X5J4J4_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4J4, Species MOUSE (Mus musculus, Mouse), Gene Ighv7-3, Length 97 aa.

						>X5J4J4_MOUSE|X5J4J4|Ighv7-3
GGLVQPGGSLRLSCATSGFTFTDYYMSWVRQPPGKALEWLGFIRNKANGYTTEYSASVKGRFTISRDNSQSILYLQMNTLRAEDSATYYCASNWYYA
					

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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	62.1	Low	86	Confident	111 Å²	111	87.6 Å²	87.6	100%	1.144	57%	0.569	S	S	*	*				0	158.3	0	0	0	0	0	0	109.1
2	G	77.4	Confident	86.9	Confident	52 Å²	52	81.8 Å²	81.8	54%	0.536	53%	0.529	S	S	.	.			trans	-115.1	164.3	178.6	0	0	0	0	0	112.1
3	L	81.6	Confident	87.8	Confident	181 Å²	181	82 Å²	82	95%	0.948	53%	0.534	S	S	*	.			trans	-72.3	129.8	170.7	-176.6	68.9	0	0	0	109.3
4	V	86.6	Confident	88.4	Confident	54 Å²	54	77.3 Å²	77.3	33%	0.327	50%	0.503	S	S	.	.			trans	-132.6	140.7	178.8	-175.4	0	0	0	0	108.8	L10 L80	V4-L10 HydrophobicContact CG2-CB 4.09Å; V4-L10 HydrophobicContact CG2-CD1 4.09Å; V4-L10 HydrophobicContact CG2-CD2 4.41Å; V4-L10 HydrophobicContact CG2-CG 4.42Å; V4-L80 HydrophobicContact CB-CD1 4.23Å; V4-L80 HydrophobicContact CG1-CD1 4.25Å
5	Q	85.2	Confident	89	Confident	157 Å²	157	77.5 Å²	77.5	73%	0.734	51%	0.514	S	S	*	.			trans	-65	148.8	174.6	-70	-75.8	-8	0	0	110.8	G8	Q5-G8 PolarHBondContact O-N 3.2Å
6	P	85.7	Confident	89.2	Confident	91 Å²	91	74.4 Å²	74.4	59%	0.591	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	143.4	170.8	-25.4	34.7	0	0	0	112.1	G8	P6-G8 PolarHBondContact O-N 3.24Å
7	G	87.7	Confident	89.4	Confident	55 Å²	55	76.4 Å²	76.4	57%	0.567	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-16	-173.4	0	0	0	0	0	114.3	L80	G7-L80 PolarHBondContact N-O 3.31Å
8	G	92.4	Very high	89.4	Confident	24 Å²	24	77.1 Å²	77.1	25%	0.247	53%	0.531	C	S	.	.			trans	-72.4	179.4	176.3	0	0	0	0	0	114	Q5 P6 T79 L80	Q5-G8 PolarHBondContact O-N 3.2Å; P6-G8 PolarHBondContact O-N 3.24Å; G8-T79 PolarHBondContact O-N 3.04Å; G8-L80 WeakPolarHBondContact O-CB 3.25Å; G8-L80 PolarHBondContact O-N 3.34Å
9	S	94.8	Very high	89.5	Confident	64 Å²	64	76.1 Å²	76.1	45%	0.448	52%	0.516	S	S	.	.			trans	-123.7	147.5	175.4	-62.2	0	0	0	0	111.4	M77 N78	S9-M77 CarbonylContact C-O 3.51Å; S9-M77 WeakPolarHBondContact CA-O 3.12Å; S9-M77 WeakPolarHBondContact CB-O 3.43Å; S9-N78 WeakPolarHBondContact OG-CA 3.32Å; S9-N78 PolarHBondContact OG-OD1 3.31Å; S9-N78 VanDerWaalsContact OG-OD1 3.1Å
10	L	95.3	Very high	89.6	Confident	37 Å²	37	76.4 Å²	76.4	19%	0.194	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146.9	174.7	-177.5	61.5	0	0	0	109.2	V4 L12 M77 L80	V4-L10 HydrophobicContact CG2-CB 4.09Å; V4-L10 HydrophobicContact CG2-CD1 4.09Å; V4-L10 HydrophobicContact CG2-CD2 4.41Å; V4-L10 HydrophobicContact CG2-CG 4.42Å; L10-L12 HydrophobicContact CD2-CD2 3.65Å; L10-L12 HydrophobicContact CD2-CG 4.38Å; L10-L12 HydrophobicContact CG-CD2 4.07Å; L10-M77 HydrophobicContact CD2-CE 4.4Å; L10-M77 PolarHBondContact N-O 2.92Å; L10-M77 WeakPolarHBondContact O-CB 3.37Å; L10-M77 PolarHBondContact O-N 2.98Å; L10-L80 HydrophobicContact CB-CD1 3.87Å
11	R	96.8	Very high	89.8	Confident	138 Å²	138	72.9 Å²	72.9	52%	0.521	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.5	167.1	-167.6	172.9	175.4	-178.6	-2.6	109.6	Y74 L75	R11-Y74 VanDerWaalsContact NH2-CG 3.26Å; R11-L75 WeakPolarHBondContact CA-O 3.44Å
12	L	97.7	Very high	91.3	Very high	18 Å²	18	70.3 Å²	70.3	9%	0.094	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	147.1	169.2	-57.1	-179.4	0	0	0	109.7	L10 W28 Y74 L75 M77 Y88	L10-L12 HydrophobicContact CD2-CD2 3.65Å; L10-L12 HydrophobicContact CD2-CG 4.38Å; L10-L12 HydrophobicContact CG-CD2 4.07Å; L12-W28 HydrophobicContact CB-CH2 3.78Å; L12-W28 HydrophobicContact CB-CZ2 4.3Å; L12-W28 HydrophobicContact CB-CZ3 4.29Å; L12-W28 HydrophobicContact CD1-CZ3 4.21Å; L12-Y74 VanDerWaalsContact O-CA 3.27Å; L12-Y74 WeakPolarHBondContact O-CA 3.27Å; L12-L75 HydrophobicContact CB-CB 4.28Å; L12-L75 HydrophobicContact CD1-CD2 4.42Å; L12-L75 PolarHBondContact N-O 2.84Å; L12-L75 PolarHBondContact O-N 3.03Å; L12-M77 HydrophobicContact CD1-SD 3.62Å; L12-M77 HydrophobicContact CG-SD 3.76Å; L12-Y88 HydrophobicContact CD1-CD1 3.85Å; L12-Y88 HydrophobicContact CD1-CD2 4.11Å; L12-Y88 HydrophobicContact CD1-CG 3.59Å
13	S	97.8	Very high	92	Very high	84 Å²	84	72.4 Å²	72.4	59%	0.587	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.3	169.4	56.5	0	0	0	0	109.5	L73	S13-L73 CarbonylContact C-O 3.54Å; S13-L73 WeakPolarHBondContact CA-O 3.4Å
14	C	97.1	Very high	92.5	Very high	16 Å²	16	65.2 Å²	65.2	11%	0.108	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	109.5	172.1	161	0	0	0	0	108.6	T16 W28 I72 L73 C90	C14-T16 VanDerWaalsContact SG-CG2 3.57Å; C14-W28 HydrophobicContact CB-CH2 3.9Å; C14-W28 HydrophobicContact CB-CZ2 4.18Å; C14-I72 CarbonylContact O-C 3.56Å; C14-I72 VanDerWaalsContact O-CA 3.31Å; C14-I72 WeakPolarHBondContact O-CA 3.49Å; C14-L73 HydrophobicContact CB-CB 4.44Å; C14-L73 PolarHBondContact N-O 2.97Å; C14-L73 PolarHBondContact O-N 2.8Å; C14-C90 HydrophobicContact CB-CB 3.47Å; C14-C90 VanDerWaalsContact CB-CB 3.47Å; C14-C90 WeakPolarHBondContact CB-SG 3.36Å; C14-C90 WeakPolarHBondContact SG-CB 3.46Å; C14-C90 CovalentContact SG-SG 2Å; C14-C90 PolarHBondContact SG-SG 2.91Å
15	A	96.3	Very high	92.9	Very high	81 Å²	81	64.2 Å²	64.2	67%	0.669	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	135.4	169	0	0	0	0	0	109.2	I72	A15-I72 HydrophobicContact CB-CG1 4.18Å
16	T	92.4	Very high	93.5	Very high	27 Å²	27	56.8 Å²	56.8	17%	0.166	37%	0.369	C	S	.	.			trans	-122.3	152.4	-177.3	60.2	0	0	0	0	110.9	C14 F19 F21 M26 S71	C14-T16 VanDerWaalsContact SG-CG2 3.57Å; T16-F19 HydrophobicContact CG2-CE1 4.35Å; T16-F19 HydrophobicContact CG2-CZ 4.14Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.4Å; T16-M26 HydrophobicContact CG2-CE 4.09Å; T16-S71 PolarHBondContact N-O 2.83Å; T16-S71 PolarHBondContact OG1-O 2.78Å
17	S	92.3	Very high	94	Very high	109 Å²	109	52.5 Å²	52.5	76%	0.762	34%	0.341	S	S	*	.			trans	-149.1	166	177.4	61.5	0	0	0	0	109.9
18	G	90.6	Very high	94.5	Very high	88 Å²	88	50.1 Å²	50.1	91%	0.907	32%	0.315	S	S	*	.	S	Bend	trans	86.7	3.8	177.1	0	0	0	0	0	115.7
19	F	90	Very high	94.7	Very high	59 Å²	59	50.2 Å²	50.2	26%	0.259	31%	0.311	S	S	.	.	S	Bend	trans	-153.6	163.7	172.3	64.9	-82.7	0	0	0	111.1	T16 F21 Y24 M26	T16-F19 HydrophobicContact CG2-CE1 4.35Å; T16-F19 HydrophobicContact CG2-CZ 4.14Å; F19-F21 HydrophobicContact CE2-CB 4.3Å; F19-F21 HydrophobicContact CE2-CD2 4.14Å; F19-F21 HydrophobicContact CZ-CD2 4.19Å; F19-F21 PolarHBondContact O-N 3.17Å; F19-Y24 HydrophobicContact CB-CE2 4.11Å; F19-Y24 AromaticContact CD2-CD2 3.45Å; F19-Y24 HydrophobicContact CD2-CD2 3.45Å; F19-Y24 VanDerWaalsContact CD2-CD2 3.45Å; F19-Y24 AromaticContact CD2-CE2 3.73Å; F19-Y24 HydrophobicContact CD2-CE2 3.73Å; F19-Y24 AromaticContact CD2-CG 3.91Å; F19-Y24 HydrophobicContact CD2-CG 3.91Å; F19-Y24 HydrophobicContact CE2-CD2 4.02Å; F19-Y24 HydrophobicContact CE2-CG 4.1Å; F19-Y24 HydrophobicContact CG-CD2 4.47Å; F19-Y24 HydrophobicContact CG-CE2 4.36Å; F19-M26 HydrophobicContact CE2-SD 3.9Å; F19-M26 HydrophobicContact CZ-CE 3.98Å; F19-M26 HydrophobicContact CZ-SD 3.98Å
20	T	92.3	Very high	94.9	Very high	81 Å²	81	47.8 Å²	47.8	50%	0.497	29%	0.292	S	S	.	.			trans	-75.8	86.5	177.2	-50.5	0	0	0	0	110.4	T22 D23 Y24	T20-T22 WeakPolarHBondContact CG2-OG1 3.49Å; T20-T22 PolarHBondContact O-N 2.66Å; T20-D23 WeakPolarHBondContact CB-OD2 3.21Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.41Å; T20-D23 PolarHBondContact O-N 2.78Å; T20-Y24 VanDerWaalsContact O-CD2 3.26Å; T20-Y24 WeakPolarHBondContact O-CD2 3.23Å
21	F	93.1	Very high	95	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.018	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-45.9	-38.1	-174.4	-179.3	-102.1	0	0	0	114.3	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 4.14Å; F19-F21 HydrophobicContact CZ-CD2 4.19Å; F19-F21 PolarHBondContact O-N 3.17Å; F21-D23 PolarHBondContact O-N 2.78Å; F21-Y24 PolarHBondContact O-N 2.6Å; F21-M26 HydrophobicContact CD2-CE 4.25Å; F21-M26 HydrophobicContact CD2-CG 4.13Å; F21-M26 HydrophobicContact CD2-SD 3.93Å; F21-M26 HydrophobicContact CE2-CE 3.9Å; F21-M26 HydrophobicContact CE2-CG 3.57Å; F21-M26 HydrophobicContact CE2-SD 3.84Å; F21-M26 HydrophobicContact CZ-CG 4.02Å; F21-R66 HydrophobicContact CE1-CB 4.08Å; F21-R66 HydrophobicContact CZ-CB 4.03Å; F21-R66 PolarHBondContact O-NH2 2.86Å; F21-N68 WeakPolarHBondContact CD1-OD1 3.28Å; F21-N68 VanDerWaalsContact CE1-OD1 3.23Å; F21-N68 WeakPolarHBondContact CE1-OD1 3.48Å; F21-L73 HydrophobicContact CE2-CB 4.47Å; F21-L73 HydrophobicContact CZ-CB 4.41Å
22	T	93.8	Very high	95	Very high	56 Å²	56	43.8 Å²	43.8	34%	0.344	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-61	-24.2	-178.9	56.4	0	0	0	0	114.6	T20 N45 N68	T20-T22 WeakPolarHBondContact CG2-OG1 3.49Å; T20-T22 PolarHBondContact O-N 2.66Å; T22-N45 VanDerWaalsContact O-CB 3.25Å; T22-N45 WeakPolarHBondContact O-CB 3.27Å; T22-N68 HydrophobicContact CG2-CB 3.88Å
23	D	91.9	Very high	94.9	Very high	96 Å²	96	48.2 Å²	48.2	51%	0.513	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-90.9	-20.1	-171.9	-59.5	-12.1	0	0	0	111.6	T20 F21 N45	T20-D23 WeakPolarHBondContact CB-OD2 3.21Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.41Å; T20-D23 PolarHBondContact O-N 2.78Å; F21-D23 PolarHBondContact O-N 2.78Å; D23-N45 PolarHBondContact O-ND2 2.86Å
24	Y	93	Very high	94.8	Very high	30 Å²	30	48.6 Å²	48.6	12%	0.118	33%	0.327	C	S	.	.	S	Bend	trans	-96.5	150.9	-173.1	-69.2	-102	0	0	0	112.7	F19 T20 F21 R66 W94	F19-Y24 HydrophobicContact CB-CE2 4.11Å; F19-Y24 AromaticContact CD2-CD2 3.45Å; F19-Y24 HydrophobicContact CD2-CD2 3.45Å; F19-Y24 VanDerWaalsContact CD2-CD2 3.45Å; F19-Y24 AromaticContact CD2-CE2 3.73Å; F19-Y24 HydrophobicContact CD2-CE2 3.73Å; F19-Y24 AromaticContact CD2-CG 3.91Å; F19-Y24 HydrophobicContact CD2-CG 3.91Å; F19-Y24 HydrophobicContact CE2-CD2 4.02Å; F19-Y24 HydrophobicContact CE2-CG 4.1Å; F19-Y24 HydrophobicContact CG-CD2 4.47Å; F19-Y24 HydrophobicContact CG-CE2 4.36Å; T20-Y24 VanDerWaalsContact O-CD2 3.26Å; T20-Y24 WeakPolarHBondContact O-CD2 3.23Å; F21-Y24 PolarHBondContact O-N 2.6Å; Y24-R66 PolarHBondContact O-NH1 2.79Å; Y24-W94 HydrophobicContact CD1-CD2 4.43Å; Y24-W94 HydrophobicContact CD1-CG 4.48Å; Y24-W94 HydrophobicContact CE1-CB 4.36Å; Y24-W94 AromaticContact CE1-CD2 3.44Å; Y24-W94 HydrophobicContact CE1-CD2 3.44Å; Y24-W94 VanDerWaalsContact CE1-CD2 3.44Å; Y24-W94 AromaticContact CE1-CE2 3.93Å; Y24-W94 AromaticContact CE1-CE3 3.38Å; Y24-W94 HydrophobicContact CE1-CE3 3.38Å; Y24-W94 AromaticContact CE1-CG 3.91Å; Y24-W94 HydrophobicContact CE1-CG 3.91Å; Y24-W94 HydrophobicContact CE1-CH2 4.29Å; Y24-W94 HydrophobicContact CE1-CZ2 4.32Å; Y24-W94 AromaticContact CE1-CZ3 3.83Å; Y24-W94 HydrophobicContact CE1-CZ3 3.83Å; Y24-W94 AromaticContact CZ-CD2 3.97Å; Y24-W94 AromaticContact CZ-CE3 3.84Å; Y24-W94 AromaticContact CZ-CH2 3.88Å; Y24-W94 AromaticContact CZ-CZ2 3.98Å; Y24-W94 AromaticContact CZ-CZ3 3.78Å; Y24-W94 WeakPolarHBondContact OH-CH2 3.43Å; Y24-W94 WeakPolarHBondContact OH-CZ2 3.43Å; Y24-W94 WeakPolarHBondContact OH-CZ3 3.36Å
25	Y	95.3	Very high	94.8	Very high	33 Å²	33	54.7 Å²	54.7	13%	0.129	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	146	159.3	-59.6	-4.8	0	0	0	108	I43 R44 N45 N48 N93	Y25-I43 WeakPolarHBondContact CA-O 3.02Å; Y25-R44 HydrophobicContact CD1-CB 3.84Å; Y25-R44 HydrophobicContact CD1-CG 4.24Å; Y25-R44 HydrophobicContact CD2-CG 4.19Å; Y25-R44 HydrophobicContact CE1-CB 3.71Å; Y25-R44 HydrophobicContact CE1-CG 4.06Å; Y25-R44 HydrophobicContact CE2-CG 4.03Å; Y25-R44 HydrophobicContact CG-CB 4.33Å; Y25-R44 HydrophobicContact CG-CG 4.31Å; Y25-R44 PolarHBondContact OH-NH1 3.18Å; Y25-N45 HydrophobicContact CD1-CB 4.17Å; Y25-N45 VanDerWaalsContact CD1-N 3.3Å; Y25-N45 HydrophobicContact CE1-CB 4.31Å; Y25-N48 HydrophobicContact CE1-CB 4.25Å; Y25-N48 PolarHBondContact OH-ND2 3.47Å; Y25-N48 VanDerWaalsContact OH-ND2 3.13Å; Y25-N48 PolarHBondContact OH-OD1 3.09Å; Y25-N93 PolarHBondContact N-O 3.47Å; Y25-N93 PolarHBondContact O-N 2.86Å
26	M	96.5	Very high	94.8	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.5	-175.7	-62.1	-57.1	-54.4	0	0	109.5	T16 F19 F21 F42 I43 L73	T16-M26 HydrophobicContact CG2-CE 4.09Å; F19-M26 HydrophobicContact CE2-SD 3.9Å; F19-M26 HydrophobicContact CZ-CE 3.98Å; F19-M26 HydrophobicContact CZ-SD 3.98Å; F21-M26 HydrophobicContact CD2-CE 4.25Å; F21-M26 HydrophobicContact CD2-CG 4.13Å; F21-M26 HydrophobicContact CD2-SD 3.93Å; F21-M26 HydrophobicContact CE2-CE 3.9Å; F21-M26 HydrophobicContact CE2-CG 3.57Å; F21-M26 HydrophobicContact CE2-SD 3.84Å; F21-M26 HydrophobicContact CZ-CG 4.02Å; M26-F42 CarbonylContact O-C 3.48Å; M26-F42 WeakPolarHBondContact O-CA 3.19Å; M26-F42 WeakPolarHBondContact O-CB 2.79Å; M26-I43 HydrophobicContact CB-CG2 4.11Å; M26-I43 PolarHBondContact N-O 2.74Å; M26-I43 PolarHBondContact O-N 3.28Å; M26-L73 HydrophobicContact CB-CD1 3.59Å; M26-L73 HydrophobicContact CB-CD2 3.85Å; M26-L73 HydrophobicContact CB-CG 4.25Å; M26-L73 HydrophobicContact CG-CD1 4.43Å
27	S	97	Very high	95	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	151.7	-174.7	-71.8	0	0	0	0	112.1	G41 F42 C90 A91 N93	S27-G41 VanDerWaalsContact CA-O 3.32Å; S27-G41 WeakPolarHBondContact CA-O 3.34Å; S27-F42 VanDerWaalsContact OG-CB 3.28Å; S27-F42 WeakPolarHBondContact OG-CB 3.02Å; S27-C90 CarbonylContact O-C 3.49Å; S27-C90 VanDerWaalsContact O-CA 3.29Å; S27-C90 WeakPolarHBondContact O-CA 3.35Å; S27-A91 PolarHBondContact N-O 3.18Å; S27-A91 PolarHBondContact O-N 3.07Å; S27-N93 PolarHBondContact OG-ND2 3.34Å
28	W	98.1	Very high	95.2	Very high	6 Å²	6	56.3 Å²	56.3	2%	0.023	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.8	162.6	-77	97.1	0	0	0	110.1	L12 C14 L40 G41 L73 Y74 L75 Y89 C90	L12-W28 HydrophobicContact CB-CH2 3.78Å; L12-W28 HydrophobicContact CB-CZ2 4.3Å; L12-W28 HydrophobicContact CB-CZ3 4.29Å; L12-W28 HydrophobicContact CD1-CZ3 4.21Å; C14-W28 HydrophobicContact CB-CH2 3.9Å; C14-W28 HydrophobicContact CB-CZ2 4.18Å; W28-L40 HydrophobicContact CB-CB 4.29Å; W28-L40 WeakPolarHBondContact O-CB 3.24Å; W28-L40 PolarHBondContact O-N 3.39Å; W28-G41 PolarHBondContact N-O 2.93Å; W28-L73 HydrophobicContact CD2-CD2 4.29Å; W28-L73 HydrophobicContact CG-CD2 4.27Å; W28-L73 HydrophobicContact CZ2-CD2 4.24Å; W28-L73 HydrophobicContact CZ2-CG 4.26Å; W28-L73 VanDerWaalsContact NE1-CD2 3.25Å; W28-Y74 PolarHBondContact NE1-O 3.18Å; W28-L75 HydrophobicContact CB-CD1 4.49Å; W28-L75 HydrophobicContact CB-CD2 4.38Å; W28-L75 HydrophobicContact CD2-CB 3.89Å; W28-L75 HydrophobicContact CD2-CD2 4.06Å; W28-L75 HydrophobicContact CD2-CG 4.44Å; W28-L75 HydrophobicContact CE3-CD2 4.32Å; W28-L75 HydrophobicContact CG-CB 4.17Å; W28-L75 HydrophobicContact CG-CD1 4.1Å; W28-L75 HydrophobicContact CG-CD2 4.09Å; W28-L75 HydrophobicContact CG-CG 4.36Å; W28-L75 HydrophobicContact CZ2-CB 3.87Å; W28-Y89 WeakPolarHBondContact CA-O 3.25Å; W28-C90 HydrophobicContact CZ3-CB 4.47Å
29	V	97.7	Very high	95.5	Very high	26 Å²	26	56.6 Å²	56.6	16%	0.158	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.1	177.3	-174.3	0	0	0	0	107.2	L37 E38 Y89	V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.67Å; V29-L37 HydrophobicContact CG1-CG 4.23Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.36Å; V29-E38 WeakPolarHBondContact CG1-O 3.37Å; V29-Y89 PolarHBondContact N-O 2.83Å; V29-Y89 PolarHBondContact O-N 3.23Å
30	R	97.4	Very high	95.9	Very high	13 Å²	13	53.9 Å²	53.9	5%	0.049	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	153.8	171.5	71.1	175.2	177.5	-162.6	-0.8	111.9	L37 E38 L40 D84 A86 T87 Y88	R30-L37 WeakPolarHBondContact O-CA 3.39Å; R30-E38 HydrophobicContact CG-CB 4.13Å; R30-E38 IonicContact CZ-OE1 3.98Å; R30-E38 IonicContact CZ-OE2 3.93Å; R30-E38 VanDerWaalsContact CZ-OE2 3.24Å; R30-E38 PolarHBondContact N-O 2.69Å; R30-E38 IonicContact NE-OE1 3.42Å; R30-E38 IonicContact NE-OE2 3.95Å; R30-E38 PolarHBondContact NE-OE2 3.25Å; R30-E38 IonicContact NH2-OE1 2.83Å; R30-E38 PolarHBondContact NH2-OE1 2.9Å; R30-E38 VanDerWaalsContact NH2-OE1 3.17Å; R30-E38 IonicContact NH2-OE2 3.17Å; R30-E38 PolarHBondContact NH2-OE2 3.15Å; R30-E38 PolarHBondContact O-N 3.41Å; R30-L40 HydrophobicContact CB-CD1 4.05Å; R30-L40 HydrophobicContact CB-CG 4.39Å; R30-L40 HydrophobicContact CG-CD1 4.11Å; R30-L40 HydrophobicContact CG-CD2 3.8Å; R30-L40 HydrophobicContact CG-CG 4.08Å; R30-D84 IonicContact CZ-OD1 3.24Å; R30-D84 IonicContact NH1-OD1 2.83Å; R30-D84 PolarHBondContact NH1-OD1 3.25Å; R30-A86 HydrophobicContact CB-CB 3.84Å; R30-A86 HydrophobicContact CG-CB 4.2Å; R30-T87 CarbonylContact C-O 3.45Å; R30-T87 WeakPolarHBondContact CA-O 3.47Å; R30-Y88 HydrophobicContact CB-CD1 4.04Å; R30-Y88 HydrophobicContact CB-CE1 4.03Å; R30-Y88 HydrophobicContact CB-CG 4.34Å
31	Q	97.7	Very high	96.2	Very high	73 Å²	73	50 Å²	50	34%	0.341	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	104.2	171.4	-166.9	175.9	23.7	0	0	109.7	K35 L37 A86 T87 Y89	Q31-K35 WeakPolarHBondContact CG-O 3.34Å; Q31-K35 PolarHBondContact NE2-O 2.92Å; Q31-L37 HydrophobicContact CB-CD2 3.8Å; Q31-L37 HydrophobicContact CG-CD2 4.34Å; Q31-A86 WeakPolarHBondContact O-CA 3.31Å; Q31-A86 WeakPolarHBondContact O-CB 3.46Å; Q31-T87 PolarHBondContact N-O 3.46Å; Q31-T87 PolarHBondContact O-N 2.89Å; Q31-Y89 HydrophobicContact CB-CE2 3.9Å
32	P	96.5	Very high	96.4	Very high	18 Å²	18	51 Å²	51	12%	0.117	29%	0.291	C	S	.	.			trans	-65.2	151.9	168.8	-18.1	31.1	0	0	0	110.8	G34 K35 A86	P32-G34 PolarHBondContact O-N 3.17Å; P32-K35 HydrophobicContact CB-CB 4.09Å; P32-K35 HydrophobicContact CB-CD 3.99Å; P32-K35 HydrophobicContact CB-CG 4.22Å; P32-K35 HydrophobicContact CG-CB 4.3Å; P32-K35 HydrophobicContact CG-CD 4.28Å; P32-K35 PolarHBondContact O-N 3.03Å; P32-A86 HydrophobicContact CG-CB 4.38Å
33	P	95.9	Very high	96.6	Very high	110 Å²	110	48.8 Å²	48.8	71%	0.714	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	126.6	178.1	-25.7	34.3	0	0	0	112.2	K35	P33-K35 PolarHBondContact O-N 3.3Å
34	G	96.8	Very high	96.7	Very high	93 Å²	93	46.2 Å²	46.2	96%	0.959	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	11.2	179.5	0	0	0	0	0	115.5	P32	P32-G34 PolarHBondContact O-N 3.17Å
35	K	96.5	Very high	96.8	Very high	144 Å²	144	45.7 Å²	45.7	63%	0.626	26%	0.259	S	S	*	.	S	Bend	trans	-118.2	164.5	179.9	-60.1	-168.4	-176	177.9	0	112.4	Q31 P32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.34Å; Q31-K35 PolarHBondContact NE2-O 2.92Å; P32-K35 HydrophobicContact CB-CB 4.09Å; P32-K35 HydrophobicContact CB-CD 3.99Å; P32-K35 HydrophobicContact CB-CG 4.22Å; P32-K35 HydrophobicContact CG-CB 4.3Å; P32-K35 HydrophobicContact CG-CD 4.28Å; P32-K35 PolarHBondContact O-N 3.03Å; P33-K35 PolarHBondContact O-N 3.3Å
36	A	96.3	Very high	96.6	Very high	82 Å²	82	51.1 Å²	51.1	68%	0.678	28%	0.283	S	S	*	.			trans	-67.8	166	171.5	0	0	0	0	0	111.6
37	L	96.7	Very high	96.5	Very high	111 Å²	111	55.3 Å²	55.3	58%	0.581	32%	0.318	S	S	*	.			trans	-65.4	135.2	173.3	-72.2	165.7	0	0	0	110.9	V29 R30 Q31 Y89	V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.67Å; V29-L37 HydrophobicContact CG1-CG 4.23Å; R30-L37 WeakPolarHBondContact O-CA 3.39Å; Q31-L37 HydrophobicContact CB-CD2 3.8Å; Q31-L37 HydrophobicContact CG-CD2 4.34Å; L37-Y89 HydrophobicContact CD2-CD2 4.02Å; L37-Y89 HydrophobicContact CD2-CE2 4.11Å
38	E	96.8	Very high	96.3	Very high	57 Å²	57	58.4 Å²	58.4	27%	0.266	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.5	175.6	-176.2	-169.3	167.9	0	0	109.3	V29 R30 L40 S57	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.36Å; V29-E38 WeakPolarHBondContact CG1-O 3.37Å; R30-E38 HydrophobicContact CG-CB 4.13Å; R30-E38 IonicContact CZ-OE1 3.98Å; R30-E38 IonicContact CZ-OE2 3.93Å; R30-E38 VanDerWaalsContact CZ-OE2 3.24Å; R30-E38 PolarHBondContact N-O 2.69Å; R30-E38 IonicContact NE-OE1 3.42Å; R30-E38 IonicContact NE-OE2 3.95Å; R30-E38 PolarHBondContact NE-OE2 3.25Å; R30-E38 IonicContact NH2-OE1 2.83Å; R30-E38 PolarHBondContact NH2-OE1 2.9Å; R30-E38 VanDerWaalsContact NH2-OE1 3.17Å; R30-E38 IonicContact NH2-OE2 3.17Å; R30-E38 PolarHBondContact NH2-OE2 3.15Å; R30-E38 PolarHBondContact O-N 3.41Å; E38-L40 HydrophobicContact CG-CD2 4.5Å; E38-S57 WeakPolarHBondContact OE1-CB 3.46Å; E38-S57 PolarHBondContact OE1-OG 3.06Å
39	W	97.2	Very high	96.1	Very high	95 Å²	95	60.7 Å²	60.7	36%	0.36	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	133.1	171.8	175.2	84	0	0	0	110.7	G41 F42 E53 S55	W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 VanDerWaalsContact CE2-CA 3.44Å; W39-G41 PolarHBondContact NE1-O 2.85Å; W39-F42 HydrophobicContact CH2-CD1 4.42Å; W39-F42 HydrophobicContact CZ2-CB 4.41Å; W39-F42 AromaticContact CZ2-CD1 3.45Å; W39-F42 HydrophobicContact CZ2-CD1 3.45Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.45Å; W39-F42 HydrophobicContact CZ2-CE1 4.08Å; W39-F42 HydrophobicContact CZ2-CG 4.27Å; W39-E53 HydrophobicContact CH2-CB 4.18Å; W39-S55 WeakPolarHBondContact O-CB 3.44Å
40	L	97.6	Very high	96	Very high	1 Å²	1	64 Å²	64	1%	0.005	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-34.5	-177.8	-63	-173.5	0	0	0	113.5	W28 R30 E38 Y54 S55 V58 F62 L75 Y88	W28-L40 HydrophobicContact CB-CB 4.29Å; W28-L40 WeakPolarHBondContact O-CB 3.24Å; W28-L40 PolarHBondContact O-N 3.39Å; R30-L40 HydrophobicContact CB-CD1 4.05Å; R30-L40 HydrophobicContact CB-CG 4.39Å; R30-L40 HydrophobicContact CG-CD1 4.11Å; R30-L40 HydrophobicContact CG-CD2 3.8Å; R30-L40 HydrophobicContact CG-CG 4.08Å; E38-L40 HydrophobicContact CG-CD2 4.5Å; L40-Y54 WeakPolarHBondContact O-CA 3.37Å; L40-S55 PolarHBondContact O-N 3.34Å; L40-S55 PolarHBondContact O-OG 3.06Å; L40-V58 HydrophobicContact CB-CG2 4.28Å; L40-V58 HydrophobicContact CD2-CG1 3.81Å; L40-V58 VanDerWaalsContact O-CG2 3.24Å; L40-V58 WeakPolarHBondContact O-CG2 3.18Å; L40-F62 HydrophobicContact CD1-CE2 4.37Å; L40-L75 HydrophobicContact CD1-CD2 4.33Å; L40-Y88 HydrophobicContact CD1-CD1 3.86Å; L40-Y88 HydrophobicContact CD1-CE1 3.5Å; L40-Y88 VanDerWaalsContact CD1-CE1 3.5Å
41	G	97.6	Very high	96	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.8	166.5	-172.9	0	0	0	0	0	112.2	S27 W28 W39 E53	S27-G41 VanDerWaalsContact CA-O 3.32Å; S27-G41 WeakPolarHBondContact CA-O 3.34Å; W28-G41 PolarHBondContact N-O 2.93Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 VanDerWaalsContact CE2-CA 3.44Å; W39-G41 PolarHBondContact NE1-O 2.85Å; G41-E53 CarbonylContact C-O 3.51Å; G41-E53 WeakPolarHBondContact CA-O 2.91Å
42	F	97.6	Very high	96	Very high	25 Å²	25	65.9 Å²	65.9	11%	0.11	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	162.7	169.5	71.2	-109.3	0	0	0	112	M26 S27 W39 R44 T52 E53	M26-F42 CarbonylContact O-C 3.48Å; M26-F42 WeakPolarHBondContact O-CA 3.19Å; M26-F42 WeakPolarHBondContact O-CB 2.79Å; S27-F42 VanDerWaalsContact OG-CB 3.28Å; S27-F42 WeakPolarHBondContact OG-CB 3.02Å; W39-F42 HydrophobicContact CH2-CD1 4.42Å; W39-F42 HydrophobicContact CZ2-CB 4.41Å; W39-F42 AromaticContact CZ2-CD1 3.45Å; W39-F42 HydrophobicContact CZ2-CD1 3.45Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.45Å; W39-F42 HydrophobicContact CZ2-CE1 4.08Å; W39-F42 HydrophobicContact CZ2-CG 4.27Å; F42-R44 HydrophobicContact CD2-CG 4.02Å; F42-R44 HydrophobicContact CE2-CG 3.48Å; F42-R44 VanDerWaalsContact CE2-CG 3.48Å; F42-T52 VanDerWaalsContact O-CA 3.29Å; F42-T52 WeakPolarHBondContact O-CA 3.29Å; F42-E53 HydrophobicContact CD1-CB 4.35Å; F42-E53 HydrophobicContact CE1-CB 3.84Å; F42-E53 HydrophobicContact CE1-CG 4.19Å; F42-E53 HydrophobicContact CE2-CB 4.32Å; F42-E53 HydrophobicContact CE2-CG 4.26Å; F42-E53 HydrophobicContact CZ-CB 3.83Å; F42-E53 HydrophobicContact CZ-CG 3.74Å; F42-E53 VanDerWaalsContact CZ-OE1 3.27Å; F42-E53 WeakPolarHBondContact CZ-OE1 3Å; F42-E53 PolarHBondContact N-O 2.93Å; F42-E53 PolarHBondContact O-N 3.39Å; F42-E53 VanDerWaalsContact O-N 3.16Å
43	I	97.6	Very high	96	Very high	10 Å²	10	69.4 Å²	69.4	5%	0.051	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.9	166.5	-174.2	160.8	0	0	0	109.7	Y25 M26 T52 I64 R66 L73	Y25-I43 WeakPolarHBondContact CA-O 3.02Å; M26-I43 HydrophobicContact CB-CG2 4.11Å; M26-I43 PolarHBondContact N-O 2.74Å; M26-I43 PolarHBondContact O-N 3.28Å; I43-T52 HydrophobicContact CB-CG2 3.83Å; I43-T52 HydrophobicContact CD1-CG2 3.91Å; I43-T52 HydrophobicContact CG1-CG2 3.75Å; I43-I64 HydrophobicContact CB-CG2 3.78Å; I43-I64 HydrophobicContact CG2-CG2 3.6Å; I43-R66 HydrophobicContact CD1-CG 3.87Å; I43-R66 HydrophobicContact CG1-CG 4.45Å; I43-R66 HydrophobicContact CG2-CB 4.38Å; I43-R66 HydrophobicContact CG2-CG 4.46Å; I43-L73 HydrophobicContact CG2-CD1 3.6Å
44	R	95.8	Very high	96.1	Very high	41 Å²	41	66.7 Å²	66.7	16%	0.155	38%	0.379	C	S	.	.			trans	-70.9	166.3	176.3	-57.8	-161.9	-178.3	-141.2	-3	111.2	Y25 F42 N48 T51 E53 R66	Y25-R44 HydrophobicContact CD1-CB 3.84Å; Y25-R44 HydrophobicContact CD1-CG 4.24Å; Y25-R44 HydrophobicContact CD2-CG 4.19Å; Y25-R44 HydrophobicContact CE1-CB 3.71Å; Y25-R44 HydrophobicContact CE1-CG 4.06Å; Y25-R44 HydrophobicContact CE2-CG 4.03Å; Y25-R44 HydrophobicContact CG-CB 4.33Å; Y25-R44 HydrophobicContact CG-CG 4.31Å; Y25-R44 PolarHBondContact OH-NH1 3.18Å; F42-R44 HydrophobicContact CD2-CG 4.02Å; F42-R44 HydrophobicContact CE2-CG 3.48Å; F42-R44 VanDerWaalsContact CE2-CG 3.48Å; R44-N48 HydrophobicContact CB-CB 3.72Å; R44-N48 HydrophobicContact CG-CB 4.33Å; R44-T51 VanDerWaalsContact CD-OG1 3.25Å; R44-T51 WeakPolarHBondContact CD-OG1 3.4Å; R44-T51 WeakPolarHBondContact CG-OG1 3.28Å; R44-T51 PolarHBondContact N-O 2.95Å; R44-E53 IonicContact NH2-OE1 2.78Å; R44-E53 PolarHBondContact NH2-OE1 2Å; R44-R66 PolarHBondContact O-NH1 3.37Å
45	N	94.1	Very high	96.1	Very high	19 Å²	19	63 Å²	63	10%	0.102	34%	0.339	C	S	.	.			trans	-72.9	175.2	174.4	69.3	4.8	0	0	0	112.3	T22 D23 Y25 A47 N48 G49 Y50 R66	T22-N45 VanDerWaalsContact O-CB 3.25Å; T22-N45 WeakPolarHBondContact O-CB 3.27Å; D23-N45 PolarHBondContact O-ND2 2.86Å; Y25-N45 HydrophobicContact CD1-CB 4.17Å; Y25-N45 VanDerWaalsContact CD1-N 3.3Å; Y25-N45 HydrophobicContact CE1-CB 4.31Å; N45-A47 VanDerWaalsContact C-N 3.28Å; N45-A47 PolarHBondContact O-N 3.16Å; N45-A47 PolarHBondContact OD1-N 2.83Å; N45-N48 CarbonylContact O-C 3.47Å; N45-N48 PolarHBondContact O-N 3.33Å; N45-N48 VanDerWaalsContact O-N 3.12Å; N45-N48 PolarHBondContact OD1-N 2.94Å; N45-N48 PolarHBondContact OD1-ND2 2.96Å; N45-G49 PolarHBondContact O-N 3.47Å; N45-Y50 PolarHBondContact O-N 2.86Å; N45-R66 VanDerWaalsContact CA-NH1 3.34Å
46	K	92.4	Very high	96.2	Very high	147 Å²	147	61 Å²	61	64%	0.639	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-58.3	-41	-179.5	-174.3	176.8	178.6	-176.7	0	112.1	N48 G49 Y50	K46-N48 PolarHBondContact O-N 3.13Å; K46-G49 PolarHBondContact O-N 2.87Å; K46-Y50 VanDerWaalsContact CA-CE1 3.49Å; K46-Y50 HydrophobicContact CB-CE1 3.76Å; K46-Y50 HydrophobicContact CB-CE2 4.17Å; K46-Y50 VanDerWaalsContact CB-CZ 3.5Å; K46-Y50 WeakPolarHBondContact CB-OH 3.32Å; K46-Y50 HydrophobicContact CG-CE1 4.39Å; K46-Y50 HydrophobicContact CG-CE2 3.9Å; K46-Y50 WeakPolarHBondContact CG-OH 3.45Å
47	A	92.6	Very high	96.1	Very high	90 Å²	90	59.1 Å²	59.1	74%	0.744	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-60.4	-26.4	-179.6	0	0	0	0	0	112.6	N45	N45-A47 VanDerWaalsContact C-N 3.28Å; N45-A47 PolarHBondContact O-N 3.16Å; N45-A47 PolarHBondContact OD1-N 2.83Å
48	N	93.8	Very high	96.1	Very high	66 Å²	66	53.9 Å²	53.9	35%	0.353	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-106.3	25.2	179.4	-69	-89.7	0	0	0	112.5	Y25 R44 N45 K46 Y50 T51	Y25-N48 HydrophobicContact CE1-CB 4.25Å; Y25-N48 PolarHBondContact OH-ND2 3.47Å; Y25-N48 VanDerWaalsContact OH-ND2 3.13Å; Y25-N48 PolarHBondContact OH-OD1 3.09Å; R44-N48 HydrophobicContact CB-CB 3.72Å; R44-N48 HydrophobicContact CG-CB 4.33Å; N45-N48 CarbonylContact O-C 3.47Å; N45-N48 PolarHBondContact O-N 3.33Å; N45-N48 VanDerWaalsContact O-N 3.12Å; N45-N48 PolarHBondContact OD1-N 2.94Å; N45-N48 PolarHBondContact OD1-ND2 2.96Å; K46-N48 PolarHBondContact O-N 3.13Å; N48-Y50 VanDerWaalsContact C-N 3.32Å; N48-Y50 PolarHBondContact O-N 3.25Å; N48-T51 PolarHBondContact O-OG1 3.45Å
49	G	94.4	Very high	96.1	Very high	54 Å²	54	58.4 Å²	58.4	56%	0.557	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	17.2	168.8	0	0	0	0	0	115.6	N45 K46 T51	N45-G49 PolarHBondContact O-N 3.47Å; K46-G49 PolarHBondContact O-N 2.87Å; G49-T51 PolarHBondContact O-N 2.78Å; G49-T51 VanDerWaalsContact O-N 3.1Å
50	Y	95.9	Very high	96.1	Very high	94 Å²	94	57.8 Å²	57.8	37%	0.369	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	27.2	-177.4	-56.4	-63	0	0	0	114.4	N45 K46 N48 R66 N68	N45-Y50 PolarHBondContact O-N 2.86Å; K46-Y50 VanDerWaalsContact CA-CE1 3.49Å; K46-Y50 HydrophobicContact CB-CE1 3.76Å; K46-Y50 HydrophobicContact CB-CE2 4.17Å; K46-Y50 VanDerWaalsContact CB-CZ 3.5Å; K46-Y50 WeakPolarHBondContact CB-OH 3.32Å; K46-Y50 HydrophobicContact CG-CE1 4.39Å; K46-Y50 HydrophobicContact CG-CE2 3.9Å; K46-Y50 WeakPolarHBondContact CG-OH 3.45Å; N48-Y50 VanDerWaalsContact C-N 3.32Å; N48-Y50 PolarHBondContact O-N 3.25Å; Y50-R66 HydrophobicContact CD1-CG 4.41Å; Y50-R66 HydrophobicContact CE1-CG 4.44Å; Y50-N68 PolarHBondContact OH-ND2 2.85Å
51	T	96.4	Very high	96.1	Very high	72 Å²	72	58.7 Å²	58.7	44%	0.442	35%	0.349	S	S	.	.			trans	-62.5	147.7	178.2	53	0	0	0	0	110.6	R44 N48 G49	R44-T51 VanDerWaalsContact CD-OG1 3.25Å; R44-T51 WeakPolarHBondContact CD-OG1 3.4Å; R44-T51 WeakPolarHBondContact CG-OG1 3.28Å; R44-T51 PolarHBondContact N-O 2.95Å; N48-T51 PolarHBondContact O-OG1 3.45Å; G49-T51 PolarHBondContact O-N 2.78Å; G49-T51 VanDerWaalsContact O-N 3.1Å
52	T	97.4	Very high	96.1	Very high	54 Å²	54	58.9 Å²	58.9	33%	0.331	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.5	-177.8	51.2	0	0	0	0	110.5	F42 I43 Y54	F42-T52 VanDerWaalsContact O-CA 3.29Å; F42-T52 WeakPolarHBondContact O-CA 3.29Å; I43-T52 HydrophobicContact CB-CG2 3.83Å; I43-T52 HydrophobicContact CD1-CG2 3.91Å; I43-T52 HydrophobicContact CG1-CG2 3.75Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.19Å; T52-Y54 PolarHBondContact OG1-OH 3.01Å
53	E	97.1	Very high	96.1	Very high	92 Å²	92	61 Å²	61	43%	0.43	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145	171.1	-68	-179.4	-142.6	0	0	108.5	W39 G41 F42 R44	W39-E53 HydrophobicContact CH2-CB 4.18Å; G41-E53 CarbonylContact C-O 3.51Å; G41-E53 WeakPolarHBondContact CA-O 2.91Å; F42-E53 HydrophobicContact CD1-CB 4.35Å; F42-E53 HydrophobicContact CE1-CB 3.84Å; F42-E53 HydrophobicContact CE1-CG 4.19Å; F42-E53 HydrophobicContact CE2-CB 4.32Å; F42-E53 HydrophobicContact CE2-CG 4.26Å; F42-E53 HydrophobicContact CZ-CB 3.83Å; F42-E53 HydrophobicContact CZ-CG 3.74Å; F42-E53 VanDerWaalsContact CZ-OE1 3.27Å; F42-E53 WeakPolarHBondContact CZ-OE1 3Å; F42-E53 PolarHBondContact N-O 2.93Å; F42-E53 PolarHBondContact O-N 3.39Å; F42-E53 VanDerWaalsContact O-N 3.16Å; R44-E53 IonicContact NH2-OE1 2.78Å; R44-E53 PolarHBondContact NH2-OE1 2Å
54	Y	98.1	Very high	96.1	Very high	53 Å²	53	60.9 Å²	60.9	21%	0.208	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.2	-175.2	-61.4	-88.4	0	0	0	109.8	L40 T52 V58 F62 I64	L40-Y54 WeakPolarHBondContact O-CA 3.37Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.19Å; T52-Y54 PolarHBondContact OG1-OH 3.01Å; Y54-V58 HydrophobicContact CD1-CG2 4.36Å; Y54-F62 VanDerWaalsContact CE1-O 3.28Å; Y54-F62 WeakPolarHBondContact CE1-O 3.45Å; Y54-I64 HydrophobicContact CD1-CD1 4.41Å; Y54-I64 HydrophobicContact CE1-CB 4.37Å; Y54-I64 HydrophobicContact CE1-CD1 4.05Å; Y54-I64 HydrophobicContact CE1-CG1 3.86Å; Y54-I64 PolarHBondContact OH-N 2.87Å
55	S	97.2	Very high	96.3	Very high	17 Å²	17	61 Å²	61	12%	0.119	37%	0.371	C	S	.	.			trans	-66.2	155.5	168	74.3	0	0	0	0	110.4	W39 L40 S57 V58 K59	W39-S55 WeakPolarHBondContact O-CB 3.44Å; L40-S55 PolarHBondContact O-N 3.34Å; L40-S55 PolarHBondContact O-OG 3.06Å; S55-S57 PolarHBondContact O-N 3.05Å; S55-S57 VanDerWaalsContact O-N 3.15Å; S55-S57 PolarHBondContact OG-OG 2.97Å; S55-V58 PolarHBondContact O-N 3.46Å; S55-K59 WeakPolarHBondContact O-CB 3.27Å; S55-K59 PolarHBondContact O-N 3.16Å
56	A	96.9	Very high	96.4	Very high	101 Å²	101	61.6 Å²	61.6	84%	0.835	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.8	178.8	0	0	0	0	0	112.9	V58	A56-V58 VanDerWaalsContact C-N 3.3Å; A56-V58 PolarHBondContact O-N 3.32Å
57	S	94.9	Very high	96.6	Very high	42 Å²	42	56.6 Å²	56.6	29%	0.294	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-24	-177.4	58.6	0	0	0	0	113.7	E38 S55 R61	E38-S57 WeakPolarHBondContact OE1-CB 3.46Å; E38-S57 PolarHBondContact OE1-OG 3.06Å; S55-S57 PolarHBondContact O-N 3.05Å; S55-S57 VanDerWaalsContact O-N 3.15Å; S55-S57 PolarHBondContact OG-OG 2.97Å; S57-R61 PolarHBondContact O-NH2 3.38Å
58	V	96.8	Very high	96.7	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-7.9	-175	-57.1	0	0	0	0	114.4	L40 Y54 S55 A56 G60 R61 F62	L40-V58 HydrophobicContact CB-CG2 4.28Å; L40-V58 HydrophobicContact CD2-CG1 3.81Å; L40-V58 VanDerWaalsContact O-CG2 3.24Å; L40-V58 WeakPolarHBondContact O-CG2 3.18Å; Y54-V58 HydrophobicContact CD1-CG2 4.36Å; S55-V58 PolarHBondContact O-N 3.46Å; A56-V58 VanDerWaalsContact C-N 3.3Å; A56-V58 PolarHBondContact O-N 3.32Å; V58-G60 PolarHBondContact O-N 3Å; V58-R61 PolarHBondContact O-N 2.98Å; V58-F62 HydrophobicContact CB-CB 4.04Å; V58-F62 HydrophobicContact CB-CD1 4.39Å; V58-F62 HydrophobicContact CB-CD2 3.54Å; V58-F62 HydrophobicContact CB-CE2 4.02Å; V58-F62 HydrophobicContact CB-CG 3.75Å; V58-F62 HydrophobicContact CG1-CD2 3.48Å; V58-F62 VanDerWaalsContact CG1-CD2 3.48Å; V58-F62 HydrophobicContact CG1-CE2 3.44Å; V58-F62 VanDerWaalsContact CG1-CE2 3.44Å; V58-F62 HydrophobicContact CG1-CG 4.13Å; V58-F62 HydrophobicContact CG1-CZ 4.04Å; V58-F62 HydrophobicContact CG2-CB 4.35Å; V58-F62 HydrophobicContact CG2-CD2 4.17Å; V58-F62 HydrophobicContact CG2-CG 4.47Å; V58-F62 PolarHBondContact O-N 2.96Å
59	K	96.8	Very high	96.8	Very high	153 Å²	153	56 Å²	56	67%	0.665	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	129.9	179.2	-169.6	171.1	-174.6	175.2	0	111.1	S55 R61	S55-K59 WeakPolarHBondContact O-CB 3.27Å; S55-K59 PolarHBondContact O-N 3.16Å; K59-R61 VanDerWaalsContact C-N 3.25Å; K59-R61 PolarHBondContact O-N 3.01Å
60	G	96.6	Very high	96.9	Very high	81 Å²	81	58.6 Å²	58.6	84%	0.835	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	-6.6	-178.4	0	0	0	0	0	115.3	V58	V58-G60 PolarHBondContact O-N 3Å
61	R	97.3	Very high	96.9	Very high	21 Å²	21	55.9 Å²	55.9	8%	0.079	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-38.9	177.8	-59.3	-168.4	-57.9	115.9	0.2	112.3	S57 V58 K59 N78 T79 D84	S57-R61 PolarHBondContact O-NH2 3.38Å; V58-R61 PolarHBondContact O-N 2.98Å; K59-R61 VanDerWaalsContact C-N 3.25Å; K59-R61 PolarHBondContact O-N 3.01Å; R61-N78 WeakPolarHBondContact O-CB 3.29Å; R61-N78 PolarHBondContact O-N 3.1Å; R61-T79 WeakPolarHBondContact CG-OG1 3.46Å; R61-T79 PolarHBondContact NH1-O 2.93Å; R61-D84 IonicContact CZ-OD1 3.83Å; R61-D84 IonicContact CZ-OD2 2.69Å; R61-D84 IonicContact NH1-OD1 2.92Å; R61-D84 IonicContact NH1-OD2 3.25Å; R61-D84 PolarHBondContact NH1-OD2 2.99Å; R61-D84 IonicContact NH2-OD1 3.46Å; R61-D84 PolarHBondContact NH2-OD1 3.04Å; R61-D84 IonicContact NH2-OD2 3.84Å; R61-D84 PolarHBondContact NH2-OD2 2.88Å
62	F	97.9	Very high	97	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.018	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	148.5	-177.4	-64.2	6.5	0	0	0	110.7	L40 Y54 V58 L75 Q76 M77 L80 D84 Y88	L40-F62 HydrophobicContact CD1-CE2 4.37Å; Y54-F62 VanDerWaalsContact CE1-O 3.28Å; Y54-F62 WeakPolarHBondContact CE1-O 3.45Å; V58-F62 HydrophobicContact CB-CB 4.04Å; V58-F62 HydrophobicContact CB-CD1 4.39Å; V58-F62 HydrophobicContact CB-CD2 3.54Å; V58-F62 HydrophobicContact CB-CE2 4.02Å; V58-F62 HydrophobicContact CB-CG 3.75Å; V58-F62 HydrophobicContact CG1-CD2 3.48Å; V58-F62 VanDerWaalsContact CG1-CD2 3.48Å; V58-F62 HydrophobicContact CG1-CE2 3.44Å; V58-F62 VanDerWaalsContact CG1-CE2 3.44Å; V58-F62 HydrophobicContact CG1-CG 4.13Å; V58-F62 HydrophobicContact CG1-CZ 4.04Å; V58-F62 HydrophobicContact CG2-CB 4.35Å; V58-F62 HydrophobicContact CG2-CD2 4.17Å; V58-F62 HydrophobicContact CG2-CG 4.47Å; V58-F62 PolarHBondContact O-N 2.96Å; F62-L75 HydrophobicContact CB-CD1 4.1Å; F62-L75 HydrophobicContact CD2-CD1 4.27Å; F62-L75 HydrophobicContact CD2-CD2 4.11Å; F62-L75 HydrophobicContact CD2-CG 4.38Å; F62-L75 HydrophobicContact CE2-CD2 4.5Å; F62-Q76 CarbonylContact C-O 3.58Å; F62-Q76 WeakPolarHBondContact CA-O 3.22Å; F62-M77 HydrophobicContact CD1-CB 3.87Å; F62-M77 HydrophobicContact CD1-CG 4.08Å; F62-M77 HydrophobicContact CD2-CG 3.98Å; F62-M77 HydrophobicContact CE1-CB 3.76Å; F62-M77 HydrophobicContact CE1-CG 4.05Å; F62-M77 HydrophobicContact CE2-CG 3.92Å; F62-M77 HydrophobicContact CG-CB 4.36Å; F62-M77 HydrophobicContact CG-CG 4.08Å; F62-M77 HydrophobicContact CZ-CB 4.11Å; F62-M77 HydrophobicContact CZ-CE 4.31Å; F62-M77 HydrophobicContact CZ-CG 3.97Å; F62-L80 HydrophobicContact CE1-CD2 4.14Å; F62-L80 HydrophobicContact CZ-CD2 4.07Å; F62-D84 HydrophobicContact CZ-CB 4.21Å; F62-Y88 HydrophobicContact CE2-CE1 4.35Å
63	T	98.4	Very high	97	Very high	70 Å²	70	51.2 Å²	51.2	43%	0.429	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	122.2	177.1	-52.5	0	0	0	0	109.6	Q76	T63-Q76 PolarHBondContact N-O 2.78Å; T63-Q76 PolarHBondContact O-N 3Å
64	I	98.4	Very high	97.1	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.036	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133.6	174.5	-60.6	170.4	0	0	0	108.5	I43 Y54 L73 Y74 L75	I43-I64 HydrophobicContact CB-CG2 3.78Å; I43-I64 HydrophobicContact CG2-CG2 3.6Å; Y54-I64 HydrophobicContact CD1-CD1 4.41Å; Y54-I64 HydrophobicContact CE1-CB 4.37Å; Y54-I64 HydrophobicContact CE1-CD1 4.05Å; Y54-I64 HydrophobicContact CE1-CG1 3.86Å; Y54-I64 PolarHBondContact OH-N 2.87Å; I64-L73 HydrophobicContact CG2-CD1 3.86Å; I64-Y74 WeakPolarHBondContact CA-O 3.4Å; I64-L75 HydrophobicContact CD1-CD1 4.42Å; I64-L75 HydrophobicContact CG1-CD1 3.56Å
65	S	98.2	Very high	97.1	Very high	43 Å²	43	46.1 Å²	46.1	30%	0.301	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	161.8	172.2	63.2	0	0	0	0	110.7	Y74	S65-Y74 PolarHBondContact N-O 2.89Å; S65-Y74 VanDerWaalsContact N-O 3.12Å; S65-Y74 PolarHBondContact O-N 3.43Å
66	R	97.4	Very high	97.2	Very high	31 Å²	31	47.9 Å²	47.9	12%	0.117	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.8	-175.9	62.7	-173.9	-71.8	165	6.6	111.2	F21 Y24 I43 R44 N45 Y50 N68 I72 L73	F21-R66 HydrophobicContact CE1-CB 4.08Å; F21-R66 HydrophobicContact CZ-CB 4.03Å; F21-R66 PolarHBondContact O-NH2 2.86Å; Y24-R66 PolarHBondContact O-NH1 2.79Å; I43-R66 HydrophobicContact CD1-CG 3.87Å; I43-R66 HydrophobicContact CG1-CG 4.45Å; I43-R66 HydrophobicContact CG2-CB 4.38Å; I43-R66 HydrophobicContact CG2-CG 4.46Å; R44-R66 PolarHBondContact O-NH1 3.37Å; N45-R66 VanDerWaalsContact CA-NH1 3.34Å; Y50-R66 HydrophobicContact CD1-CG 4.41Å; Y50-R66 HydrophobicContact CE1-CG 4.44Å; R66-N68 VanDerWaalsContact CZ-OD1 3.26Å; R66-N68 PolarHBondContact NE-OD1 3.28Å; R66-N68 PolarHBondContact NH2-OD1 3.03Å; R66-I72 WeakPolarHBondContact CA-O 3.48Å; R66-L73 HydrophobicContact CB-CD1 4.19Å
67	D	96.7	Very high	97.2	Very high	43 Å²	43	43.3 Å²	43.3	23%	0.23	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	107	168.7	-176.3	-15.7	0	0	0	109	S69 Q70 S71 I72 Y74	D67-S69 VanDerWaalsContact C-N 3.34Å; D67-S69 WeakPolarHBondContact OD1-CB 3.26Å; D67-S69 PolarHBondContact OD1-N 2.71Å; D67-S69 PolarHBondContact OD1-OG 3.19Å; D67-Q70 HydrophobicContact CB-CB 4.45Å; D67-Q70 PolarHBondContact O-N 2.97Å; D67-Q70 PolarHBondContact OD1-N 3.2Å; D67-Q70 VanDerWaalsContact OD2-CD 3.25Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.31Å; D67-S71 WeakPolarHBondContact O-CA 3.35Å; D67-S71 PolarHBondContact O-N 3.12Å; D67-I72 PolarHBondContact N-O 2.77Å; D67-I72 PolarHBondContact O-N 2.77Å; D67-Y74 HydrophobicContact CB-CE2 3.89Å
68	N	95.3	Very high	97.2	Very high	37 Å²	37	43.9 Å²	43.9	20%	0.198	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-25.9	-178.5	-74.8	-13	0	0	0	113.2	F21 T22 Y50 R66 Q70	F21-N68 WeakPolarHBondContact CD1-OD1 3.28Å; F21-N68 VanDerWaalsContact CE1-OD1 3.23Å; F21-N68 WeakPolarHBondContact CE1-OD1 3.48Å; T22-N68 HydrophobicContact CG2-CB 3.88Å; Y50-N68 PolarHBondContact OH-ND2 2.85Å; R66-N68 VanDerWaalsContact CZ-OD1 3.26Å; R66-N68 PolarHBondContact NE-OD1 3.28Å; R66-N68 PolarHBondContact NH2-OD1 3.03Å; N68-Q70 PolarHBondContact O-N 2.87Å
69	S	94.9	Very high	97.1	Very high	105 Å²	105	47.4 Å²	47.4	73%	0.734	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-27.2	178.3	70.9	0	0	0	0	111.9	D67	D67-S69 VanDerWaalsContact C-N 3.34Å; D67-S69 WeakPolarHBondContact OD1-CB 3.26Å; D67-S69 PolarHBondContact OD1-N 2.71Å; D67-S69 PolarHBondContact OD1-OG 3.19Å
70	Q	96.3	Very high	97	Very high	110 Å²	110	41 Å²	41	51%	0.514	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-5.6	-178.6	-58.6	-177.3	0.9	0	0	113.2	D67 N68 I72	D67-Q70 HydrophobicContact CB-CB 4.45Å; D67-Q70 PolarHBondContact O-N 2.97Å; D67-Q70 PolarHBondContact OD1-N 3.2Å; D67-Q70 VanDerWaalsContact OD2-CD 3.25Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.31Å; N68-Q70 PolarHBondContact O-N 2.87Å; Q70-I72 HydrophobicContact CB-CB 4.42Å; Q70-I72 HydrophobicContact CB-CD1 3.85Å; Q70-I72 HydrophobicContact CB-CG1 3.78Å; Q70-I72 WeakPolarHBondContact O-CG1 3.12Å; Q70-I72 PolarHBondContact O-N 2.9Å
71	S	96.6	Very high	96.9	Very high	37 Å²	37	43.5 Å²	43.5	26%	0.259	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	41.2	-171.3	-56.5	0	0	0	0	113.1	T16 D67	T16-S71 PolarHBondContact N-O 2.83Å; T16-S71 PolarHBondContact OG1-O 2.78Å; D67-S71 WeakPolarHBondContact O-CA 3.35Å; D67-S71 PolarHBondContact O-N 3.12Å
72	I	98	Very high	96.7	Very high	27 Å²	27	45.7 Å²	45.7	14%	0.138	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.6	-178.5	-57.8	-178.2	0	0	0	110.8	C14 A15 R66 D67 Q70 Y74	C14-I72 CarbonylContact O-C 3.56Å; C14-I72 VanDerWaalsContact O-CA 3.31Å; C14-I72 WeakPolarHBondContact O-CA 3.49Å; A15-I72 HydrophobicContact CB-CG1 4.18Å; R66-I72 WeakPolarHBondContact CA-O 3.48Å; D67-I72 PolarHBondContact N-O 2.77Å; D67-I72 PolarHBondContact O-N 2.77Å; Q70-I72 HydrophobicContact CB-CB 4.42Å; Q70-I72 HydrophobicContact CB-CD1 3.85Å; Q70-I72 HydrophobicContact CB-CG1 3.78Å; Q70-I72 WeakPolarHBondContact O-CG1 3.12Å; Q70-I72 PolarHBondContact O-N 2.9Å; I72-Y74 HydrophobicContact CB-CE2 4.08Å; I72-Y74 HydrophobicContact CG2-CD1 4.08Å; I72-Y74 HydrophobicContact CG2-CD2 4.23Å; I72-Y74 HydrophobicContact CG2-CE1 3.57Å; I72-Y74 HydrophobicContact CG2-CE2 3.73Å; I72-Y74 HydrophobicContact CG2-CG 4.38Å
73	L	98.3	Very high	96.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	137.6	167.2	-171.5	69.9	0	0	0	110	S13 C14 F21 M26 W28 I43 I64 R66 C90	S13-L73 CarbonylContact C-O 3.54Å; S13-L73 WeakPolarHBondContact CA-O 3.4Å; C14-L73 HydrophobicContact CB-CB 4.44Å; C14-L73 PolarHBondContact N-O 2.97Å; C14-L73 PolarHBondContact O-N 2.8Å; F21-L73 HydrophobicContact CE2-CB 4.47Å; F21-L73 HydrophobicContact CZ-CB 4.41Å; M26-L73 HydrophobicContact CB-CD1 3.59Å; M26-L73 HydrophobicContact CB-CD2 3.85Å; M26-L73 HydrophobicContact CB-CG 4.25Å; M26-L73 HydrophobicContact CG-CD1 4.43Å; W28-L73 HydrophobicContact CD2-CD2 4.29Å; W28-L73 HydrophobicContact CG-CD2 4.27Å; W28-L73 HydrophobicContact CZ2-CD2 4.24Å; W28-L73 HydrophobicContact CZ2-CG 4.26Å; W28-L73 VanDerWaalsContact NE1-CD2 3.25Å; I43-L73 HydrophobicContact CG2-CD1 3.6Å; I64-L73 HydrophobicContact CG2-CD1 3.86Å; R66-L73 HydrophobicContact CB-CD1 4.19Å; L73-C90 HydrophobicContact CD2-CB 3.98Å
74	Y	98.4	Very high	96.3	Very high	37 Å²	37	48.4 Å²	48.4	15%	0.145	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.4	177.5	-60.6	-78.2	0	0	0	111.5	R11 L12 W28 I64 S65 D67 I72	R11-Y74 VanDerWaalsContact NH2-CG 3.26Å; L12-Y74 VanDerWaalsContact O-CA 3.27Å; L12-Y74 WeakPolarHBondContact O-CA 3.27Å; W28-Y74 PolarHBondContact NE1-O 3.18Å; I64-Y74 WeakPolarHBondContact CA-O 3.4Å; S65-Y74 PolarHBondContact N-O 2.89Å; S65-Y74 VanDerWaalsContact N-O 3.12Å; S65-Y74 PolarHBondContact O-N 3.43Å; D67-Y74 HydrophobicContact CB-CE2 3.89Å; I72-Y74 HydrophobicContact CB-CE2 4.08Å; I72-Y74 HydrophobicContact CG2-CD1 4.08Å; I72-Y74 HydrophobicContact CG2-CD2 4.23Å; I72-Y74 HydrophobicContact CG2-CE1 3.57Å; I72-Y74 HydrophobicContact CG2-CE2 3.73Å; I72-Y74 HydrophobicContact CG2-CG 4.38Å
75	L	98.5	Very high	96.1	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	106.4	166.1	-171.4	67.3	0	0	0	108.1	R11 L12 W28 L40 F62 I64 M77 Y88	R11-L75 WeakPolarHBondContact CA-O 3.44Å; L12-L75 HydrophobicContact CB-CB 4.28Å; L12-L75 HydrophobicContact CD1-CD2 4.42Å; L12-L75 PolarHBondContact N-O 2.84Å; L12-L75 PolarHBondContact O-N 3.03Å; W28-L75 HydrophobicContact CB-CD1 4.49Å; W28-L75 HydrophobicContact CB-CD2 4.38Å; W28-L75 HydrophobicContact CD2-CB 3.89Å; W28-L75 HydrophobicContact CD2-CD2 4.06Å; W28-L75 HydrophobicContact CD2-CG 4.44Å; W28-L75 HydrophobicContact CE3-CD2 4.32Å; W28-L75 HydrophobicContact CG-CB 4.17Å; W28-L75 HydrophobicContact CG-CD1 4.1Å; W28-L75 HydrophobicContact CG-CD2 4.09Å; W28-L75 HydrophobicContact CG-CG 4.36Å; W28-L75 HydrophobicContact CZ2-CB 3.87Å; L40-L75 HydrophobicContact CD1-CD2 4.33Å; F62-L75 HydrophobicContact CB-CD1 4.1Å; F62-L75 HydrophobicContact CD2-CD1 4.27Å; F62-L75 HydrophobicContact CD2-CD2 4.11Å; F62-L75 HydrophobicContact CD2-CG 4.38Å; F62-L75 HydrophobicContact CE2-CD2 4.5Å; I64-L75 HydrophobicContact CD1-CD1 4.42Å; I64-L75 HydrophobicContact CG1-CD1 3.56Å; L75-M77 HydrophobicContact CD2-CG 3.77Å; L75-M77 HydrophobicContact CD2-SD 3.84Å; L75-M77 HydrophobicContact CG-CG 3.74Å; L75-M77 HydrophobicContact CG-SD 4.31Å; L75-Y88 HydrophobicContact CD2-CD1 3.94Å; L75-Y88 HydrophobicContact CD2-CE1 4.02Å
76	Q	98.2	Very high	96	Very high	54 Å²	54	51.4 Å²	51.4	25%	0.252	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.1	167	-179.6	63.1	33.2	0	0	107.9	F62 T63 N78	F62-Q76 CarbonylContact C-O 3.58Å; F62-Q76 WeakPolarHBondContact CA-O 3.22Å; T63-Q76 PolarHBondContact N-O 2.78Å; T63-Q76 PolarHBondContact O-N 3Å; Q76-N78 PolarHBondContact NE2-OD1 2.8Å
77	M	97.3	Very high	96	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.03	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	109.1	-179.4	-61.4	158.8	45.6	0	0	108	S9 L10 L12 F62 L75 L80 Y88	S9-M77 CarbonylContact C-O 3.51Å; S9-M77 WeakPolarHBondContact CA-O 3.12Å; S9-M77 WeakPolarHBondContact CB-O 3.43Å; L10-M77 HydrophobicContact CD2-CE 4.4Å; L10-M77 PolarHBondContact N-O 2.92Å; L10-M77 WeakPolarHBondContact O-CB 3.37Å; L10-M77 PolarHBondContact O-N 2.98Å; L12-M77 HydrophobicContact CD1-SD 3.62Å; L12-M77 HydrophobicContact CG-SD 3.76Å; F62-M77 HydrophobicContact CD1-CB 3.87Å; F62-M77 HydrophobicContact CD1-CG 4.08Å; F62-M77 HydrophobicContact CD2-CG 3.98Å; F62-M77 HydrophobicContact CE1-CB 3.76Å; F62-M77 HydrophobicContact CE1-CG 4.05Å; F62-M77 HydrophobicContact CE2-CG 3.92Å; F62-M77 HydrophobicContact CG-CB 4.36Å; F62-M77 HydrophobicContact CG-CG 4.08Å; F62-M77 HydrophobicContact CZ-CB 4.11Å; F62-M77 HydrophobicContact CZ-CE 4.31Å; F62-M77 HydrophobicContact CZ-CG 3.97Å; L75-M77 HydrophobicContact CD2-CG 3.77Å; L75-M77 HydrophobicContact CD2-SD 3.84Å; L75-M77 HydrophobicContact CG-CG 3.74Å; L75-M77 HydrophobicContact CG-SD 4.31Å; M77-L80 HydrophobicContact CB-CD1 4.46Å; M77-L80 HydrophobicContact CB-CD2 4.03Å; M77-L80 HydrophobicContact CB-CG 4.26Å; M77-L80 HydrophobicContact CE-CD1 4.08Å; M77-L80 HydrophobicContact CE-CD2 3.24Å; M77-L80 HydrophobicContact CE-CG 4.2Å; M77-Y88 HydrophobicContact CE-CE1 4.32Å; M77-Y88 HydrophobicContact CE-CE2 4.35Å; M77-Y88 HydrophobicContact SD-CE1 4.19Å
78	N	95.9	Very high	96.1	Very high	54 Å²	54	53.5 Å²	53.5	29%	0.289	30%	0.298	S	S	.	.			trans	-105.6	155.8	176.7	-56.3	-50.4	0	0	0	110.6	S9 R61 Q76 L80	S9-N78 WeakPolarHBondContact OG-CA 3.32Å; S9-N78 PolarHBondContact OG-OD1 3.31Å; S9-N78 VanDerWaalsContact OG-OD1 3.1Å; R61-N78 WeakPolarHBondContact O-CB 3.29Å; R61-N78 PolarHBondContact O-N 3.1Å; Q76-N78 PolarHBondContact NE2-OD1 2.8Å; N78-L80 VanDerWaalsContact C-N 3.34Å; N78-L80 PolarHBondContact O-N 3.29Å
79	T	94.4	Very high	96.2	Very high	75 Å²	75	56.4 Å²	56.4	46%	0.46	31%	0.307	S	S	.	.	S	Bend	trans	52	53.7	176.8	56.8	0	0	0	0	111.7	G8 R61	G8-T79 PolarHBondContact O-N 3.04Å; R61-T79 WeakPolarHBondContact CG-OG1 3.46Å; R61-T79 PolarHBondContact NH1-O 2.93Å
80	L	95.1	Very high	96.2	Very high	17 Å²	17	53.5 Å²	53.5	9%	0.089	29%	0.286	C	S	.	.			trans	-61.6	141.7	-177.9	-83.2	165.2	0	0	0	112	V4 G7 G8 L10 F62 M77 N78 D84	V4-L80 HydrophobicContact CB-CD1 4.23Å; V4-L80 HydrophobicContact CG1-CD1 4.25Å; G7-L80 PolarHBondContact N-O 3.31Å; G8-L80 WeakPolarHBondContact O-CB 3.25Å; G8-L80 PolarHBondContact O-N 3.34Å; L10-L80 HydrophobicContact CB-CD1 3.87Å; F62-L80 HydrophobicContact CE1-CD2 4.14Å; F62-L80 HydrophobicContact CZ-CD2 4.07Å; M77-L80 HydrophobicContact CB-CD1 4.46Å; M77-L80 HydrophobicContact CB-CD2 4.03Å; M77-L80 HydrophobicContact CB-CG 4.26Å; M77-L80 HydrophobicContact CE-CD1 4.08Å; M77-L80 HydrophobicContact CE-CD2 3.24Å; M77-L80 HydrophobicContact CE-CG 4.2Å; N78-L80 VanDerWaalsContact C-N 3.34Å; N78-L80 PolarHBondContact O-N 3.29Å; L80-D84 HydrophobicContact CD2-CB 3.74Å
81	R	94.6	Very high	96.1	Very high	134 Å²	134	50 Å²	50	51%	0.506	28%	0.276	S	S	.	.			trans	-115.6	163.5	176.3	-56.1	176.8	-177.4	174.1	-1.9	110.1	E83 D84	R81-E83 WeakPolarHBondContact CB-OE2 3.45Å; R81-E83 WeakPolarHBondContact CD-OE2 3.32Å; R81-E83 PolarHBondContact O-N 3.1Å; R81-D84 PolarHBondContact N-OD2 2.82Å; R81-D84 WeakPolarHBondContact O-CB 3.35Å; R81-D84 PolarHBondContact O-N 3.5Å
82	A	92.3	Very high	95.9	Very high	68 Å²	68	50.9 Å²	50.9	56%	0.562	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-60	-35.8	176.9	0	0	0	0	0	111.4	D84 S85	A82-D84 PolarHBondContact O-N 3.38Å; A82-D84 VanDerWaalsContact O-N 3.17Å; A82-S85 VanDerWaalsContact O-CB 3.31Å; A82-S85 WeakPolarHBondContact O-CB 3.22Å; A82-S85 PolarHBondContact O-N 3.27Å; A82-S85 VanDerWaalsContact O-N 3.09Å
83	E	92.4	Very high	95.1	Very high	126 Å²	126	52.2 Å²	52.2	59%	0.589	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-64	-16.4	176.4	-46.3	80.7	-113.5	0	0	113.9	R81 S85	R81-E83 WeakPolarHBondContact CB-OE2 3.45Å; R81-E83 WeakPolarHBondContact CD-OE2 3.32Å; R81-E83 PolarHBondContact O-N 3.1Å; E83-S85 PolarHBondContact O-N 2.84Å
84	D	95.1	Very high	93.7	Very high	5 Å²	5	61 Å²	61	3%	0.027	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-82.2	-1.7	176.4	-59.6	-46.2	0	0	0	112.7	R30 R61 F62 L80 R81 A82 A86 Y88	R30-D84 IonicContact CZ-OD1 3.24Å; R30-D84 IonicContact NH1-OD1 2.83Å; R30-D84 PolarHBondContact NH1-OD1 3.25Å; R61-D84 IonicContact CZ-OD1 3.83Å; R61-D84 IonicContact CZ-OD2 2.69Å; R61-D84 IonicContact NH1-OD1 2.92Å; R61-D84 IonicContact NH1-OD2 3.25Å; R61-D84 PolarHBondContact NH1-OD2 2.99Å; R61-D84 IonicContact NH2-OD1 3.46Å; R61-D84 PolarHBondContact NH2-OD1 3.04Å; R61-D84 IonicContact NH2-OD2 3.84Å; R61-D84 PolarHBondContact NH2-OD2 2.88Å; F62-D84 HydrophobicContact CZ-CB 4.21Å; L80-D84 HydrophobicContact CD2-CB 3.74Å; R81-D84 PolarHBondContact N-OD2 2.82Å; R81-D84 WeakPolarHBondContact O-CB 3.35Å; R81-D84 PolarHBondContact O-N 3.5Å; A82-D84 PolarHBondContact O-N 3.38Å; A82-D84 VanDerWaalsContact O-N 3.17Å; D84-A86 PolarHBondContact O-N 3.36Å; D84-Y88 WeakPolarHBondContact O-CE2 3.43Å; D84-Y88 PolarHBondContact O-OH 3.12Å
85	S	95.2	Very high	91.7	Very high	89 Å²	89	68.8 Å²	68.8	62%	0.622	35%	0.353	S	S	*	.			trans	-69.8	109.7	175	-169.5	0	0	0	0	111.1	A82 E83	A82-S85 VanDerWaalsContact O-CB 3.31Å; A82-S85 WeakPolarHBondContact O-CB 3.22Å; A82-S85 PolarHBondContact O-N 3.27Å; A82-S85 VanDerWaalsContact O-N 3.09Å; E83-S85 PolarHBondContact O-N 2.84Å
86	A	96.2	Very high	89.2	Confident	24 Å²	24	78.9 Å²	78.9	20%	0.198	39%	0.392	C	S	.	.	S	Bend	trans	-162.3	167.9	-175.1	0	0	0	0	0	110.5	R30 Q31 P32 D84 Y88	R30-A86 HydrophobicContact CB-CB 3.84Å; R30-A86 HydrophobicContact CG-CB 4.2Å; Q31-A86 WeakPolarHBondContact O-CA 3.31Å; Q31-A86 WeakPolarHBondContact O-CB 3.46Å; P32-A86 HydrophobicContact CG-CB 4.38Å; D84-A86 PolarHBondContact O-N 3.36Å; A86-Y88 HydrophobicContact CB-CD2 4.45Å; A86-Y88 HydrophobicContact CB-CE2 3.98Å; A86-Y88 VanDerWaalsContact O-CD2 3.23Å; A86-Y88 WeakPolarHBondContact O-CD2 3.41Å; A86-Y88 WeakPolarHBondContact O-CE2 3.41Å
87	T	97.3	Very high	86.5	Confident	77 Å²	77	82.8 Å²	82.8	47%	0.472	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	133.7	161.7	-52.5	0	0	0	0	109.1	R30 Q31 Y89	R30-T87 CarbonylContact C-O 3.45Å; R30-T87 WeakPolarHBondContact CA-O 3.47Å; Q31-T87 PolarHBondContact N-O 3.46Å; Q31-T87 PolarHBondContact O-N 2.89Å; T87-Y89 HydrophobicContact CG2-CE1 3.96Å; T87-Y89 HydrophobicContact CG2-CE2 3.72Å; T87-Y89 VanDerWaalsContact CG2-OH 3.27Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.23Å
88	Y	97.4	Very high	85.9	Confident	41 Å²	41	86.6 Å²	86.6	16%	0.161	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.5	-176.9	-73.3	-105.1	0	0	0	110.5	L12 R30 L40 F62 L75 M77 D84 A86	L12-Y88 HydrophobicContact CD1-CD1 3.85Å; L12-Y88 HydrophobicContact CD1-CD2 4.11Å; L12-Y88 HydrophobicContact CD1-CG 3.59Å; R30-Y88 HydrophobicContact CB-CD1 4.04Å; R30-Y88 HydrophobicContact CB-CE1 4.03Å; R30-Y88 HydrophobicContact CB-CG 4.34Å; L40-Y88 HydrophobicContact CD1-CD1 3.86Å; L40-Y88 HydrophobicContact CD1-CE1 3.5Å; L40-Y88 VanDerWaalsContact CD1-CE1 3.5Å; F62-Y88 HydrophobicContact CE2-CE1 4.35Å; L75-Y88 HydrophobicContact CD2-CD1 3.94Å; L75-Y88 HydrophobicContact CD2-CE1 4.02Å; M77-Y88 HydrophobicContact CE-CE1 4.32Å; M77-Y88 HydrophobicContact CE-CE2 4.35Å; M77-Y88 HydrophobicContact SD-CE1 4.19Å; D84-Y88 WeakPolarHBondContact O-CE2 3.43Å; D84-Y88 PolarHBondContact O-OH 3.12Å; A86-Y88 HydrophobicContact CB-CD2 4.45Å; A86-Y88 HydrophobicContact CB-CE2 3.98Å; A86-Y88 VanDerWaalsContact O-CD2 3.23Å; A86-Y88 WeakPolarHBondContact O-CD2 3.41Å; A86-Y88 WeakPolarHBondContact O-CE2 3.41Å
89	Y	97	Very high	85.4	Confident	98 Å²	98	88.3 Å²	88.3	38%	0.384	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141	-178.3	-54.5	-85.7	0	0	0	109.8	W28 V29 Q31 L37 T87	W28-Y89 WeakPolarHBondContact CA-O 3.25Å; V29-Y89 PolarHBondContact N-O 2.83Å; V29-Y89 PolarHBondContact O-N 3.23Å; Q31-Y89 HydrophobicContact CB-CE2 3.9Å; L37-Y89 HydrophobicContact CD2-CD2 4.02Å; L37-Y89 HydrophobicContact CD2-CE2 4.11Å; T87-Y89 HydrophobicContact CG2-CE1 3.96Å; T87-Y89 HydrophobicContact CG2-CE2 3.72Å; T87-Y89 VanDerWaalsContact CG2-OH 3.27Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.23Å
90	C	96	Very high	84.9	Confident	44 Å²	44	89.1 Å²	89.1	30%	0.297	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	146	164.5	50.5	0	0	0	0	109.1	C14 S27 W28 L73	C14-C90 HydrophobicContact CB-CB 3.47Å; C14-C90 VanDerWaalsContact CB-CB 3.47Å; C14-C90 WeakPolarHBondContact CB-SG 3.36Å; C14-C90 WeakPolarHBondContact SG-CB 3.46Å; C14-C90 CovalentContact SG-SG 2Å; C14-C90 PolarHBondContact SG-SG 2.91Å; S27-C90 CarbonylContact O-C 3.49Å; S27-C90 VanDerWaalsContact O-CA 3.29Å; S27-C90 WeakPolarHBondContact O-CA 3.35Å; W28-C90 HydrophobicContact CZ3-CB 4.47Å; L73-C90 HydrophobicContact CD2-CB 3.98Å
91	A	94.6	Very high	84.3	Confident	37 Å²	37	93.3 Å²	93.3	31%	0.306	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.5	176.8	0	0	0	0	0	110.5	S27	S27-A91 PolarHBondContact N-O 3.18Å; S27-A91 PolarHBondContact O-N 3.07Å
92	S	92.4	Very high	83.7	Confident	55 Å²	55	90.8 Å²	90.8	39%	0.385	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	136.2	166.2	54.6	0	0	0	0	109.5
93	N	81.7	Confident	83.1	Confident	55 Å²	55	92.3 Å²	92.3	29%	0.294	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.4	176.5	-77.8	-2.8	0	0	0	109.5	Y25 S27	Y25-N93 PolarHBondContact N-O 3.47Å; Y25-N93 PolarHBondContact O-N 2.86Å; S27-N93 PolarHBondContact OG-ND2 3.34Å
94	W	68.1	Low	82.4	Confident	184 Å²	184	89.9 Å²	89.9	70%	0.697	47%	0.471	S	S	*	.			trans	-103.5	4.3	177.8	-143.3	-39.8	0	0	0	113.3	Y24 Y96	Y24-W94 HydrophobicContact CD1-CD2 4.43Å; Y24-W94 HydrophobicContact CD1-CG 4.48Å; Y24-W94 HydrophobicContact CE1-CB 4.36Å; Y24-W94 AromaticContact CE1-CD2 3.44Å; Y24-W94 HydrophobicContact CE1-CD2 3.44Å; Y24-W94 VanDerWaalsContact CE1-CD2 3.44Å; Y24-W94 AromaticContact CE1-CE2 3.93Å; Y24-W94 AromaticContact CE1-CE3 3.38Å; Y24-W94 HydrophobicContact CE1-CE3 3.38Å; Y24-W94 AromaticContact CE1-CG 3.91Å; Y24-W94 HydrophobicContact CE1-CG 3.91Å; Y24-W94 HydrophobicContact CE1-CH2 4.29Å; Y24-W94 HydrophobicContact CE1-CZ2 4.32Å; Y24-W94 AromaticContact CE1-CZ3 3.83Å; Y24-W94 HydrophobicContact CE1-CZ3 3.83Å; Y24-W94 AromaticContact CZ-CD2 3.97Å; Y24-W94 AromaticContact CZ-CE3 3.84Å; Y24-W94 AromaticContact CZ-CH2 3.88Å; Y24-W94 AromaticContact CZ-CZ2 3.98Å; Y24-W94 AromaticContact CZ-CZ3 3.78Å; Y24-W94 WeakPolarHBondContact OH-CH2 3.43Å; Y24-W94 WeakPolarHBondContact OH-CZ2 3.43Å; Y24-W94 WeakPolarHBondContact OH-CZ3 3.36Å; W94-Y96 PolarHBondContact O-N 3.49Å
95	Y	55.6	Low	81.5	Confident	201 Å²	201	96.4 Å²	96.4	79%	0.788	51%	0.505	S	S	*	.			trans	-79.1	121.2	-172.4	-76.2	-77.1	0	0	0	112.9	A97	Y95-A97 PolarHBondContact O-N 2.64Å; Y95-A97 VanDerWaalsContact O-N 3.16Å
96	Y	47	Very low	80.3	Confident	212 Å²	212	97 Å²	97	83%	0.831	50%	0.495	S	S	*	.			trans	-59.4	102.4	153	-57.5	-89.2	0	0	0	107.5	W94	W94-Y96 PolarHBondContact O-N 3.49Å
97	A	40.7	Very low	78.9	Confident	136 Å²	136	103.6 Å²	103.6	100%	1.124	52%	0.522	S	S	*	.			trans	-89	0	154.3	0	0	0	0	0	107.4	Y95	Y95-A97 PolarHBondContact O-N 2.64Å; Y95-A97 VanDerWaalsContact O-N 3.16Å

Retrieved 97 of 97 residues in 22.8 ms (Link to these results)

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