-O 3.35Å; S65-Y74 PolarHBondContact N-O 2.94Å; S65-Y74 VanDerWaalsContact N-O 3.11Å; S65-Y74 PolarHBondContact O-N 3.08Å; D67-Y74 HydrophobicContact CB-CE2 3.81Å; I72-Y74 HydrophobicContact CB-CE2 4.07Å; I72-Y74 HydrophobicContact CG2-CD1 4.01Å; I72-Y74 HydrophobicContact CG2-CD2 4.21Å; I72-Y74 HydrophobicContact CG2-CE1 3.53Å; I72-Y74 HydrophobicContact CG2-CE2 3.72Å; I72-Y74 HydrophobicContact CG2-CG 4.34Å
75	L	95	Very high	89.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	107.2	166.8	-169.5	69.2	0	0	0	108.6	R11 L12 W28 L40 F62 I64 M77 Y88	R11-L75 WeakPolarHBondContact CA-O 3.42Å; L12-L75 HydrophobicContact CB-CB 4.23Å; L12-L75 HydrophobicContact CD1-CD2 4.25Å; L12-L75 PolarHBondContact N-O 3.18Å; L12-L75 PolarHBondContact O-N 2.79Å; W28-L75 HydrophobicContact CB-CD1 4.29Å; W28-L75 HydrophobicContact CB-CD2 4.47Å; W28-L75 HydrophobicContact CD2-CB 3.86Å; W28-L75 HydrophobicContact CD2-CD1 4.49Å; W28-L75 HydrophobicContact CD2-CD2 4.15Å; W28-L75 HydrophobicContact CD2-CG 4.4Å; W28-L75 HydrophobicContact CE3-CB 4.47Å; W28-L75 HydrophobicContact CE3-CD2 4.34Å; W28-L75 HydrophobicContact CG-CB 4.16Å; W28-L75 HydrophobicContact CG-CD1 3.93Å; W28-L75 HydrophobicContact CG-CD2 4.22Å; W28-L75 HydrophobicContact CG-CG 4.35Å; W28-L75 HydrophobicContact CH2-CB 4.47Å; W28-L75 HydrophobicContact CZ2-CB 3.86Å; L40-L75 HydrophobicContact CD1-CD2 3.96Å; F62-L75 HydrophobicContact CB-CD1 3.75Å; F62-L75 HydrophobicContact CB-CG 4.37Å; F62-L75 HydrophobicContact CG-CD1 4.27Å; I64-L75 HydrophobicContact CD1-CD1 4.44Å; I64-L75 HydrophobicContact CG1-CD1 3.63Å; L75-M77 HydrophobicContact CD2-CG 4.43Å; L75-M77 HydrophobicContact CG-CG 4.43Å; L75-Y88 HydrophobicContact CD2-CD1 3.8Å; L75-Y88 HydrophobicContact CD2-CE1 3.88Å
76	Q	93.3	Very high	89.6	Confident	23 Å²	23	55.1 Å²	55.1	11%	0.107	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	121.5	171	-170.4	65.9	61.9	0	0	109.1	R10 R11 F62 T63 N78	R10-Q76 PolarHBondContact O-NE2 3.29Å; R11-Q76 VanDerWaalsContact NH2-OE1 3.09Å; F62-Q76 CarbonylContact C-O 3.52Å; F62-Q76 VanDerWaalsContact CA-O 3.25Å; F62-Q76 WeakPolarHBondContact CA-O 3.48Å; T63-Q76 PolarHBondContact N-O 2.65Å; T63-Q76 PolarHBondContact O-N 3.11Å; Q76-N78 WeakPolarHBondContact CG-OD1 3.37Å
77	M	89.8	Confident	89.5	Confident	10 Å²	10	57.2 Å²	57.2	5%	0.049	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	109.5	174.8	-57.8	175.9	-71.1	0	0	108.6	R10 L12 F62 L75 L80 Y88	R10-M77 HydrophobicContact CB-CE 3.69Å; R10-M77 PolarHBondContact N-O 3.34Å; R10-M77 WeakPolarHBondContact O-CB 3.5Å; R10-M77 PolarHBondContact O-N 3.21Å; L12-M77 HydrophobicContact CD1-CE 4.05Å; L12-M77 HydrophobicContact CD1-SD 4.19Å; L12-M77 HydrophobicContact CD2-CE 3.88Å; L12-M77 HydrophobicContact CG-CE 3.64Å; L12-M77 HydrophobicContact CG-SD 4.36Å; F62-M77 HydrophobicContact CD1-CB 4.13Å; F62-M77 HydrophobicContact CD1-CG 3.73Å; F62-M77 HydrophobicContact CE1-CB 4.23Å; F62-M77 HydrophobicContact CE1-CG 3.83Å; F62-M77 HydrophobicContact CE1-SD 4.5Å; L75-M77 HydrophobicContact CD2-CG 4.43Å; L75-M77 HydrophobicContact CG-CG 4.43Å; M77-L80 HydrophobicContact CB-CG 4.43Å; M77-L80 HydrophobicContact CE-CD2 4.45Å; M77-L80 HydrophobicContact SD-CD2 4.23Å; M77-Y88 HydrophobicContact SD-CE1 4.48Å
78	N	82.3	Confident	89.4	Confident	53 Å²	53	57.2 Å²	57.2	28%	0.283	32%	0.322	S	S	.	.	S	Bend	trans	-82.3	-36.8	-173.4	-60.9	-32.3	0	0	0	111.8	F9 R61 T63 Q76	F9-N78 HydrophobicContact CD1-CB 4.31Å; F9-N78 HydrophobicContact CE1-CB 3.97Å; R61-N78 PolarHBondContact O-N 3.18Å; T63-N78 PolarHBondContact OG1-ND2 3.25Å; Q76-N78 WeakPolarHBondContact CG-OD1 3.37Å
79	T	77.4	Confident	89.5	Confident	77 Å²	77	59.7 Å²	59.7	47%	0.472	33%	0.328	S	S	.	.	S	Bend	trans	-134.1	95.4	179.5	-49.3	0	0	0	0	109.3	R81	T79-R81 PolarHBondContact O-N 3.45Å
80	L	77.3	Confident	89.5	Confident	85 Å²	85	56.8 Å²	56.8	45%	0.445	31%	0.307	S	S	.	.			trans	-70.2	124.3	175.4	-91.2	160.3	0	0	0	110.5	R10 M77 D84	R10-L80 HydrophobicContact CB-CD1 3.77Å; R10-L80 HydrophobicContact CG-CD1 3.56Å; M77-L80 HydrophobicContact CB-CG 4.43Å; M77-L80 HydrophobicContact CE-CD2 4.45Å; M77-L80 HydrophobicContact SD-CD2 4.23Å; L80-D84 HydrophobicContact CD2-CB 4.37Å
81	R	82.3	Confident	89.4	Confident	125 Å²	125	53.4 Å²	53.4	47%	0.472	30%	0.298	S	S	.	.			trans	-112	160.4	169.8	-58	-178	-178.6	178.5	-1.6	109.9	T79 E83 D84	T79-R81 PolarHBondContact O-N 3.45Å; R81-E83 HydrophobicContact CB-CB 4.42Å; R81-E83 PolarHBondContact O-N 2.89Å; R81-D84 WeakPolarHBondContact CB-OD2 3.34Å; R81-D84 PolarHBondContact N-OD2 3.19Å; R81-D84 WeakPolarHBondContact O-CB 3.39Å; R81-D84 PolarHBondContact O-N 3.03Å
82	A	80.2	Confident	89.2	Confident	97 Å²	97	54.5 Å²	54.5	80%	0.802	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-56.2	-33.1	173	0	0	0	0	0	111.9	D84 S85	A82-D84 PolarHBondContact O-N 3.38Å; A82-S85 VanDerWaalsContact O-CB 3.3Å; A82-S85 WeakPolarHBondContact O-CB 3.47Å; A82-S85 PolarHBondContact O-N 3.03Å
83	E	80.2	Confident	88.5	Confident	133 Å²	133	56.9 Å²	56.9	62%	0.621	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-64.5	-19.4	176.2	-57.1	164.6	-120.7	0	0	113.9	R81 S85	R81-E83 HydrophobicContact CB-CB 4.42Å; R81-E83 PolarHBondContact O-N 2.89Å; E83-S85 VanDerWaalsContact C-N 3.26Å
84	D	83.2	Confident	87.2	Confident	4 Å²	4	62.8 Å²	62.8	2%	0.021	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-86.6	1.7	178.8	-58.7	-44.3	0	0	0	112.2	R30 R61 L80 R81 A82 A86 Y88	R30-D84 IonicContact CZ-OD1 2.75Å; R30-D84 IonicContact NH1-OD1 3.35Å; R30-D84 PolarHBondContact NH1-OD1 3.26Å; R61-D84 IonicContact CZ-OD1 2.81Å; R61-D84 VanDerWaalsContact NH1-CG 3.25Å; R61-D84 IonicContact NH1-OD1 3.88Å; R61-D84 PolarHBondContact NH1-OD1 2.87Å; R61-D84 IonicContact NH1-OD2 2.6Å; R61-D84 PolarHBondContact NH1-OD2 3Å; R61-D84 IonicContact NH2-OD1 3.4Å; R61-D84 PolarHBondContact NH2-OD1 3Å; L80-D84 HydrophobicContact CD2-CB 4.37Å; R81-D84 WeakPolarHBondContact CB-OD2 3.34Å; R81-D84 PolarHBondContact N-OD2 3.19Å; R81-D84 WeakPolarHBondContact O-CB 3.39Å; R81-D84 PolarHBondContact O-N 3.03Å; A82-D84 PolarHBondContact O-N 3.38Å; D84-A86 PolarHBondContact O-N 3.33Å; D84-A86 VanDerWaalsContact O-N 3.08Å; D84-Y88 WeakPolarHBondContact O-CE2 3.39Å; D84-Y88 PolarHBondContact O-OH 3.09Å
85	S	88.6	Confident	85.1	Confident	88 Å²	88	66.7 Å²	66.7	62%	0.615	36%	0.356	S	S	*	.			trans	-69.5	101.2	170.2	-169.2	0	0	0	0	110.1	P33 A82 E83	P33-S85 WeakPolarHBondContact CD-O 3.44Å; A82-S85 VanDerWaalsContact O-CB 3.3Å; A82-S85 WeakPolarHBondContact O-CB 3.47Å; A82-S85 PolarHBondContact O-N 3.03Å; E83-S85 VanDerWaalsContact C-N 3.26Å
86	A	91.9	Very high	83.2	Confident	22 Å²	22	74.3 Å²	74.3	18%	0.182	39%	0.386	C	S	.	.	S	Bend	trans	-155.5	163.5	-175.9	0	0	0	0	0	109.9	R30 Q31 P32 D84 Y88	R30-A86 HydrophobicContact CB-CB 3.98Å; R30-A86 HydrophobicContact CG-CB 4.42Å; Q31-A86 WeakPolarHBondContact O-CA 3.45Å; Q31-A86 WeakPolarHBondContact O-CB 3.03Å; P32-A86 HydrophobicContact CG-CB 4.43Å; D84-A86 PolarHBondContact O-N 3.33Å; D84-A86 VanDerWaalsContact O-N 3.08Å; A86-Y88 HydrophobicContact CB-CE2 4.07Å; A86-Y88 WeakPolarHBondContact O-CD2 3.25Å; A86-Y88 VanDerWaalsContact O-CE2 3.3Å; A86-Y88 WeakPolarHBondContact O-CE2 3.45Å
87	T	94.1	Very high	80.8	Confident	77 Å²	77	76.8 Å²	76.8	47%	0.472	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	131.4	163.8	-55.8	0	0	0	0	108.6	R30 Q31 Y89	R30-T87 CarbonylContact C-O 3.57Å; R30-T87 VanDerWaalsContact CA-O 3.25Å; R30-T87 WeakPolarHBondContact CA-O 3.5Å; Q31-T87 PolarHBondContact N-O 2.95Å; Q31-T87 PolarHBondContact O-N 3.19Å; T87-Y89 HydrophobicContact CG2-CD1 4.49Å; T87-Y89 HydrophobicContact CG2-CE1 3.73Å; T87-Y89 HydrophobicContact CG2-CE2 3.79Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.32Å
88	Y	94.3	Very high	78.5	Confident	43 Å²	43	87 Å²	87	17%	0.169	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137	-178.8	-69.9	-101.2	0	0	0	110.4	L12 V29 R30 L40 L75 M77 D84 A86	L12-Y88 HydrophobicContact CD1-CD1 3.73Å; L12-Y88 HydrophobicContact CD1-CD2 3.76Å; L12-Y88 HydrophobicContact CD1-CE1 4.31Å; L12-Y88 HydrophobicContact CD1-CE2 4.36Å; L12-Y88 HydrophobicContact CD1-CG 3.43Å; L12-Y88 VanDerWaalsContact CD1-CG 3.43Å; V29-Y88 WeakPolarHBondContact O-CA 3.24Å; R30-Y88 HydrophobicContact CB-CD1 3.9Å; R30-Y88 HydrophobicContact CB-CE1 3.9Å; R30-Y88 HydrophobicContact CB-CG 4.35Å; L40-Y88 HydrophobicContact CD1-CD1 3.91Å; L40-Y88 HydrophobicContact CD1-CE1 3.64Å; L75-Y88 HydrophobicContact CD2-CD1 3.8Å; L75-Y88 HydrophobicContact CD2-CE1 3.88Å; M77-Y88 HydrophobicContact SD-CE1 4.48Å; D84-Y88 WeakPolarHBondContact O-CE2 3.39Å; D84-Y88 PolarHBondContact O-OH 3.09Å; A86-Y88 HydrophobicContact CB-CE2 4.07Å; A86-Y88 WeakPolarHBondContact O-CD2 3.25Å; A86-Y88 VanDerWaalsContact O-CE2 3.3Å; A86-Y88 WeakPolarHBondContact O-CE2 3.45Å
89	Y	94.6	Very high	78.3	Confident	99 Å²	99	88.7 Å²	88.7	39%	0.388	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.3	-178.4	-53	-83.1	0	0	0	109.7	W28 V29 Q31 L37 T87	W28-Y89 WeakPolarHBondContact CA-O 3.44Å; V29-Y89 PolarHBondContact N-O 3.39Å; V29-Y89 PolarHBondContact O-N 2.99Å; Q31-Y89 HydrophobicContact CB-CE2 3.79Å; Q31-Y89 PolarHBondContact OE1-OH 3.27Å; L37-Y89 HydrophobicContact CD2-CD2 3.95Å; L37-Y89 HydrophobicContact CD2-CE2 3.93Å; T87-Y89 HydrophobicContact CG2-CD1 4.49Å; T87-Y89 HydrophobicContact CG2-CE1 3.73Å; T87-Y89 HydrophobicContact CG2-CE2 3.79Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.32Å
90	C	94.5	Very high	78.4	Confident	44 Å²	44	89.3 Å²	89.3	30%	0.297	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	144.7	165.9	49.8	0	0	0	0	109.2	C14 S27 L73	C14-C90 HydrophobicContact CB-CB 3.47Å; C14-C90 VanDerWaalsContact CB-CB 3.47Å; C14-C90 WeakPolarHBondContact CB-SG 3.43Å; C14-C90 WeakPolarHBondContact SG-CB 3.5Å; C14-C90 CovalentContact SG-SG 2Å; C14-C90 PolarHBondContact SG-SG 2.83Å; S27-C90 CarbonylContact O-C 3.5Å; S27-C90 VanDerWaalsContact O-CA 3.26Å; S27-C90 WeakPolarHBondContact O-CA 3.31Å; L73-C90 HydrophobicContact CD2-CB 4.06Å
91	A	93.2	Very high	78.5	Confident	39 Å²	39	89.6 Å²	89.6	32%	0.322	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	138	177.1	0	0	0	0	0	110.5	S27	S27-A91 PolarHBondContact N-O 3.46Å; S27-A91 PolarHBondContact O-N 3.5Å
92	S	91.3	Very high	78.2	Confident	57 Å²	57	87.5 Å²	87.5	40%	0.399	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128	171.8	59.5	0	0	0	0	109.7	Y25	Y25-S92 WeakPolarHBondContact O-CA 3.41Å
93	L	81.4	Confident	78.1	Confident	78 Å²	78	86.9 Å²	86.9	41%	0.408	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.7	175.5	-74.5	160.3	0	0	0	109.9	Y25 S27	Y25-L93 PolarHBondContact N-O 3.13Å; Y25-L93 VanDerWaalsContact N-O 3.12Å; Y25-L93 PolarHBondContact O-N 2.86Å; S27-L93 VanDerWaalsContact OG-CD1 3.31Å; S27-L93 WeakPolarHBondContact OG-CD1 3.42Å
94	W	70.4	Confident	78	Confident	124 Å²	124	83.8 Å²	83.8	47%	0.47	44%	0.439	S	S	.	.			trans	-86.5	140.4	168.7	-111.1	43.5	0	0	0	110.9	Y24 Y96 A97	Y24-W94 AromaticContact CD1-CD1 3.17Å; Y24-W94 HydrophobicContact CD1-CG 4.43Å; Y24-W94 AromaticContact CD1-NE1 3.47Å; Y24-W94 AromaticContact CD2-NE1 3.58Å; Y24-W94 AromaticContact CE1-CD1 2.94Å; Y24-W94 HydrophobicContact CE1-CG 4.14Å; Y24-W94 AromaticContact CE1-NE1 3Å; Y24-W94 AromaticContact CE2-CD1 3.9Å; Y24-W94 AromaticContact CE2-NE1 3.1Å; Y24-W94 AromaticContact CG-CD1 3.78Å; Y24-W94 AromaticContact CG-NE1 3.76Å; Y24-W94 AromaticContact CZ-CD1 3.35Å; Y24-W94 AromaticContact CZ-CE2 3.79Å; Y24-W94 AromaticContact CZ-NE1 2.78Å; Y24-W94 PolarHBondContact OH-NE1 3.08Å; Y24-W94 VanDerWaalsContact OH-NE1 3.09Å; W94-Y96 AromaticContact CE3-CD2 3.81Å; W94-Y96 HydrophobicContact CE3-CD2 3.81Å; W94-Y96 AromaticContact CZ3-CD2 3.89Å; W94-Y96 HydrophobicContact CZ3-CD2 3.89Å; W94-Y96 HydrophobicContact CZ3-CE2 4.32Å; W94-Y96 PolarHBondContact O-N 3.12Å; W94-Y96 VanDerWaalsContact O-N 3.09Å; W94-A97 PolarHBondContact O-N 3.26Å
95	Y	52.3	Low	77.6	Confident	122 Å²	122	89.5 Å²	89.5	48%	0.478	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.5	-176.3	81.4	-88.3	0	0	0	114
96	Y	54.2	Low	76.8	Confident	160 Å²	160	89.6 Å²	89.6	63%	0.627	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	0.6	176.3	-70.7	-64.2	0	0	0	114.6	W94 M98	W94-Y96 AromaticContact CE3-CD2 3.81Å; W94-Y96 HydrophobicContact CE3-CD2 3.81Å; W94-Y96 AromaticContact CZ3-CD2 3.89Å; W94-Y96 HydrophobicContact CZ3-CD2 3.89Å; W94-Y96 HydrophobicContact CZ3-CE2 4.32Å; W94-Y96 PolarHBondContact O-N 3.12Å; W94-Y96 VanDerWaalsContact O-N 3.09Å; Y96-M98 VanDerWaalsContact C-N 3.26Å; Y96-M98 PolarHBondContact O-N 2.63Å
97	A	43.5	Very low	75.5	Confident	76 Å²	76	95.3 Å²	95.3	63%	0.628	48%	0.48	S	S	*	.			trans	-91.1	24.9	178.3	0	0	0	0	0	113.3	W94	W94-A97 PolarHBondContact O-N 3.26Å
98	M	42.1	Very low	73.8	Confident	224 Å²	224	96.9 Å²	96.9	100%	1.103	48%	0.481	S	S	*	.			trans	-132.2	0	168.8	-76	-173.5	-86.2	0	0	109.6	Y96	Y96-M98 VanDerWaalsContact C-N 3.26Å; Y96-M98 PolarHBondContact O-N 2.63Å

Retrieved 98 of 98 residues in 25.3 ms (Link to these results)

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