X5J5H1_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5H1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 90 aa.

						>X5J5H1_MOUSE|X5J5H1
GGLVKPGGSLKLSCAASGFTFSGYGMHWVRQAPEKGLEWVAYISSGSSTIYYGDTVKGRFTISRDNAKNTLLLQMTSLRSEDTAMYYCVR
					

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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	62.6	Low	87	Confident	112 Å²	112	90.3 Å²	90.3	100%	1.155	59%	0.586	S	S	*	*				0	161.2	0	0	0	0	0	0	109.1
2	G	78.1	Confident	87.9	Confident	49 Å²	49	84.3 Å²	84.3	51%	0.505	55%	0.545	S	S	.	.			trans	-116.1	162.8	179.7	0	0	0	0	0	112.1
3	L	82.7	Confident	88.6	Confident	184 Å²	184	84.7 Å²	84.7	96%	0.963	55%	0.552	S	S	*	*			trans	-71.5	129.1	171.8	-174.2	69.8	0	0	0	109.4
4	V	88.6	Confident	89.2	Confident	52 Å²	52	80.1 Å²	80.1	32%	0.315	52%	0.522	S	S	.	.			trans	-128.6	142.3	179.4	-174	0	0	0	0	108.9	L10 L78	V4-L10 HydrophobicContact CG2-CB 4.06Å; V4-L10 HydrophobicContact CG2-CD1 4.01Å; V4-L10 HydrophobicContact CG2-CD2 4.36Å; V4-L10 HydrophobicContact CG2-CG 4.37Å; V4-L78 HydrophobicContact CB-CD1 4.01Å; V4-L78 HydrophobicContact CG1-CD1 4.05Å; V4-L78 HydrophobicContact CG2-CD1 4.41Å
5	K	86.6	Confident	89.8	Confident	180 Å²	180	80.2 Å²	80.2	78%	0.783	53%	0.532	S	S	*	.			trans	-65.3	149.9	174.7	-65.4	-177.1	179.7	-178.9	0	110.5	G7 G8	K5-G7 PolarHBondContact O-N 3.37Å; K5-G8 PolarHBondContact O-N 3.01Å
6	P	86.6	Confident	90.1	Very high	115 Å²	115	76.3 Å²	76.3	75%	0.747	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	141	171.4	-26.4	34.8	0	0	0	112	G8	P6-G8 PolarHBondContact O-N 3.04Å
7	G	89.8	Confident	90.4	Very high	55 Å²	55	77.9 Å²	77.9	57%	0.567	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-9.9	-174.3	0	0	0	0	0	114.8	K5 L78	K5-G7 PolarHBondContact O-N 3.37Å; G7-L78 PolarHBondContact N-O 2.8Å
8	G	93.9	Very high	90.7	Very high	22 Å²	22	78.6 Å²	78.6	23%	0.227	54%	0.544	C	S	.	.			trans	-71.5	-179.7	177.1	0	0	0	0	0	113.7	K5 P6 S77 L78	K5-G8 PolarHBondContact O-N 3.01Å; P6-G8 PolarHBondContact O-N 3.04Å; G8-S77 PolarHBondContact O-N 3.38Å; G8-L78 PolarHBondContact O-N 2.96Å
9	S	95.5	Very high	90.8	Very high	67 Å²	67	77.6 Å²	77.6	47%	0.469	53%	0.529	S	S	.	.			trans	-124.1	146	176.8	-60.3	0	0	0	0	110.9	M75	S9-M75 CarbonylContact C-O 3.56Å; S9-M75 WeakPolarHBondContact CA-O 3.36Å; S9-M75 WeakPolarHBondContact CB-O 3.31Å
10	L	95.6	Very high	91	Very high	41 Å²	41	78.6 Å²	78.6	22%	0.215	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.2	176.3	-175.7	60.2	0	0	0	109.3	V4 L12 M75 L78	V4-L10 HydrophobicContact CG2-CB 4.06Å; V4-L10 HydrophobicContact CG2-CD1 4.01Å; V4-L10 HydrophobicContact CG2-CD2 4.36Å; V4-L10 HydrophobicContact CG2-CG 4.37Å; L10-L12 HydrophobicContact CD2-CD2 3.7Å; L10-L12 HydrophobicContact CD2-CG 4.48Å; L10-L12 HydrophobicContact CG-CD2 4.05Å; L10-M75 PolarHBondContact N-O 2.95Å; L10-M75 WeakPolarHBondContact O-CB 3.13Å; L10-M75 PolarHBondContact O-N 2.99Å; L10-L78 HydrophobicContact CB-CD1 3.82Å
11	K	96.9	Very high	91.2	Very high	116 Å²	116	74.9 Å²	74.9	50%	0.504	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.3	168.3	-170.2	175.5	179.8	178.3	0	109.3	L73	K11-L73 WeakPolarHBondContact CA-O 3.36Å
12	L	97.5	Very high	92.8	Very high	18 Å²	18	72.2 Å²	72.2	9%	0.094	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	144.3	170.8	-56.1	-178.8	0	0	0	109.6	L10 W28 L72 L73 M75 Y86	L10-L12 HydrophobicContact CD2-CD2 3.7Å; L10-L12 HydrophobicContact CD2-CG 4.48Å; L10-L12 HydrophobicContact CG-CD2 4.05Å; L12-W28 HydrophobicContact CB-CH2 3.81Å; L12-W28 HydrophobicContact CB-CZ2 4.12Å; L12-W28 HydrophobicContact CB-CZ3 4.42Å; L12-W28 HydrophobicContact CD1-CH2 4.42Å; L12-W28 HydrophobicContact CD1-CZ3 4.21Å; L12-L72 WeakPolarHBondContact O-CA 3.43Å; L12-L73 HydrophobicContact CB-CB 4.27Å; L12-L73 HydrophobicContact CD1-CD2 4.44Å; L12-L73 PolarHBondContact N-O 2.95Å; L12-L73 PolarHBondContact O-N 3.27Å; L12-M75 HydrophobicContact CD1-SD 3.76Å; L12-M75 HydrophobicContact CG-SD 3.91Å; L12-Y86 HydrophobicContact CD1-CD1 4.01Å; L12-Y86 HydrophobicContact CD1-CD2 4.06Å; L12-Y86 HydrophobicContact CD1-CG 3.61Å
13	S	97.8	Very high	93.6	Very high	90 Å²	90	72.3 Å²	72.3	63%	0.629	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.1	172.3	55.6	0	0	0	0	110	L71	S13-L71 CarbonylContact C-O 3.51Å; S13-L71 WeakPolarHBondContact CA-O 3.46Å
14	C	97.4	Very high	94.3	Very high	20 Å²	20	68.5 Å²	68.5	14%	0.135	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	116.1	172.8	164.3	0	0	0	0	109	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.93Å; C14-W28 HydrophobicContact CB-CZ2 4.03Å; C14-T70 CarbonylContact O-C 3.56Å; C14-T70 WeakPolarHBondContact O-CA 3.21Å; C14-L71 HydrophobicContact CB-CB 4.36Å; C14-L71 PolarHBondContact N-O 2.88Å; C14-L71 PolarHBondContact O-N 2.79Å; C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.38Å; C14-C88 WeakPolarHBondContact SG-CB 3.15Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.82Å
15	A	97.1	Very high	94.7	Very high	82 Å²	82	66.8 Å²	66.8	68%	0.678	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.3	173.1	0	0	0	0	0	109.2
16	A	95.3	Very high	95.3	Very high	17 Å²	17	58.4 Å²	58.4	14%	0.14	40%	0.401	C	S	.	.			trans	-94.5	141.6	177.8	0	0	0	0	0	111	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.76Å; A16-F19 HydrophobicContact CB-CE2 4.45Å; A16-F19 HydrophobicContact CB-CZ 3.57Å; A16-F21 HydrophobicContact CB-CB 4.41Å; A16-F21 HydrophobicContact CB-CD2 3.5Å; A16-F21 VanDerWaalsContact CB-CD2 3.5Å; A16-F21 HydrophobicContact CB-CE2 4.14Å; A16-F21 HydrophobicContact CB-CG 4.3Å; A16-N69 PolarHBondContact N-O 3.19Å
17	S	95.4	Very high	95.8	Very high	105 Å²	105	55.4 Å²	55.4	73%	0.734	38%	0.377	S	S	*	.			trans	-143	160.1	174.5	61.7	0	0	0	0	110	F19	S17-F19 WeakPolarHBondContact O-CD1 3.12Å; S17-F19 PolarHBondContact O-N 3.14Å
18	G	95	Very high	96.2	Very high	90 Å²	90	53.1 Å²	53.1	93%	0.928	35%	0.352	S	S	*	.	S	Bend	trans	82	4.1	178.5	0	0	0	0	0	115.8
19	F	93.1	Very high	96.4	Very high	59 Å²	59	53 Å²	53	26%	0.259	35%	0.347	S	S	.	.	S	Bend	trans	-156	163.7	173.1	65.7	-82.4	0	0	0	112.6	A16 S17 F21 Y24 M26 R90	A16-F19 HydrophobicContact CB-CE1 3.76Å; A16-F19 HydrophobicContact CB-CE2 4.45Å; A16-F19 HydrophobicContact CB-CZ 3.57Å; S17-F19 WeakPolarHBondContact O-CD1 3.12Å; S17-F19 PolarHBondContact O-N 3.14Å; F19-F21 HydrophobicContact CE2-CB 4.2Å; F19-F21 HydrophobicContact CE2-CD2 4.15Å; F19-F21 HydrophobicContact CZ-CD2 4.22Å; F19-F21 PolarHBondContact O-N 2.88Å; F19-Y24 AromaticContact CD2-CD2 3.88Å; F19-Y24 HydrophobicContact CD2-CD2 3.88Å; F19-Y24 HydrophobicContact CD2-CE2 4.3Å; F19-Y24 HydrophobicContact CE2-CD2 4.4Å; F19-M26 HydrophobicContact CE2-SD 4.13Å; F19-M26 HydrophobicContact CZ-CE 4.15Å; F19-M26 HydrophobicContact CZ-SD 4.19Å; F19-R90 VanDerWaalsContact CB-NH1 3.29Å; F19-R90 VanDerWaalsContact CD2-CD 3.41Å; F19-R90 HydrophobicContact CE2-CB 4.45Å; F19-R90 HydrophobicContact CE2-CG 4.03Å; F19-R90 HydrophobicContact CZ-CB 4.3Å; F19-R90 HydrophobicContact CZ-CG 4.38Å
20	T	95	Very high	96.5	Very high	98 Å²	98	50.3 Å²	50.3	60%	0.601	33%	0.326	S	S	*	.			trans	-73.5	88	174.3	-50.6	0	0	0	0	110.8	S22 G23 Y24	T20-S22 PolarHBondContact O-N 3.34Å; T20-S22 VanDerWaalsContact O-N 3.17Å; T20-G23 PolarHBondContact O-N 2.89Å; T20-Y24 VanDerWaalsContact O-CD2 3.31Å; T20-Y24 WeakPolarHBondContact O-CD2 3.4Å
21	F	95.6	Very high	96.6	Very high	1 Å²	1	52.2 Å²	52.2	0%	0.004	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-52.5	-38.2	-175.8	178.3	-96.5	0	0	0	114.2	A16 F19 G23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CB 4.41Å; A16-F21 HydrophobicContact CB-CD2 3.5Å; A16-F21 VanDerWaalsContact CB-CD2 3.5Å; A16-F21 HydrophobicContact CB-CE2 4.14Å; A16-F21 HydrophobicContact CB-CG 4.3Å; F19-F21 HydrophobicContact CE2-CB 4.2Å; F19-F21 HydrophobicContact CE2-CD2 4.15Å; F19-F21 HydrophobicContact CZ-CD2 4.22Å; F19-F21 PolarHBondContact O-N 2.88Å; F21-G23 PolarHBondContact O-N 2.8Å; F21-Y24 PolarHBondContact O-N 2.81Å; F21-M26 HydrophobicContact CD2-CE 4.29Å; F21-M26 HydrophobicContact CD2-CG 4.24Å; F21-M26 HydrophobicContact CD2-SD 3.92Å; F21-M26 HydrophobicContact CE2-CE 3.92Å; F21-M26 HydrophobicContact CE2-CG 3.58Å; F21-M26 HydrophobicContact CE2-SD 3.77Å; F21-M26 HydrophobicContact CZ-CG 3.98Å; F21-R64 HydrophobicContact CE1-CB 4.06Å; F21-R64 HydrophobicContact CZ-CB 4Å; F21-R64 PolarHBondContact O-NH2 2.83Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.36Å; F21-N69 HydrophobicContact CB-CB 3.99Å; F21-N69 WeakPolarHBondContact CB-OD1 3.48Å; F21-N69 HydrophobicContact CG-CB 4.23Å; F21-L71 HydrophobicContact CE2-CB 4.32Å; F21-L71 HydrophobicContact CZ-CB 4.25Å
22	S	95.6	Very high	96.5	Very high	56 Å²	56	47.5 Å²	47.5	39%	0.392	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-63.2	-22.5	179.7	57.7	0	0	0	0	113.5	T20 S45	T20-S22 PolarHBondContact O-N 3.34Å; T20-S22 VanDerWaalsContact O-N 3.17Å; S22-S45 VanDerWaalsContact O-CB 3.23Å; S22-S45 WeakPolarHBondContact O-CB 3.38Å
23	G	95.7	Very high	96.1	Very high	51 Å²	51	53 Å²	53	53%	0.526	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-86.9	-5.9	-177.1	0	0	0	0	0	115.3	T20 F21	T20-G23 PolarHBondContact O-N 2.89Å; F21-G23 PolarHBondContact O-N 2.8Å
24	Y	96.2	Very high	95.8	Very high	104 Å²	104	58 Å²	58	41%	0.408	37%	0.367	S	S	.	.	S	Bend	trans	-123	147.9	-175.1	-64.2	-95.5	0	0	0	112.2	F19 T20 F21 R64 R90	F19-Y24 AromaticContact CD2-CD2 3.88Å; F19-Y24 HydrophobicContact CD2-CD2 3.88Å; F19-Y24 HydrophobicContact CD2-CE2 4.3Å; F19-Y24 HydrophobicContact CE2-CD2 4.4Å; T20-Y24 VanDerWaalsContact O-CD2 3.31Å; T20-Y24 WeakPolarHBondContact O-CD2 3.4Å; F21-Y24 PolarHBondContact O-N 2.81Å; Y24-R64 PolarHBondContact O-NH2 2.83Å; Y24-R90 VanDerWaalsContact CB-CG 3.48Å; Y24-R90 HydrophobicContact CD1-CG 3.79Å; Y24-R90 HydrophobicContact CD2-CG 4.48Å; Y24-R90 HydrophobicContact CG-CG 3.68Å; Y24-R90 PolarHBondContact OH-NH1 3.06Å
25	G	97.6	Very high	95.4	Very high	15 Å²	15	62.3 Å²	62.3	16%	0.155	38%	0.383	C	S	.	.			trans	-69.1	155	160.4	0	0	0	0	0	109.8	I43	G25-I43 CarbonylContact C-O 3.56Å; G25-I43 VanDerWaalsContact CA-O 3.32Å; G25-I43 WeakPolarHBondContact CA-O 3.33Å
26	M	98.3	Very high	95.2	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.02	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.9	-176	-59.7	-62.1	-55.5	0	0	109.9	F19 F21 Y42 I43 L71 R90	F19-M26 HydrophobicContact CE2-SD 4.13Å; F19-M26 HydrophobicContact CZ-CE 4.15Å; F19-M26 HydrophobicContact CZ-SD 4.19Å; F21-M26 HydrophobicContact CD2-CE 4.29Å; F21-M26 HydrophobicContact CD2-CG 4.24Å; F21-M26 HydrophobicContact CD2-SD 3.92Å; F21-M26 HydrophobicContact CE2-CE 3.92Å; F21-M26 HydrophobicContact CE2-CG 3.58Å; F21-M26 HydrophobicContact CE2-SD 3.77Å; F21-M26 HydrophobicContact CZ-CG 3.98Å; M26-Y42 WeakPolarHBondContact O-CA 3.44Å; M26-Y42 WeakPolarHBondContact O-CD2 3.38Å; M26-I43 HydrophobicContact CB-CG2 4.18Å; M26-I43 PolarHBondContact N-O 3.36Å; M26-I43 PolarHBondContact O-N 2.97Å; M26-L71 HydrophobicContact CB-CD1 3.71Å; M26-L71 HydrophobicContact CB-CD2 3.86Å; M26-L71 HydrophobicContact CB-CG 4.35Å; M26-L71 HydrophobicContact CG-CD1 4.33Å; M26-R90 HydrophobicContact CE-CB 4.15Å; M26-R90 HydrophobicContact SD-CB 4.05Å; M26-R90 HydrophobicContact SD-CG 4.01Å
27	H	98.4	Very high	95.1	Very high	52 Å²	52	65.7 Å²	65.7	24%	0.241	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.3	-179	-53.6	-112.6	0	0	0	110.9	W39 A41 Y42 C88 V89	H27-W39 AromaticContact CG-NE1 4Å; H27-W39 AromaticContact ND1-CD1 3.81Å; H27-W39 AromaticContact ND1-NE1 3.21Å; H27-W39 PolarHBondContact ND1-NE1 2.88Å; H27-A41 CarbonylContact C-O 3.42Å; H27-A41 VanDerWaalsContact CA-O 3.24Å; H27-A41 WeakPolarHBondContact CA-O 3.23Å; H27-Y42 AromaticContact CD2-CD2 3.75Å; H27-Y42 AromaticContact CE1-CD2 3.21Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.39Å; H27-Y42 AromaticContact CE1-CE2 3.81Å; H27-Y42 AromaticContact CE1-CG 3.96Å; H27-Y42 AromaticContact CG-CD2 3.87Å; H27-Y42 AromaticContact ND1-CD2 3.57Å; H27-Y42 AromaticContact NE2-CD2 3.31Å; H27-Y42 VanDerWaalsContact NE2-CD2 3.31Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.46Å; H27-Y42 AromaticContact NE2-CE2 3.56Å; H27-C88 WeakPolarHBondContact O-CA 3.31Å; H27-V89 HydrophobicContact CB-CG2 3.65Å; H27-V89 PolarHBondContact N-O 3Å; H27-V89 PolarHBondContact O-N 3.09Å
28	W	98.5	Very high	95.2	Very high	8 Å²	8	63.3 Å²	63.3	3%	0.03	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.9	157.4	-79.3	99.2	0	0	0	109.2	L12 C14 V40 A41 L71 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.81Å; L12-W28 HydrophobicContact CB-CZ2 4.12Å; L12-W28 HydrophobicContact CB-CZ3 4.42Å; L12-W28 HydrophobicContact CD1-CH2 4.42Å; L12-W28 HydrophobicContact CD1-CZ3 4.21Å; C14-W28 HydrophobicContact CB-CH2 3.93Å; C14-W28 HydrophobicContact CB-CZ2 4.03Å; W28-V40 HydrophobicContact CB-CB 4.03Å; W28-V40 HydrophobicContact CB-CG1 4.37Å; W28-V40 WeakPolarHBondContact O-CB 3.11Å; W28-V40 PolarHBondContact O-N 2.87Å; W28-A41 PolarHBondContact N-O 2.79Å; W28-A41 PolarHBondContact O-N 2.97Å; W28-L71 HydrophobicContact CD2-CD2 4.39Å; W28-L71 HydrophobicContact CG-CD2 4.32Å; W28-L71 HydrophobicContact CZ2-CD2 4.41Å; W28-L71 VanDerWaalsContact NE1-CD2 3.31Å; W28-L73 HydrophobicContact CB-CD2 4.32Å; W28-L73 HydrophobicContact CD2-CB 4.14Å; W28-L73 HydrophobicContact CD2-CD2 4.16Å; W28-L73 HydrophobicContact CG-CB 4.26Å; W28-L73 HydrophobicContact CG-CD1 4.34Å; W28-L73 HydrophobicContact CG-CD2 4.02Å; W28-L73 HydrophobicContact CG-CG 4.45Å; W28-L73 HydrophobicContact CZ2-CB 4.15Å; W28-Y87 WeakPolarHBondContact CA-O 3.41Å; W28-C88 HydrophobicContact CE3-CB 4.45Å; W28-C88 HydrophobicContact CH2-CB 4.32Å; W28-C88 HydrophobicContact CZ2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.32Å
29	V	98.1	Very high	95.3	Very high	20 Å²	20	63.9 Å²	63.9	12%	0.121	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.4	174.3	-176.8	0	0	0	0	107.3	L37 E38 Y86 Y87 V89	V29-L37 HydrophobicContact CG1-CB 3.85Å; V29-L37 HydrophobicContact CG1-CD2 3.65Å; V29-L37 HydrophobicContact CG1-CG 4.28Å; V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.35Å; V29-E38 WeakPolarHBondContact CG1-O 3.31Å; V29-Y86 WeakPolarHBondContact O-CA 3.33Å; V29-Y87 PolarHBondContact N-O 2.99Å; V29-Y87 PolarHBondContact O-N 3.43Å; V29-V89 HydrophobicContact CG2-CG2 3.82Å
30	R	97.1	Very high	95.6	Very high	9 Å²	9	61.1 Å²	61.1	3%	0.034	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	155.3	175.1	73.4	-178.2	-176.9	-176.4	4.7	112.1	E38 V40 D82 A84 M85 Y86	R30-E38 HydrophobicContact CG-CB 4Å; R30-E38 IonicContact CZ-OE2 2.95Å; R30-E38 PolarHBondContact N-O 2.99Å; R30-E38 IonicContact NE-OE2 3.98Å; R30-E38 PolarHBondContact NE-OE2 3.04Å; R30-E38 IonicContact NH2-OE2 3.51Å; R30-E38 PolarHBondContact NH2-OE2 3.23Å; R30-E38 PolarHBondContact O-N 3.03Å; R30-V40 HydrophobicContact CB-CG2 3.85Å; R30-V40 HydrophobicContact CG-CG2 3.63Å; R30-D82 IonicContact CZ-OD1 3.41Å; R30-D82 IonicContact NH1-OD1 2.95Å; R30-D82 PolarHBondContact NH1-OD1 3.22Å; R30-A84 HydrophobicContact CB-CB 3.86Å; R30-A84 HydrophobicContact CG-CB 4.14Å; R30-M85 CarbonylContact C-O 3.48Å; R30-M85 WeakPolarHBondContact CA-O 3.3Å; R30-M85 WeakPolarHBondContact CB-O 3.43Å; R30-Y86 HydrophobicContact CB-CD1 3.77Å; R30-Y86 HydrophobicContact CB-CD2 4.41Å; R30-Y86 HydrophobicContact CB-CE1 3.7Å; R30-Y86 HydrophobicContact CB-CE2 4.34Å; R30-Y86 HydrophobicContact CB-CG 4.12Å; R30-Y86 WeakPolarHBondContact CD-OH 3.41Å; R30-Y86 HydrophobicContact CG-CE1 4.34Å; R30-Y86 PolarHBondContact NH1-OH 2.69Å
31	Q	96.5	Very high	95.7	Very high	81 Å²	81	56.5 Å²	56.5	38%	0.379	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	115.3	175.1	-167	176.3	14.7	0	0	109.6	K35 L37 A84 M85 Y87	Q31-K35 WeakPolarHBondContact CG-O 3.26Å; Q31-L37 HydrophobicContact CB-CD2 4.02Å; Q31-L37 HydrophobicContact CG-CD2 4.48Å; Q31-A84 WeakPolarHBondContact O-CA 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.49Å; Q31-M85 PolarHBondContact N-O 3.35Å; Q31-M85 PolarHBondContact O-N 2.88Å; Q31-Y87 HydrophobicContact CB-CE2 3.98Å
32	A	94.7	Very high	95.9	Very high	18 Å²	18	58.9 Å²	58.9	15%	0.149	32%	0.32	C	S	.	.			trans	-83	154.7	170.4	0	0	0	0	0	109.8	E34 K35 A84	A32-E34 PolarHBondContact O-N 2.89Å; A32-K35 HydrophobicContact CB-CB 4.12Å; A32-K35 HydrophobicContact CB-CD 4.33Å; A32-K35 HydrophobicContact CB-CG 4.24Å; A32-K35 PolarHBondContact O-N 3.1Å; A32-K35 VanDerWaalsContact O-O 3.12Å; A32-A84 HydrophobicContact CB-CB 4.34Å
33	P	90.3	Very high	96	Very high	134 Å²	134	56.3 Å²	56.3	87%	0.87	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-31.8	-174.5	-29.2	35.9	0	0	0	115.5
34	E	90.4	Very high	96.1	Very high	193 Å²	193	54.4 Å²	54.4	90%	0.902	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	10.5	-177.6	-60.1	-177.6	172	0	0	113.2	A32	A32-E34 PolarHBondContact O-N 2.89Å
35	K	89.7	Confident	96.1	Very high	111 Å²	111	51.9 Å²	51.9	48%	0.483	28%	0.278	S	S	.	.	S	Bend	trans	-127.5	157	-175.5	-61.3	-169.7	176.8	-177.7	0	112.3	Q31 A32 E38	Q31-K35 WeakPolarHBondContact CG-O 3.26Å; A32-K35 HydrophobicContact CB-CB 4.12Å; A32-K35 HydrophobicContact CB-CD 4.33Å; A32-K35 HydrophobicContact CB-CG 4.24Å; A32-K35 PolarHBondContact O-N 3.1Å; A32-K35 VanDerWaalsContact O-O 3.12Å; K35-E38 WeakPolarHBondContact CD-OE1 3.21Å; K35-E38 IonicContact NZ-OE1 2.88Å
36	G	92.2	Very high	96	Very high	51 Å²	51	53.9 Å²	53.9	53%	0.526	30%	0.298	S	S	.	.			trans	-67.6	-178.1	168.4	0	0	0	0	0	112.6	E38	G36-E38 PolarHBondContact O-N 3.17Å
37	L	94.8	Very high	95.9	Very high	119 Å²	119	56.2 Å²	56.2	62%	0.623	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	124.6	172.4	-72.3	166.4	0	0	0	110.1	V29 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.85Å; V29-L37 HydrophobicContact CG1-CD2 3.65Å; V29-L37 HydrophobicContact CG1-CG 4.28Å; Q31-L37 HydrophobicContact CB-CD2 4.02Å; Q31-L37 HydrophobicContact CG-CD2 4.48Å; L37-Y87 HydrophobicContact CD2-CD2 4.38Å
38	E	96.5	Very high	95.8	Very high	55 Å²	55	58.7 Å²	58.7	26%	0.257	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.7	174.7	-67	-177.9	177.3	0	0	109.4	V29 R30 K35 G36	V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.35Å; V29-E38 WeakPolarHBondContact CG1-O 3.31Å; R30-E38 HydrophobicContact CG-CB 4Å; R30-E38 IonicContact CZ-OE2 2.95Å; R30-E38 PolarHBondContact N-O 2.99Å; R30-E38 IonicContact NE-OE2 3.98Å; R30-E38 PolarHBondContact NE-OE2 3.04Å; R30-E38 IonicContact NH2-OE2 3.51Å; R30-E38 PolarHBondContact NH2-OE2 3.23Å; R30-E38 PolarHBondContact O-N 3.03Å; K35-E38 WeakPolarHBondContact CD-OE1 3.21Å; K35-E38 IonicContact NZ-OE1 2.88Å; G36-E38 PolarHBondContact O-N 3.17Å
39	W	97.7	Very high	95.8	Very high	103 Å²	103	60.6 Å²	60.6	39%	0.39	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	134.6	173.9	177.1	80.1	0	0	0	111	H27 A41 Y52	H27-W39 AromaticContact CG-NE1 4Å; H27-W39 AromaticContact ND1-CD1 3.81Å; H27-W39 AromaticContact ND1-NE1 3.21Å; H27-W39 PolarHBondContact ND1-NE1 2.88Å; W39-A41 PolarHBondContact NE1-O 2.68Å; W39-Y52 VanDerWaalsContact CZ3-C 3.47Å
40	V	98.1	Very high	95.8	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.006	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-53.1	-171.8	177.9	0	0	0	0	111.9	W28 R30 G53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.03Å; W28-V40 HydrophobicContact CB-CG1 4.37Å; W28-V40 WeakPolarHBondContact O-CB 3.11Å; W28-V40 PolarHBondContact O-N 2.87Å; R30-V40 HydrophobicContact CB-CG2 3.85Å; R30-V40 HydrophobicContact CG-CG2 3.63Å; V40-G53 PolarHBondContact O-N 2.96Å; V40-V56 HydrophobicContact CG1-CG1 4.37Å; V40-V56 HydrophobicContact CG1-CG2 4.02Å; V40-V56 WeakPolarHBondContact O-CG2 3.43Å; V40-F60 HydrophobicContact CG1-CD2 3.78Å; V40-F60 HydrophobicContact CG1-CE2 4.2Å; V40-L73 HydrophobicContact CG1-CD2 4.18Å; V40-Y86 HydrophobicContact CG2-CE1 4.18Å
41	A	98.5	Very high	95.9	Very high	0 Å²	0	69 Å²	69	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	160.2	-176.6	0	0	0	0	0	111.5	H27 W28 W39 Y51 Y52 I62 L73	H27-A41 CarbonylContact C-O 3.42Å; H27-A41 VanDerWaalsContact CA-O 3.24Å; H27-A41 WeakPolarHBondContact CA-O 3.23Å; W28-A41 PolarHBondContact N-O 2.79Å; W28-A41 PolarHBondContact O-N 2.97Å; W39-A41 PolarHBondContact NE1-O 2.68Å; A41-Y51 CarbonylContact C-O 3.59Å; A41-Y51 VanDerWaalsContact CA-O 3.25Å; A41-Y51 WeakPolarHBondContact CA-O 3.48Å; A41-Y52 HydrophobicContact CB-CD1 3.87Å; A41-Y52 HydrophobicContact CB-CE1 4.2Å; A41-I62 HydrophobicContact CB-CB 4Å; A41-I62 HydrophobicContact CB-CD1 3.99Å; A41-I62 HydrophobicContact CB-CG2 4.1Å; A41-L73 HydrophobicContact CB-CD1 4.5Å
42	Y	98.6	Very high	96	Very high	52 Å²	52	68 Å²	68	20%	0.204	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	145	175.1	167.7	-102.7	0	0	0	110.3	M26 H27 T49 I50 Y51	M26-Y42 WeakPolarHBondContact O-CA 3.44Å; M26-Y42 WeakPolarHBondContact O-CD2 3.38Å; H27-Y42 AromaticContact CD2-CD2 3.75Å; H27-Y42 AromaticContact CE1-CD2 3.21Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.39Å; H27-Y42 AromaticContact CE1-CE2 3.81Å; H27-Y42 AromaticContact CE1-CG 3.96Å; H27-Y42 AromaticContact CG-CD2 3.87Å; H27-Y42 AromaticContact ND1-CD2 3.57Å; H27-Y42 AromaticContact NE2-CD2 3.31Å; H27-Y42 VanDerWaalsContact NE2-CD2 3.31Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.46Å; H27-Y42 AromaticContact NE2-CE2 3.56Å; Y42-T49 HydrophobicContact CE1-CG2 4.46Å; Y42-I50 WeakPolarHBondContact O-CA 3.24Å; Y42-I50 WeakPolarHBondContact O-CG2 3.25Å; Y42-Y51 AromaticContact CD1-CD2 3.67Å; Y42-Y51 HydrophobicContact CD1-CD2 3.67Å; Y42-Y51 HydrophobicContact CD1-CE2 4.28Å; Y42-Y51 HydrophobicContact CE1-CD2 4.34Å; Y42-Y51 PolarHBondContact N-O 3.41Å; Y42-Y51 PolarHBondContact O-N 3.32Å
43	I	98.6	Very high	96.1	Very high	2 Å²	2	67.6 Å²	67.6	1%	0.01	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	130.1	169.9	-173.2	161.3	0	0	0	109.8	G25 M26 I50 I62 R64 L71	G25-I43 CarbonylContact C-O 3.56Å; G25-I43 VanDerWaalsContact CA-O 3.32Å; G25-I43 WeakPolarHBondContact CA-O 3.33Å; M26-I43 HydrophobicContact CB-CG2 4.18Å; M26-I43 PolarHBondContact N-O 3.36Å; M26-I43 PolarHBondContact O-N 2.97Å; I43-I50 HydrophobicContact CD1-CD1 4.1Å; I43-I50 HydrophobicContact CD1-CG1 4.28Å; I43-I50 HydrophobicContact CG1-CD1 4.4Å; I43-I50 HydrophobicContact CG1-CG1 4.03Å; I43-I62 HydrophobicContact CB-CD1 3.95Å; I43-I62 HydrophobicContact CB-CG1 4.18Å; I43-I62 HydrophobicContact CB-CG2 4.08Å; I43-I62 HydrophobicContact CG2-CD1 3.56Å; I43-I62 HydrophobicContact CG2-CG1 3.87Å; I43-R64 HydrophobicContact CD1-CG 3.89Å; I43-R64 HydrophobicContact CG1-CG 4.43Å; I43-L71 HydrophobicContact CG2-CD1 3.63Å
44	S	98.2	Very high	96.4	Very high	10 Å²	10	68.2 Å²	68.2	7%	0.07	37%	0.372	C	S	.	.			trans	-69.2	163.3	176.3	69.9	0	0	0	0	112.4	G46 S47 S48 T49	S44-G46 PolarHBondContact O-N 3.21Å; S44-G46 VanDerWaalsContact O-N 3.15Å; S44-S47 PolarHBondContact O-N 2.87Å; S44-S47 PolarHBondContact OG-N 2.78Å; S44-S48 PolarHBondContact OG-N 3.02Å; S44-S48 PolarHBondContact OG-OG 2.92Å; S44-T49 PolarHBondContact N-O 2.89Å; S44-T49 PolarHBondContact OG-N 2.88Å; S44-T49 VanDerWaalsContact OG-N 3.14Å
45	S	96.4	Very high	96.6	Very high	52 Å²	52	63.1 Å²	63.1	36%	0.364	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.8	175.9	54.4	0	0	0	0	114.6	S22 R64	S22-S45 VanDerWaalsContact O-CB 3.23Å; S22-S45 WeakPolarHBondContact O-CB 3.38Å; S45-R64 PolarHBondContact O-NH1 2.81Å
46	G	94.7	Very high	96.9	Very high	57 Å²	57	57.8 Å²	57.8	59%	0.588	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-0.7	172.5	0	0	0	0	0	113.9	S44 S48	S44-G46 PolarHBondContact O-N 3.21Å; S44-G46 VanDerWaalsContact O-N 3.15Å; G46-S48 PolarHBondContact O-N 3.14Å
47	S	96.5	Very high	97.1	Very high	53 Å²	53	62.3 Å²	62.3	37%	0.371	34%	0.336	S	S	.	.	S	Bend	trans	57.3	13.1	-169	-51.8	0	0	0	0	114.4	S44 T49	S44-S47 PolarHBondContact O-N 2.87Å; S44-S47 PolarHBondContact OG-N 2.78Å; S47-T49 VanDerWaalsContact C-N 3.32Å
48	S	96.7	Very high	97.2	Very high	103 Å²	103	60.4 Å²	60.4	72%	0.72	35%	0.345	S	S	*	.			trans	-75.4	-23.1	179.6	59.3	0	0	0	0	113	S44 G46	S44-S48 PolarHBondContact OG-N 3.02Å; S44-S48 PolarHBondContact OG-OG 2.92Å; G46-S48 PolarHBondContact O-N 3.14Å
49	T	98.1	Very high	97.2	Very high	49 Å²	49	58.8 Å²	58.8	30%	0.301	34%	0.337	S	S	.	.			trans	-129.1	124.9	-177.5	-52.2	0	0	0	0	108.3	Y42 S44 S47 Y51	Y42-T49 HydrophobicContact CE1-CG2 4.46Å; S44-T49 PolarHBondContact N-O 2.89Å; S44-T49 PolarHBondContact OG-N 2.88Å; S44-T49 VanDerWaalsContact OG-N 3.14Å; S47-T49 VanDerWaalsContact C-N 3.32Å; T49-Y51 HydrophobicContact CG2-CD2 4.06Å; T49-Y51 HydrophobicContact CG2-CE1 4.32Å; T49-Y51 HydrophobicContact CG2-CE2 3.31Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.46Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.25Å
50	I	98.6	Very high	97.2	Very high	65 Å²	65	54 Å²	54	33%	0.333	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	130.8	179.6	-58.9	178.9	0	0	0	108.2	Y42 I43 Y52 I62	Y42-I50 WeakPolarHBondContact O-CA 3.24Å; Y42-I50 WeakPolarHBondContact O-CG2 3.25Å; I43-I50 HydrophobicContact CD1-CD1 4.1Å; I43-I50 HydrophobicContact CD1-CG1 4.28Å; I43-I50 HydrophobicContact CG1-CD1 4.4Å; I43-I50 HydrophobicContact CG1-CG1 4.03Å; I50-Y52 HydrophobicContact CG2-CD2 4.18Å; I50-Y52 HydrophobicContact CG2-CE1 4.21Å; I50-Y52 HydrophobicContact CG2-CE2 3.42Å; I50-Y52 VanDerWaalsContact CG2-CE2 3.42Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.44Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.36Å; I50-I62 HydrophobicContact CG2-CG2 3.5Å; I50-I62 VanDerWaalsContact CG2-CG2 3.5Å
51	Y	98.5	Very high	97.2	Very high	141 Å²	141	57.6 Å²	57.6	55%	0.553	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.6	174	-59.2	-66.1	0	0	0	110.2	A41 Y42 T49	A41-Y51 CarbonylContact C-O 3.59Å; A41-Y51 VanDerWaalsContact CA-O 3.25Å; A41-Y51 WeakPolarHBondContact CA-O 3.48Å; Y42-Y51 AromaticContact CD1-CD2 3.67Å; Y42-Y51 HydrophobicContact CD1-CD2 3.67Å; Y42-Y51 HydrophobicContact CD1-CE2 4.28Å; Y42-Y51 HydrophobicContact CE1-CD2 4.34Å; Y42-Y51 PolarHBondContact N-O 3.41Å; Y42-Y51 PolarHBondContact O-N 3.32Å; T49-Y51 HydrophobicContact CG2-CD2 4.06Å; T49-Y51 HydrophobicContact CG2-CE1 4.32Å; T49-Y51 HydrophobicContact CG2-CE2 3.31Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.46Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.25Å
52	Y	98.6	Very high	97.2	Very high	60 Å²	60	57.7 Å²	57.7	24%	0.235	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.5	178.5	-62.9	-77.7	0	0	0	109.4	W39 A41 I50 F60 I62	W39-Y52 VanDerWaalsContact CZ3-C 3.47Å; A41-Y52 HydrophobicContact CB-CD1 3.87Å; A41-Y52 HydrophobicContact CB-CE1 4.2Å; I50-Y52 HydrophobicContact CG2-CD2 4.18Å; I50-Y52 HydrophobicContact CG2-CE1 4.21Å; I50-Y52 HydrophobicContact CG2-CE2 3.42Å; I50-Y52 VanDerWaalsContact CG2-CE2 3.42Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.44Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.36Å; Y52-F60 WeakPolarHBondContact CE1-O 3.47Å; Y52-I62 HydrophobicContact CE1-CB 4.36Å; Y52-I62 HydrophobicContact CE1-CG2 3.86Å; Y52-I62 PolarHBondContact OH-N 3.29Å
53	G	97.5	Very high	97.2	Very high	9 Å²	9	57.4 Å²	57.4	9%	0.093	35%	0.346	C	S	.	.			trans	-64.1	146	168.9	0	0	0	0	0	110.6	V40 T55 V56 K57	V40-G53 PolarHBondContact O-N 2.96Å; G53-T55 PolarHBondContact O-N 3.05Å; G53-T55 VanDerWaalsContact O-N 3.14Å; G53-V56 VanDerWaalsContact O-CG2 3.26Å; G53-V56 WeakPolarHBondContact O-CG2 3.46Å; G53-V56 PolarHBondContact O-N 2.99Å; G53-K57 PolarHBondContact O-N 2.87Å
54	D	96	Very high	97.2	Very high	147 Å²	147	58.6 Å²	58.6	79%	0.786	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-31.7	-173.1	-65.6	-38.2	0	0	0	113	V56	D54-V56 VanDerWaalsContact C-N 3.26Å; D54-V56 PolarHBondContact O-N 3.14Å
55	T	93.7	Very high	97.1	Very high	85 Å²	85	60.4 Å²	60.4	52%	0.521	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-19.8	-179.8	59	0	0	0	0	113.9	G53 R59	G53-T55 PolarHBondContact O-N 3.05Å; G53-T55 VanDerWaalsContact O-N 3.14Å; T55-R59 PolarHBondContact O-NH2 2.94Å
56	V	96.5	Very high	97.1	Very high	0 Å²	0	61 Å²	61	0%	0	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-9.5	-174.7	-59.6	0	0	0	0	113.4	V40 G53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG1 4.37Å; V40-V56 HydrophobicContact CG1-CG2 4.02Å; V40-V56 WeakPolarHBondContact O-CG2 3.43Å; G53-V56 VanDerWaalsContact O-CG2 3.26Å; G53-V56 WeakPolarHBondContact O-CG2 3.46Å; G53-V56 PolarHBondContact O-N 2.99Å; D54-V56 VanDerWaalsContact C-N 3.26Å; D54-V56 PolarHBondContact O-N 3.14Å; V56-G58 PolarHBondContact O-N 3.24Å; V56-R59 PolarHBondContact O-N 2.96Å; V56-F60 HydrophobicContact CB-CB 4.1Å; V56-F60 HydrophobicContact CB-CD1 4.3Å; V56-F60 HydrophobicContact CB-CD2 3.59Å; V56-F60 HydrophobicContact CB-CE2 3.97Å; V56-F60 HydrophobicContact CB-CG 3.75Å; V56-F60 HydrophobicContact CB-CZ 4.45Å; V56-F60 HydrophobicContact CG1-CD2 3.59Å; V56-F60 HydrophobicContact CG1-CE1 4.47Å; V56-F60 HydrophobicContact CG1-CE2 3.43Å; V56-F60 VanDerWaalsContact CG1-CE2 3.43Å; V56-F60 HydrophobicContact CG1-CG 4.18Å; V56-F60 HydrophobicContact CG1-CZ 3.89Å; V56-F60 HydrophobicContact CG2-CB 4.43Å; V56-F60 HydrophobicContact CG2-CD2 4.17Å; V56-F60 HydrophobicContact CG2-CG 4.48Å; V56-F60 PolarHBondContact O-N 3.49Å
57	K	96.3	Very high	97.2	Very high	145 Å²	145	62.9 Å²	62.9	63%	0.63	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	130.4	179.4	-167.9	173.9	-175.2	176.7	0	110.7	G53 R59	G53-K57 PolarHBondContact O-N 2.87Å; K57-R59 VanDerWaalsContact C-N 3.27Å; K57-R59 PolarHBondContact O-N 3.06Å
58	G	96.4	Very high	97.2	Very high	79 Å²	79	67.3 Å²	67.3	81%	0.814	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-5.4	-177	0	0	0	0	0	115.3	V56	V56-G58 PolarHBondContact O-N 3.24Å
59	R	97.4	Very high	97.2	Very high	22 Å²	22	65.6 Å²	65.6	8%	0.083	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-35.3	176.7	-59.5	-170.8	-58.6	114.6	0.2	112.5	T55 V56 K57 T76 S77 D82	T55-R59 PolarHBondContact O-NH2 2.94Å; V56-R59 PolarHBondContact O-N 2.96Å; K57-R59 VanDerWaalsContact C-N 3.27Å; K57-R59 PolarHBondContact O-N 3.06Å; R59-T76 PolarHBondContact O-N 3.2Å; R59-T76 PolarHBondContact O-OG1 2.97Å; R59-S77 PolarHBondContact NH1-O 3.27Å; R59-D82 IonicContact CZ-OD1 3.87Å; R59-D82 IonicContact CZ-OD2 3.4Å; R59-D82 IonicContact NH1-OD1 3.84Å; R59-D82 IonicContact NH1-OD2 2.68Å; R59-D82 PolarHBondContact NH1-OD2 3.23Å; R59-D82 IonicContact NH2-OD1 2.96Å; R59-D82 PolarHBondContact NH2-OD1 2.59Å; R59-D82 IonicContact NH2-OD2 3.23Å; R59-D82 PolarHBondContact NH2-OD2 3.47Å
60	F	98	Very high	97.2	Very high	3 Å²	3	64.5 Å²	64.5	1%	0.013	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	144.7	-178.2	-66.1	10.8	0	0	0	110.4	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD2 3.78Å; V40-F60 HydrophobicContact CG1-CE2 4.2Å; Y52-F60 WeakPolarHBondContact CE1-O 3.47Å; V56-F60 HydrophobicContact CB-CB 4.1Å; V56-F60 HydrophobicContact CB-CD1 4.3Å; V56-F60 HydrophobicContact CB-CD2 3.59Å; V56-F60 HydrophobicContact CB-CE2 3.97Å; V56-F60 HydrophobicContact CB-CG 3.75Å; V56-F60 HydrophobicContact CB-CZ 4.45Å; V56-F60 HydrophobicContact CG1-CD2 3.59Å; V56-F60 HydrophobicContact CG1-CE1 4.47Å; V56-F60 HydrophobicContact CG1-CE2 3.43Å; V56-F60 VanDerWaalsContact CG1-CE2 3.43Å; V56-F60 HydrophobicContact CG1-CG 4.18Å; V56-F60 HydrophobicContact CG1-CZ 3.89Å; V56-F60 HydrophobicContact CG2-CB 4.43Å; V56-F60 HydrophobicContact CG2-CD2 4.17Å; V56-F60 HydrophobicContact CG2-CG 4.48Å; V56-F60 PolarHBondContact O-N 3.49Å; F60-L73 HydrophobicContact CB-CD1 4.22Å; F60-L73 HydrophobicContact CD2-CD1 4.5Å; F60-L73 HydrophobicContact CD2-CD2 4.1Å; F60-L73 HydrophobicContact CD2-CG 4.47Å; F60-Q74 CarbonylContact C-O 3.54Å; F60-Q74 VanDerWaalsContact CA-O 3.27Å; F60-Q74 WeakPolarHBondContact CA-O 3.32Å; F60-M75 HydrophobicContact CD1-CB 3.79Å; F60-M75 HydrophobicContact CD1-CG 4.09Å; F60-M75 HydrophobicContact CD2-CE 4.3Å; F60-M75 HydrophobicContact CD2-CG 4.04Å; F60-M75 HydrophobicContact CE1-CB 3.73Å; F60-M75 HydrophobicContact CE1-CE 4.12Å; F60-M75 HydrophobicContact CE1-CG 4.12Å; F60-M75 HydrophobicContact CE2-CE 3.41Å; F60-M75 VanDerWaalsContact CE2-CE 3.41Å; F60-M75 HydrophobicContact CE2-CG 4.04Å; F60-M75 HydrophobicContact CE2-SD 4.5Å; F60-M75 HydrophobicContact CG-CB 4.29Å; F60-M75 HydrophobicContact CG-CG 4.1Å; F60-M75 HydrophobicContact CZ-CB 4.13Å; F60-M75 HydrophobicContact CZ-CE 3.32Å; F60-M75 HydrophobicContact CZ-CG 4.1Å; F60-L78 HydrophobicContact CE1-CD2 4.1Å; F60-L78 HydrophobicContact CZ-CD2 4.13Å; F60-D82 HydrophobicContact CZ-CB 4.13Å; F60-Y86 HydrophobicContact CE2-CE1 4.27Å
61	T	98.4	Very high	97.2	Very high	75 Å²	75	61.4 Å²	61.4	46%	0.46	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	116.2	177.6	-54.3	0	0	0	0	109.1	Q74	T61-Q74 PolarHBondContact N-O 3.17Å; T61-Q74 PolarHBondContact O-N 3.36Å
62	I	98.6	Very high	97.2	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.015	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	138.1	173.7	-170.3	172.9	0	0	0	109.1	A41 I43 I50 Y52 L71 L72 L73	A41-I62 HydrophobicContact CB-CB 4Å; A41-I62 HydrophobicContact CB-CD1 3.99Å; A41-I62 HydrophobicContact CB-CG2 4.1Å; I43-I62 HydrophobicContact CB-CD1 3.95Å; I43-I62 HydrophobicContact CB-CG1 4.18Å; I43-I62 HydrophobicContact CB-CG2 4.08Å; I43-I62 HydrophobicContact CG2-CD1 3.56Å; I43-I62 HydrophobicContact CG2-CG1 3.87Å; I50-I62 HydrophobicContact CG2-CG2 3.5Å; I50-I62 VanDerWaalsContact CG2-CG2 3.5Å; Y52-I62 HydrophobicContact CE1-CB 4.36Å; Y52-I62 HydrophobicContact CE1-CG2 3.86Å; Y52-I62 PolarHBondContact OH-N 3.29Å; I62-L71 HydrophobicContact CD1-CD1 4.09Å; I62-L71 HydrophobicContact CG1-CD1 4.05Å; I62-L72 WeakPolarHBondContact CA-O 3.38Å; I62-L73 HydrophobicContact CB-CD1 4.23Å
63	S	98.4	Very high	97.2	Very high	45 Å²	45	53.3 Å²	53.3	32%	0.315	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	165.4	173.1	52	0	0	0	0	110.2	L72	S63-L72 PolarHBondContact N-O 3.34Å; S63-L72 PolarHBondContact O-N 3.06Å; S63-L72 VanDerWaalsContact O-O 3.14Å; S63-L72 WeakPolarHBondContact OG-CB 3.12Å
64	R	97.9	Very high	97.2	Very high	28 Å²	28	55.9 Å²	55.9	11%	0.106	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	151.1	-179.3	64.4	-166.3	-70.2	-102.8	11.5	112	F21 Y24 I43 S45 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.06Å; F21-R64 HydrophobicContact CZ-CB 4Å; F21-R64 PolarHBondContact O-NH2 2.83Å; Y24-R64 PolarHBondContact O-NH2 2.83Å; I43-R64 HydrophobicContact CD1-CG 3.89Å; I43-R64 HydrophobicContact CG1-CG 4.43Å; S45-R64 PolarHBondContact O-NH1 2.81Å; R64-N66 PolarHBondContact NE-OD1 2.9Å; R64-N66 PolarHBondContact NH1-ND2 2.93Å; R64-N66 PolarHBondContact NH1-OD1 2.88Å; R64-N66 PolarHBondContact NH2-OD1 3.2Å; R64-T70 CarbonylContact C-O 3.59Å; R64-T70 WeakPolarHBondContact CA-O 3.32Å; R64-L71 HydrophobicContact CB-CD1 4.09Å
65	D	97	Very high	97.3	Very high	48 Å²	48	49 Å²	49	26%	0.257	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	108.1	173.8	-175.4	-26.1	0	0	0	108.3	A67 K68 N69 T70	D65-A67 WeakPolarHBondContact OD1-CB 3.27Å; D65-A67 PolarHBondContact OD1-N 3.38Å; D65-K68 HydrophobicContact CB-CB 4.19Å; D65-K68 PolarHBondContact O-N 2.01Å; D65-K68 PolarHBondContact OD1-N 2.92Å; D65-K68 WeakPolarHBondContact OD2-CD 2.98Å; D65-K68 VanDerWaalsContact OD2-CE 3.31Å; D65-K68 WeakPolarHBondContact OD2-CE 3.02Å; D65-K68 WeakPolarHBondContact OD2-CG 3.49Å; D65-K68 IonicContact OD2-NZ 3.5Å; D65-N69 PolarHBondContact O-N 3.15Å; D65-T70 PolarHBondContact N-O 2.79Å; D65-T70 PolarHBondContact O-N 3.42Å
66	N	96.3	Very high	97.5	Very high	65 Å²	65	47.2 Å²	47.2	35%	0.348	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-29.7	-178	-71.8	-16.3	0	0	0	112.9	F21 R64 K68 N69	F21-N66 WeakPolarHBondContact CE1-OD1 3.36Å; R64-N66 PolarHBondContact NE-OD1 2.9Å; R64-N66 PolarHBondContact NH1-ND2 2.93Å; R64-N66 PolarHBondContact NH1-OD1 2.88Å; R64-N66 PolarHBondContact NH2-OD1 3.2Å; N66-K68 VanDerWaalsContact C-N 3.27Å; N66-N69 PolarHBondContact O-OD1 2.96Å
67	A	95.6	Very high	97.4	Very high	96 Å²	96	50.3 Å²	50.3	79%	0.793	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-30.7	177.4	0	0	0	0	0	110.9	D65	D65-A67 WeakPolarHBondContact OD1-CB 3.27Å; D65-A67 PolarHBondContact OD1-N 3.38Å
68	K	96.8	Very high	97.4	Very high	146 Å²	146	44.4 Å²	44.4	64%	0.635	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	4.4	179.4	-60.1	-177.1	-167.4	158.8	0	114.2	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.19Å; D65-K68 PolarHBondContact O-N 2.01Å; D65-K68 PolarHBondContact OD1-N 2.92Å; D65-K68 WeakPolarHBondContact OD2-CD 2.98Å; D65-K68 VanDerWaalsContact OD2-CE 3.31Å; D65-K68 WeakPolarHBondContact OD2-CE 3.02Å; D65-K68 WeakPolarHBondContact OD2-CG 3.49Å; D65-K68 IonicContact OD2-NZ 3.5Å; N66-K68 VanDerWaalsContact C-N 3.27Å; K68-T70 PolarHBondContact O-N 3.33Å; K68-T70 VanDerWaalsContact O-N 3.09Å; K68-T70 PolarHBondContact O-OG1 2.84Å
69	N	97.1	Very high	97.3	Very high	66 Å²	66	47.1 Å²	47.1	35%	0.353	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	46	40.6	-173.6	-61.3	-37.4	0	0	0	112.9	A16 F21 D65 N66	A16-N69 PolarHBondContact N-O 3.19Å; F21-N69 HydrophobicContact CB-CB 3.99Å; F21-N69 WeakPolarHBondContact CB-OD1 3.48Å; F21-N69 HydrophobicContact CG-CB 4.23Å; D65-N69 PolarHBondContact O-N 3.15Å; N66-N69 PolarHBondContact O-OD1 2.96Å
70	T	98.1	Very high	97	Very high	26 Å²	26	50 Å²	50	16%	0.16	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.3	-170.3	-61.4	0	0	0	0	111.3	C14 R64 D65 K68 L72	C14-T70 CarbonylContact O-C 3.56Å; C14-T70 WeakPolarHBondContact O-CA 3.21Å; R64-T70 CarbonylContact C-O 3.59Å; R64-T70 WeakPolarHBondContact CA-O 3.32Å; D65-T70 PolarHBondContact N-O 2.79Å; D65-T70 PolarHBondContact O-N 3.42Å; K68-T70 PolarHBondContact O-N 3.33Å; K68-T70 VanDerWaalsContact O-N 3.09Å; K68-T70 PolarHBondContact O-OG1 2.84Å; T70-L72 HydrophobicContact CG2-CD2 3.91Å; T70-L72 HydrophobicContact CG2-CG 4.18Å
71	L	98.5	Very high	96.7	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	138.2	168.6	-169.5	69.9	0	0	0	110	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.51Å; S13-L71 WeakPolarHBondContact CA-O 3.46Å; C14-L71 HydrophobicContact CB-CB 4.36Å; C14-L71 PolarHBondContact N-O 2.88Å; C14-L71 PolarHBondContact O-N 2.79Å; F21-L71 HydrophobicContact CE2-CB 4.32Å; F21-L71 HydrophobicContact CZ-CB 4.25Å; M26-L71 HydrophobicContact CB-CD1 3.71Å; M26-L71 HydrophobicContact CB-CD2 3.86Å; M26-L71 HydrophobicContact CB-CG 4.35Å; M26-L71 HydrophobicContact CG-CD1 4.33Å; W28-L71 HydrophobicContact CD2-CD2 4.39Å; W28-L71 HydrophobicContact CG-CD2 4.32Å; W28-L71 HydrophobicContact CZ2-CD2 4.41Å; W28-L71 VanDerWaalsContact NE1-CD2 3.31Å; I43-L71 HydrophobicContact CG2-CD1 3.63Å; I62-L71 HydrophobicContact CD1-CD1 4.09Å; I62-L71 HydrophobicContact CG1-CD1 4.05Å; R64-L71 HydrophobicContact CB-CD1 4.09Å; L71-C88 HydrophobicContact CD2-CB 3.9Å
72	L	98.3	Very high	96.5	Very high	31 Å²	31	51.9 Å²	51.9	16%	0.162	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142	-177.1	-61.6	164.5	0	0	0	110	L12 I62 S63 T70	L12-L72 WeakPolarHBondContact O-CA 3.43Å; I62-L72 WeakPolarHBondContact CA-O 3.38Å; S63-L72 PolarHBondContact N-O 3.34Å; S63-L72 PolarHBondContact O-N 3.06Å; S63-L72 VanDerWaalsContact O-O 3.14Å; S63-L72 WeakPolarHBondContact OG-CB 3.12Å; T70-L72 HydrophobicContact CG2-CD2 3.91Å; T70-L72 HydrophobicContact CG2-CG 4.18Å
73	L	98.5	Very high	96.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	109.2	168.6	-169.1	66.2	0	0	0	108.7	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 WeakPolarHBondContact CA-O 3.36Å; L12-L73 HydrophobicContact CB-CB 4.27Å; L12-L73 HydrophobicContact CD1-CD2 4.44Å; L12-L73 PolarHBondContact N-O 2.95Å; L12-L73 PolarHBondContact O-N 3.27Å; W28-L73 HydrophobicContact CB-CD2 4.32Å; W28-L73 HydrophobicContact CD2-CB 4.14Å; W28-L73 HydrophobicContact CD2-CD2 4.16Å; W28-L73 HydrophobicContact CG-CB 4.26Å; W28-L73 HydrophobicContact CG-CD1 4.34Å; W28-L73 HydrophobicContact CG-CD2 4.02Å; W28-L73 HydrophobicContact CG-CG 4.45Å; W28-L73 HydrophobicContact CZ2-CB 4.15Å; V40-L73 HydrophobicContact CG1-CD2 4.18Å; A41-L73 HydrophobicContact CB-CD1 4.5Å; F60-L73 HydrophobicContact CB-CD1 4.22Å; F60-L73 HydrophobicContact CD2-CD1 4.5Å; F60-L73 HydrophobicContact CD2-CD2 4.1Å; F60-L73 HydrophobicContact CD2-CG 4.47Å; I62-L73 HydrophobicContact CB-CD1 4.23Å; L73-M75 HydrophobicContact CD2-CG 3.91Å; L73-M75 HydrophobicContact CD2-SD 4.13Å; L73-M75 HydrophobicContact CG-CG 3.85Å; L73-Y86 HydrophobicContact CD2-CD1 4.11Å; L73-Y86 HydrophobicContact CD2-CE1 4.24Å
74	Q	98.1	Very high	96.1	Very high	64 Å²	64	55.6 Å²	55.6	30%	0.299	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	123.4	167.8	-175.2	66.4	33.5	0	0	107.8	F60 T61 T76	F60-Q74 CarbonylContact C-O 3.54Å; F60-Q74 VanDerWaalsContact CA-O 3.27Å; F60-Q74 WeakPolarHBondContact CA-O 3.32Å; T61-Q74 PolarHBondContact N-O 3.17Å; T61-Q74 PolarHBondContact O-N 3.36Å; Q74-T76 HydrophobicContact CG-CG2 4.31Å
75	M	97.4	Very high	96	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.015	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.3	-179.4	-53.9	165.1	77.9	0	0	107.6	S9 L10 L12 F60 L73 L78 Y86	S9-M75 CarbonylContact C-O 3.56Å; S9-M75 WeakPolarHBondContact CA-O 3.36Å; S9-M75 WeakPolarHBondContact CB-O 3.31Å; L10-M75 PolarHBondContact N-O 2.95Å; L10-M75 WeakPolarHBondContact O-CB 3.13Å; L10-M75 PolarHBondContact O-N 2.99Å; L12-M75 HydrophobicContact CD1-SD 3.76Å; L12-M75 HydrophobicContact CG-SD 3.91Å; F60-M75 HydrophobicContact CD1-CB 3.79Å; F60-M75 HydrophobicContact CD1-CG 4.09Å; F60-M75 HydrophobicContact CD2-CE 4.3Å; F60-M75 HydrophobicContact CD2-CG 4.04Å; F60-M75 HydrophobicContact CE1-CB 3.73Å; F60-M75 HydrophobicContact CE1-CE 4.12Å; F60-M75 HydrophobicContact CE1-CG 4.12Å; F60-M75 HydrophobicContact CE2-CE 3.41Å; F60-M75 VanDerWaalsContact CE2-CE 3.41Å; F60-M75 HydrophobicContact CE2-CG 4.04Å; F60-M75 HydrophobicContact CE2-SD 4.5Å; F60-M75 HydrophobicContact CG-CB 4.29Å; F60-M75 HydrophobicContact CG-CG 4.1Å; F60-M75 HydrophobicContact CZ-CB 4.13Å; F60-M75 HydrophobicContact CZ-CE 3.32Å; F60-M75 HydrophobicContact CZ-CG 4.1Å; L73-M75 HydrophobicContact CD2-CG 3.91Å; L73-M75 HydrophobicContact CD2-SD 4.13Å; L73-M75 HydrophobicContact CG-CG 3.85Å; M75-L78 HydrophobicContact CB-CD2 3.81Å; M75-L78 HydrophobicContact CB-CG 4.36Å; M75-L78 HydrophobicContact CE-CD2 3.59Å; M75-L78 HydrophobicContact SD-CD2 4.42Å; M75-Y86 HydrophobicContact CE-CD1 4.5Å; M75-Y86 HydrophobicContact CE-CE1 3.67Å; M75-Y86 HydrophobicContact CE-CE2 3.86Å; M75-Y86 VanDerWaalsContact CE-OH 3.25Å; M75-Y86 WeakPolarHBondContact CE-OH 3.48Å
76	T	96.8	Very high	96	Very high	46 Å²	46	59.5 Å²	59.5	28%	0.282	33%	0.325	S	S	.	.			trans	-114.9	161	175.5	67.6	0	0	0	0	110.6	R59 Q74 L78	R59-T76 PolarHBondContact O-N 3.2Å; R59-T76 PolarHBondContact O-OG1 2.97Å; Q74-T76 HydrophobicContact CG-CG2 4.31Å; T76-L78 VanDerWaalsContact C-N 3.28Å; T76-L78 PolarHBondContact O-N 2.92Å
77	S	95.4	Very high	96.1	Very high	66 Å²	66	60.7 Å²	60.7	46%	0.462	33%	0.325	S	S	.	.	S	Bend	trans	48.9	51.2	179.1	-56.7	0	0	0	0	112.1	G8 R59	G8-S77 PolarHBondContact O-N 3.38Å; R59-S77 PolarHBondContact NH1-O 3.27Å
78	L	95.8	Very high	96.1	Very high	21 Å²	21	58.2 Å²	58.2	11%	0.11	30%	0.301	C	S	.	.			trans	-60.5	139.5	-178.1	-76.4	169.1	0	0	0	111.5	V4 G7 G8 L10 F60 M75 T76 D82	V4-L78 HydrophobicContact CB-CD1 4.01Å; V4-L78 HydrophobicContact CG1-CD1 4.05Å; V4-L78 HydrophobicContact CG2-CD1 4.41Å; G7-L78 PolarHBondContact N-O 2.8Å; G8-L78 PolarHBondContact O-N 2.96Å; L10-L78 HydrophobicContact CB-CD1 3.82Å; F60-L78 HydrophobicContact CE1-CD2 4.1Å; F60-L78 HydrophobicContact CZ-CD2 4.13Å; M75-L78 HydrophobicContact CB-CD2 3.81Å; M75-L78 HydrophobicContact CB-CG 4.36Å; M75-L78 HydrophobicContact CE-CD2 3.59Å; M75-L78 HydrophobicContact SD-CD2 4.42Å; T76-L78 VanDerWaalsContact C-N 3.28Å; T76-L78 PolarHBondContact O-N 2.92Å; L78-D82 HydrophobicContact CD2-CB 3.97Å
79	R	94.1	Very high	96.1	Very high	136 Å²	136	54.2 Å²	54.2	51%	0.513	29%	0.289	S	S	.	.			trans	-116.1	166.3	177.5	-54.2	176.6	-179.5	171.5	-1.8	110.5	E81 D82	R79-E81 WeakPolarHBondContact CB-OE2 3.23Å; R79-E81 PolarHBondContact O-N 2.83Å; R79-D82 PolarHBondContact N-OD2 3Å; R79-D82 WeakPolarHBondContact O-CB 3.47Å; R79-D82 PolarHBondContact O-N 2.87Å
80	S	91.3	Very high	95.9	Very high	83 Å²	83	57.9 Å²	57.9	58%	0.58	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-53.3	-40.6	174.2	25.1	0	0	0	0	112	D82 T83	S80-D82 PolarHBondContact O-N 2.83Å; S80-T83 VanDerWaalsContact O-CB 3.28Å; S80-T83 WeakPolarHBondContact O-CB 3.32Å; S80-T83 PolarHBondContact O-N 2.84Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 3.3Å
81	E	91.5	Very high	95.8	Very high	108 Å²	108	59.5 Å²	59.5	51%	0.505	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-68.1	-14	-178.6	-51.6	73.2	-126.5	0	0	113.2	R79 T83	R79-E81 WeakPolarHBondContact CB-OE2 3.23Å; R79-E81 PolarHBondContact O-N 2.83Å; E81-T83 VanDerWaalsContact C-N 3.26Å
82	D	94.1	Very high	95.6	Very high	8 Å²	8	62.6 Å²	62.6	4%	0.043	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-84.2	-3.4	176.2	-58.8	-47.2	0	0	0	112.8	R30 R59 F60 L78 R79 S80 A84 Y86	R30-D82 IonicContact CZ-OD1 3.41Å; R30-D82 IonicContact NH1-OD1 2.95Å; R30-D82 PolarHBondContact NH1-OD1 3.22Å; R59-D82 IonicContact CZ-OD1 3.87Å; R59-D82 IonicContact CZ-OD2 3.4Å; R59-D82 IonicContact NH1-OD1 3.84Å; R59-D82 IonicContact NH1-OD2 2.68Å; R59-D82 PolarHBondContact NH1-OD2 3.23Å; R59-D82 IonicContact NH2-OD1 2.96Å; R59-D82 PolarHBondContact NH2-OD1 2.59Å; R59-D82 IonicContact NH2-OD2 3.23Å; R59-D82 PolarHBondContact NH2-OD2 3.47Å; F60-D82 HydrophobicContact CZ-CB 4.13Å; L78-D82 HydrophobicContact CD2-CB 3.97Å; R79-D82 PolarHBondContact N-OD2 3Å; R79-D82 WeakPolarHBondContact O-CB 3.47Å; R79-D82 PolarHBondContact O-N 2.87Å; S80-D82 PolarHBondContact O-N 2.83Å; D82-A84 PolarHBondContact O-N 3.03Å; D82-A84 VanDerWaalsContact O-N 3.14Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.34Å; D82-Y86 PolarHBondContact O-OH 2.96Å
83	T	94.1	Very high	95.5	Very high	103 Å²	103	64.3 Å²	64.3	63%	0.632	33%	0.33	S	S	*	.			trans	-71.2	105	176.5	-52.8	0	0	0	0	109.8	S80 E81	S80-T83 VanDerWaalsContact O-CB 3.28Å; S80-T83 WeakPolarHBondContact O-CB 3.32Å; S80-T83 PolarHBondContact O-N 2.84Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 3.3Å; E81-T83 VanDerWaalsContact C-N 3.26Å
84	A	95.3	Very high	95.3	Very high	24 Å²	24	68.1 Å²	68.1	20%	0.198	35%	0.349	C	S	.	.	S	Bend	trans	-159.2	165.4	-176.9	0	0	0	0	0	110.2	R30 Q31 A32 D82 Y86	R30-A84 HydrophobicContact CB-CB 3.86Å; R30-A84 HydrophobicContact CG-CB 4.14Å; Q31-A84 WeakPolarHBondContact O-CA 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.49Å; A32-A84 HydrophobicContact CB-CB 4.34Å; D82-A84 PolarHBondContact O-N 3.03Å; D82-A84 VanDerWaalsContact O-N 3.14Å; A84-Y86 HydrophobicContact CB-CD2 4.45Å; A84-Y86 HydrophobicContact CB-CE2 3.95Å; A84-Y86 VanDerWaalsContact O-CD2 3.23Å; A84-Y86 WeakPolarHBondContact O-CD2 3.32Å; A84-Y86 WeakPolarHBondContact O-CE2 3.43Å
85	M	96.3	Very high	95.1	Very high	118 Å²	118	68.4 Å²	68.4	58%	0.581	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	133.3	160.7	-70.2	-59.3	-61.9	0	0	109	R30 Q31 Y87	R30-M85 CarbonylContact C-O 3.48Å; R30-M85 WeakPolarHBondContact CA-O 3.3Å; R30-M85 WeakPolarHBondContact CB-O 3.43Å; Q31-M85 PolarHBondContact N-O 3.35Å; Q31-M85 PolarHBondContact O-N 2.88Å; M85-Y87 HydrophobicContact CB-CE2 3.69Å; M85-Y87 WeakPolarHBondContact CB-OH 3.5Å
86	Y	97.3	Very high	95	Very high	40 Å²	40	72.7 Å²	72.7	16%	0.157	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.6	-179.9	-74.3	-101.3	0	0	0	110.2	L12 V29 R30 V40 F60 L73 M75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.01Å; L12-Y86 HydrophobicContact CD1-CD2 4.06Å; L12-Y86 HydrophobicContact CD1-CG 3.61Å; V29-Y86 WeakPolarHBondContact O-CA 3.33Å; R30-Y86 HydrophobicContact CB-CD1 3.77Å; R30-Y86 HydrophobicContact CB-CD2 4.41Å; R30-Y86 HydrophobicContact CB-CE1 3.7Å; R30-Y86 HydrophobicContact CB-CE2 4.34Å; R30-Y86 HydrophobicContact CB-CG 4.12Å; R30-Y86 WeakPolarHBondContact CD-OH 3.41Å; R30-Y86 HydrophobicContact CG-CE1 4.34Å; R30-Y86 PolarHBondContact NH1-OH 2.69Å; V40-Y86 HydrophobicContact CG2-CE1 4.18Å; F60-Y86 HydrophobicContact CE2-CE1 4.27Å; L73-Y86 HydrophobicContact CD2-CD1 4.11Å; L73-Y86 HydrophobicContact CD2-CE1 4.24Å; M75-Y86 HydrophobicContact CE-CD1 4.5Å; M75-Y86 HydrophobicContact CE-CE1 3.67Å; M75-Y86 HydrophobicContact CE-CE2 3.86Å; M75-Y86 VanDerWaalsContact CE-OH 3.25Å; M75-Y86 WeakPolarHBondContact CE-OH 3.48Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.34Å; D82-Y86 PolarHBondContact O-OH 2.96Å; A84-Y86 HydrophobicContact CB-CD2 4.45Å; A84-Y86 HydrophobicContact CB-CE2 3.95Å; A84-Y86 VanDerWaalsContact O-CD2 3.23Å; A84-Y86 WeakPolarHBondContact O-CD2 3.32Å; A84-Y86 WeakPolarHBondContact O-CE2 3.43Å
87	Y	97.1	Very high	94.8	Very high	90 Å²	90	74.6 Å²	74.6	35%	0.353	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.8	-177.2	-53.6	-83.6	0	0	0	109.3	W28 V29 Q31 L37 M85	W28-Y87 WeakPolarHBondContact CA-O 3.41Å; V29-Y87 PolarHBondContact N-O 2.99Å; V29-Y87 PolarHBondContact O-N 3.43Å; Q31-Y87 HydrophobicContact CB-CE2 3.98Å; L37-Y87 HydrophobicContact CD2-CD2 4.38Å; M85-Y87 HydrophobicContact CB-CE2 3.69Å; M85-Y87 WeakPolarHBondContact CB-OH 3.5Å
88	C	96.4	Very high	94.8	Very high	43 Å²	43	75.3 Å²	75.3	29%	0.291	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	133.9	164	50.8	0	0	0	0	108.5	C14 H27 W28 L71	C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.38Å; C14-C88 WeakPolarHBondContact SG-CB 3.15Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.82Å; H27-C88 WeakPolarHBondContact O-CA 3.31Å; W28-C88 HydrophobicContact CE3-CB 4.45Å; W28-C88 HydrophobicContact CH2-CB 4.32Å; W28-C88 HydrophobicContact CZ2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.32Å; L71-C88 HydrophobicContact CD2-CB 3.9Å
89	V	96.4	Very high	94.7	Very high	62 Å²	62	79.8 Å²	79.8	38%	0.376	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.5	177	-58.4	0	0	0	0	109.9	H27 V29	H27-V89 HydrophobicContact CB-CG2 3.65Å; H27-V89 PolarHBondContact N-O 3Å; H27-V89 PolarHBondContact O-N 3.09Å; V29-V89 HydrophobicContact CG2-CG2 3.82Å
90	R	92.7	Very high	94.8	Very high	143 Å²	143	74.7 Å²	74.7	54%	0.54	39%	0.387	S	S	.	.			trans	-98.2	0	175.9	-174.5	-175.4	82.2	163.6	-6.6	109.5	F19 Y24 M26	F19-R90 VanDerWaalsContact CB-NH1 3.29Å; F19-R90 VanDerWaalsContact CD2-CD 3.41Å; F19-R90 HydrophobicContact CE2-CB 4.45Å; F19-R90 HydrophobicContact CE2-CG 4.03Å; F19-R90 HydrophobicContact CZ-CB 4.3Å; F19-R90 HydrophobicContact CZ-CG 4.38Å; Y24-R90 VanDerWaalsContact CB-CG 3.48Å; Y24-R90 HydrophobicContact CD1-CG 3.79Å; Y24-R90 HydrophobicContact CD2-CG 4.48Å; Y24-R90 HydrophobicContact CG-CG 3.68Å; Y24-R90 PolarHBondContact OH-NH1 3.06Å; M26-R90 HydrophobicContact CE-CB 4.15Å; M26-R90 HydrophobicContact SD-CB 4.05Å; M26-R90 HydrophobicContact SD-CG 4.01Å

Retrieved 90 of 90 residues in 50.9 ms (Link to these results)

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