X5J4K2_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4K2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 90 aa.

						>X5J4K2_MOUSE|X5J4K2
GGLVKPGGSLKLSCAASGFTFSDYGMHWVRQAPEKGLEWVAYISSGSSTIYYADTVKGRFTISRDNAKNTLFLQMTSLRSEDTAMYYCVR
					

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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	61.5	Low	85.7	Confident	112 Å²	112	88.8 Å²	88.8	100%	1.155	58%	0.577	S	S	*	*				0	161.5	0	0	0	0	0	0	109.1
2	G	76.8	Confident	86.7	Confident	46 Å²	46	83.1 Å²	83.1	47%	0.474	54%	0.538	S	S	.	.			trans	-118.6	159.8	-179.7	0	0	0	0	0	112.1
3	L	80.2	Confident	87.5	Confident	181 Å²	181	83.1 Å²	83.1	95%	0.948	54%	0.541	S	S	*	.			trans	-74.3	128.3	171.3	-176.4	68.9	0	0	0	109.2
4	V	86.6	Confident	88.2	Confident	53 Å²	53	78.4 Å²	78.4	32%	0.321	51%	0.511	S	S	.	.			trans	-129.4	143.2	178.9	-169	0	0	0	0	108.9	L10 L78	V4-L10 HydrophobicContact CG2-CB 4.02Å; V4-L10 HydrophobicContact CG2-CD1 3.97Å; V4-L10 HydrophobicContact CG2-CD2 4.31Å; V4-L10 HydrophobicContact CG2-CG 4.32Å; V4-L78 HydrophobicContact CB-CD1 4.11Å; V4-L78 HydrophobicContact CG1-CD1 4.31Å; V4-L78 HydrophobicContact CG2-CD1 4.49Å
5	K	84.5	Confident	88.8	Confident	176 Å²	176	78.6 Å²	78.6	77%	0.765	52%	0.522	S	S	*	.			trans	-66	150.2	174.1	-65.2	-176.5	-179.9	-178.7	0	110.4	G8	K5-G8 PolarHBondContact O-N 3.37Å
6	P	84.9	Confident	89.2	Confident	111 Å²	111	74.8 Å²	74.8	72%	0.721	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	142.5	170.5	-26.4	34.7	0	0	0	112	G8	P6-G8 PolarHBondContact O-N 2.99Å
7	G	88.3	Confident	89.6	Confident	55 Å²	55	76.6 Å²	76.6	57%	0.567	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	-11.6	-173.4	0	0	0	0	0	114.7	L78	G7-L78 PolarHBondContact N-O 2.8Å
8	G	92.8	Very high	89.9	Confident	22 Å²	22	77.2 Å²	77.2	23%	0.227	53%	0.534	C	S	.	.			trans	-72.8	-179.4	176.6	0	0	0	0	0	113.8	K5 P6 S77 L78	K5-G8 PolarHBondContact O-N 3.37Å; P6-G8 PolarHBondContact O-N 2.99Å; G8-S77 PolarHBondContact O-N 2.62Å; G8-L78 PolarHBondContact O-N 2.86Å; G8-L78 VanDerWaalsContact O-N 3.12Å
9	S	95	Very high	90.1	Very high	67 Å²	67	76.2 Å²	76.2	47%	0.469	52%	0.519	S	S	.	.			trans	-125.3	146.3	176.7	-60.9	0	0	0	0	110.9	M75	S9-M75 CarbonylContact C-O 3.53Å; S9-M75 WeakPolarHBondContact CA-O 3.03Å; S9-M75 WeakPolarHBondContact CB-O 3.45Å
10	L	95.4	Very high	90.4	Very high	41 Å²	41	76.4 Å²	76.4	22%	0.215	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	145.6	177.4	-176	60.1	0	0	0	109.3	V4 L12 M75 L78	V4-L10 HydrophobicContact CG2-CB 4.02Å; V4-L10 HydrophobicContact CG2-CD1 3.97Å; V4-L10 HydrophobicContact CG2-CD2 4.31Å; V4-L10 HydrophobicContact CG2-CG 4.32Å; L10-L12 HydrophobicContact CD2-CD2 3.69Å; L10-L12 HydrophobicContact CD2-CG 4.47Å; L10-L12 HydrophobicContact CG-CD2 4.04Å; L10-M75 PolarHBondContact N-O 2.92Å; L10-M75 PolarHBondContact O-N 3.37Å; L10-L78 HydrophobicContact CB-CD1 3.88Å
11	K	96.7	Very high	90.7	Very high	113 Å²	113	72.8 Å²	72.8	49%	0.491	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.3	168.2	-168.8	175.3	-179.6	177.3	0	109.4	L73	K11-L73 WeakPolarHBondContact CA-O 3.32Å
12	L	97.5	Very high	92.3	Very high	20 Å²	20	69.7 Å²	69.7	11%	0.105	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	148	170.5	-56.6	-178.9	0	0	0	109.7	L10 W28 F72 L73 M75 Y86	L10-L12 HydrophobicContact CD2-CD2 3.69Å; L10-L12 HydrophobicContact CD2-CG 4.47Å; L10-L12 HydrophobicContact CG-CD2 4.04Å; L12-W28 HydrophobicContact CB-CH2 3.87Å; L12-W28 HydrophobicContact CB-CZ2 4.15Å; L12-W28 HydrophobicContact CB-CZ3 4.48Å; L12-W28 HydrophobicContact CD1-CH2 4.48Å; L12-W28 HydrophobicContact CD1-CZ3 4.27Å; L12-F72 VanDerWaalsContact O-CA 3.24Å; L12-F72 WeakPolarHBondContact O-CA 3.34Å; L12-L73 HydrophobicContact CB-CB 4.28Å; L12-L73 HydrophobicContact CD1-CD2 4.49Å; L12-L73 PolarHBondContact N-O 3.01Å; L12-L73 PolarHBondContact O-N 3.14Å; L12-M75 HydrophobicContact CD1-SD 3.8Å; L12-M75 HydrophobicContact CG-SD 3.98Å; L12-Y86 HydrophobicContact CD1-CD1 4.1Å; L12-Y86 HydrophobicContact CD1-CD2 4.08Å; L12-Y86 HydrophobicContact CD1-CG 3.65Å
13	S	97.8	Very high	93.3	Very high	83 Å²	83	72.5 Å²	72.5	58%	0.58	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	142.8	172.3	60.5	0	0	0	0	110.2	L71	S13-L71 CarbonylContact C-O 3.5Å; S13-L71 WeakPolarHBondContact CA-O 3.39Å
14	C	97.3	Very high	94.1	Very high	18 Å²	18	68.4 Å²	68.4	12%	0.122	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	115.2	173.9	162.7	0	0	0	0	109.2	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.9Å; C14-W28 HydrophobicContact CB-CZ2 4.03Å; C14-T70 CarbonylContact O-C 3.56Å; C14-T70 VanDerWaalsContact O-CA 3.32Å; C14-T70 WeakPolarHBondContact O-CA 3.37Å; C14-L71 HydrophobicContact CB-CB 4.43Å; C14-L71 PolarHBondContact N-O 3.15Å; C14-L71 PolarHBondContact O-N 2.94Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.31Å; C14-C88 WeakPolarHBondContact SG-CB 3.3Å; C14-C88 CovalentContact SG-SG 2Å; C14-C88 PolarHBondContact SG-SG 2.79Å
15	A	97.1	Very high	94.6	Very high	81 Å²	81	66.6 Å²	66.6	67%	0.669	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.5	172.5	0	0	0	0	0	109.2
16	A	95.1	Very high	95.2	Very high	18 Å²	18	58.4 Å²	58.4	15%	0.149	39%	0.387	C	S	.	.			trans	-96.6	144.9	178.5	0	0	0	0	0	111.1	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.85Å; A16-F19 HydrophobicContact CB-CE2 4.48Å; A16-F19 HydrophobicContact CB-CZ 3.63Å; A16-F21 HydrophobicContact CB-CD2 3.57Å; A16-F21 HydrophobicContact CB-CE2 4.1Å; A16-F21 HydrophobicContact CB-CG 4.46Å; A16-N69 PolarHBondContact N-O 2.88Å
17	S	95.4	Very high	95.9	Very high	105 Å²	105	55.6 Å²	55.6	73%	0.734	37%	0.365	S	S	*	.			trans	-144.1	162.6	174.4	62.2	0	0	0	0	110	F19	S17-F19 WeakPolarHBondContact O-CD1 3.33Å
18	G	95.3	Very high	96.4	Very high	88 Å²	88	53.4 Å²	53.4	91%	0.907	34%	0.339	S	S	*	.	S	Bend	trans	83.7	4	178.9	0	0	0	0	0	115.4
19	F	93.6	Very high	96.6	Very high	57 Å²	57	53.3 Å²	53.3	25%	0.25	34%	0.335	C	S	.	.	S	Bend	trans	-157.6	162.9	172.6	63.5	-82.5	0	0	0	112.2	A16 S17 F21 Y24 M26 R90	A16-F19 HydrophobicContact CB-CE1 3.85Å; A16-F19 HydrophobicContact CB-CE2 4.48Å; A16-F19 HydrophobicContact CB-CZ 3.63Å; S17-F19 WeakPolarHBondContact O-CD1 3.33Å; F19-F21 HydrophobicContact CE2-CB 4.31Å; F19-F21 HydrophobicContact CE2-CD2 4.12Å; F19-F21 HydrophobicContact CZ-CD2 4.25Å; F19-F21 PolarHBondContact O-N 3Å; F19-Y24 AromaticContact CD2-CD2 3.79Å; F19-Y24 HydrophobicContact CD2-CD2 3.79Å; F19-Y24 HydrophobicContact CD2-CE2 4.13Å; F19-Y24 HydrophobicContact CE2-CD2 4.28Å; F19-M26 HydrophobicContact CE2-SD 4.17Å; F19-M26 HydrophobicContact CZ-CE 4.18Å; F19-M26 HydrophobicContact CZ-SD 4.22Å; F19-R90 HydrophobicContact CE2-CG 4.12Å; F19-R90 HydrophobicContact CZ-CB 4.3Å; F19-R90 HydrophobicContact CZ-CG 4.37Å
20	T	95.8	Very high	96.7	Very high	81 Å²	81	50.7 Å²	50.7	50%	0.497	31%	0.314	S	S	.	.			trans	-71.7	96.5	171.9	-50.1	0	0	0	0	109.8	S22 D23 Y24	T20-S22 WeakPolarHBondContact CG2-OG 3.1Å; T20-S22 PolarHBondContact O-N 3.12Å; T20-D23 VanDerWaalsContact CB-OD2 3.25Å; T20-D23 WeakPolarHBondContact CB-OD2 3.41Å; T20-D23 HydrophobicContact CG2-CB 4.49Å; T20-D23 VanDerWaalsContact CG2-CG 3.5Å; T20-D23 VanDerWaalsContact CG2-OD2 3.25Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.49Å; T20-D23 PolarHBondContact O-N 2.93Å; T20-D23 VanDerWaalsContact O-N 3.14Å; T20-Y24 WeakPolarHBondContact O-CD2 3.3Å
21	F	96.3	Very high	96.8	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-55.5	-38.4	-174.6	-179.9	-103.8	0	0	0	112.9	A16 F19 D23 Y24 M26 R64 N69 L71	A16-F21 HydrophobicContact CB-CD2 3.57Å; A16-F21 HydrophobicContact CB-CE2 4.1Å; A16-F21 HydrophobicContact CB-CG 4.46Å; F19-F21 HydrophobicContact CE2-CB 4.31Å; F19-F21 HydrophobicContact CE2-CD2 4.12Å; F19-F21 HydrophobicContact CZ-CD2 4.25Å; F19-F21 PolarHBondContact O-N 3Å; F21-D23 PolarHBondContact O-N 2.89Å; F21-D23 VanDerWaalsContact O-N 3.15Å; F21-Y24 PolarHBondContact O-N 2.81Å; F21-M26 HydrophobicContact CD2-CE 4.33Å; F21-M26 HydrophobicContact CD2-CG 4.28Å; F21-M26 HydrophobicContact CD2-SD 3.94Å; F21-M26 HydrophobicContact CE2-CE 3.9Å; F21-M26 HydrophobicContact CE2-CG 3.59Å; F21-M26 HydrophobicContact CE2-SD 3.73Å; F21-M26 HydrophobicContact CZ-CG 3.95Å; F21-R64 HydrophobicContact CE1-CB 4.12Å; F21-R64 HydrophobicContact CZ-CB 4.18Å; F21-R64 PolarHBondContact O-NH2 3.25Å; F21-N69 HydrophobicContact CB-CB 3.92Å; F21-N69 VanDerWaalsContact CB-OD1 3.31Å; F21-N69 WeakPolarHBondContact CB-OD1 3.35Å; F21-N69 HydrophobicContact CD1-CB 4.5Å; F21-N69 HydrophobicContact CG-CB 4.19Å; F21-L71 HydrophobicContact CE2-CB 4.39Å; F21-L71 HydrophobicContact CZ-CB 4.17Å
22	S	96.3	Very high	96.7	Very high	46 Å²	46	48.1 Å²	48.1	32%	0.322	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-60.8	-23.4	-178.4	53.5	0	0	0	0	114.2	T20 Y24 S45	T20-S22 WeakPolarHBondContact CG2-OG 3.1Å; T20-S22 PolarHBondContact O-N 3.12Å; S22-Y24 VanDerWaalsContact C-N 3.33Å; S22-Y24 PolarHBondContact O-N 2.79Å; S22-S45 WeakPolarHBondContact O-CB 3.37Å
23	D	96.6	Very high	96.3	Very high	105 Å²	105	53.5 Å²	53.5	56%	0.561	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-84.3	-12.6	-171.4	-60.1	-8.3	0	0	0	112.7	T20 F21	T20-D23 VanDerWaalsContact CB-OD2 3.25Å; T20-D23 WeakPolarHBondContact CB-OD2 3.41Å; T20-D23 HydrophobicContact CG2-CB 4.49Å; T20-D23 VanDerWaalsContact CG2-CG 3.5Å; T20-D23 VanDerWaalsContact CG2-OD2 3.25Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.49Å; T20-D23 PolarHBondContact O-N 2.93Å; T20-D23 VanDerWaalsContact O-N 3.14Å; F21-D23 PolarHBondContact O-N 2.89Å; F21-D23 VanDerWaalsContact O-N 3.15Å
24	Y	96.9	Very high	95.9	Very high	95 Å²	95	58.6 Å²	58.6	37%	0.373	36%	0.357	S	S	.	.	S	Bend	trans	-118.2	147	-173.4	-60	-96.4	0	0	0	112.1	F19 T20 F21 S22 R64 R90	F19-Y24 AromaticContact CD2-CD2 3.79Å; F19-Y24 HydrophobicContact CD2-CD2 3.79Å; F19-Y24 HydrophobicContact CD2-CE2 4.13Å; F19-Y24 HydrophobicContact CE2-CD2 4.28Å; T20-Y24 WeakPolarHBondContact O-CD2 3.3Å; F21-Y24 PolarHBondContact O-N 2.81Å; S22-Y24 VanDerWaalsContact C-N 3.33Å; S22-Y24 PolarHBondContact O-N 2.79Å; Y24-R64 PolarHBondContact O-NH2 2.8Å; Y24-R90 VanDerWaalsContact CB-CG 3.45Å; Y24-R90 HydrophobicContact CD1-CG 3.75Å; Y24-R90 HydrophobicContact CD2-CG 4.43Å; Y24-R90 HydrophobicContact CG-CG 3.64Å; Y24-R90 PolarHBondContact OH-NH1 3.07Å
25	G	97.8	Very high	95.6	Very high	15 Å²	15	63.1 Å²	63.1	16%	0.155	37%	0.374	C	S	.	.			trans	-69.2	155.9	158.8	0	0	0	0	0	109.9	I43	G25-I43 CarbonylContact C-O 3.41Å; G25-I43 VanDerWaalsContact CA-O 3.29Å; G25-I43 WeakPolarHBondContact CA-O 3.24Å
26	M	98.3	Very high	95.4	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.02	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.7	-176.1	-59	-62.2	-54.7	0	0	109.9	F19 F21 Y42 I43 L71 R90	F19-M26 HydrophobicContact CE2-SD 4.17Å; F19-M26 HydrophobicContact CZ-CE 4.18Å; F19-M26 HydrophobicContact CZ-SD 4.22Å; F21-M26 HydrophobicContact CD2-CE 4.33Å; F21-M26 HydrophobicContact CD2-CG 4.28Å; F21-M26 HydrophobicContact CD2-SD 3.94Å; F21-M26 HydrophobicContact CE2-CE 3.9Å; F21-M26 HydrophobicContact CE2-CG 3.59Å; F21-M26 HydrophobicContact CE2-SD 3.73Å; F21-M26 HydrophobicContact CZ-CG 3.95Å; M26-Y42 WeakPolarHBondContact O-CA 3.47Å; M26-Y42 WeakPolarHBondContact O-CD2 3.39Å; M26-I43 HydrophobicContact CB-CG2 4.22Å; M26-I43 PolarHBondContact N-O 3.02Å; M26-I43 PolarHBondContact O-N 3.4Å; M26-L71 HydrophobicContact CB-CD1 3.74Å; M26-L71 HydrophobicContact CB-CD2 3.84Å; M26-L71 HydrophobicContact CB-CG 4.37Å; M26-L71 HydrophobicContact CG-CD1 4.35Å; M26-R90 HydrophobicContact CE-CB 4.11Å; M26-R90 HydrophobicContact SD-CB 4.05Å; M26-R90 HydrophobicContact SD-CG 4.02Å
27	H	98.4	Very high	95.4	Very high	53 Å²	53	66.5 Å²	66.5	25%	0.245	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	152.2	-179.3	-54.2	-112.1	0	0	0	110.8	W39 A41 Y42 C88 V89	H27-W39 AromaticContact ND1-CD1 3.78Å; H27-W39 AromaticContact ND1-NE1 3.25Å; H27-W39 PolarHBondContact ND1-NE1 3.15Å; H27-A41 CarbonylContact C-O 3.56Å; H27-A41 VanDerWaalsContact CA-O 3.24Å; H27-A41 WeakPolarHBondContact CA-O 3.45Å; H27-Y42 AromaticContact CD2-CD2 3.76Å; H27-Y42 AromaticContact CE1-CD2 3.23Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.1Å; H27-Y42 AromaticContact CE1-CE2 3.84Å; H27-Y42 AromaticContact CE1-CG 3.96Å; H27-Y42 AromaticContact CG-CD2 3.89Å; H27-Y42 AromaticContact ND1-CD2 3.6Å; H27-Y42 AromaticContact NE2-CD2 3.31Å; H27-Y42 VanDerWaalsContact NE2-CD2 3.31Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.39Å; H27-Y42 AromaticContact NE2-CE2 3.58Å; H27-C88 WeakPolarHBondContact O-CA 3.46Å; H27-V89 HydrophobicContact CB-CG2 3.66Å; H27-V89 PolarHBondContact N-O 2.74Å; H27-V89 PolarHBondContact O-N 3.42Å
28	W	98.5	Very high	95.5	Very high	8 Å²	8	64.1 Å²	64.1	3%	0.03	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.4	156.6	-79.1	98.4	0	0	0	109	L12 C14 V40 A41 L71 F72 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.87Å; L12-W28 HydrophobicContact CB-CZ2 4.15Å; L12-W28 HydrophobicContact CB-CZ3 4.48Å; L12-W28 HydrophobicContact CD1-CH2 4.48Å; L12-W28 HydrophobicContact CD1-CZ3 4.27Å; C14-W28 HydrophobicContact CB-CH2 3.9Å; C14-W28 HydrophobicContact CB-CZ2 4.03Å; W28-V40 HydrophobicContact CB-CB 4.13Å; W28-V40 HydrophobicContact CB-CG1 4.49Å; W28-V40 WeakPolarHBondContact O-CB 3.44Å; W28-V40 PolarHBondContact O-N 3.03Å; W28-A41 PolarHBondContact N-O 2.8Å; W28-A41 PolarHBondContact O-N 2.89Å; W28-L71 HydrophobicContact CD2-CD2 4.41Å; W28-L71 HydrophobicContact CG-CD2 4.33Å; W28-L71 HydrophobicContact CZ2-CD2 4.41Å; W28-L71 VanDerWaalsContact NE1-CD2 3.29Å; W28-F72 PolarHBondContact NE1-O 2.88Å; W28-L73 HydrophobicContact CB-CD2 4.29Å; W28-L73 HydrophobicContact CD2-CB 4.11Å; W28-L73 HydrophobicContact CD2-CD2 4.21Å; W28-L73 HydrophobicContact CG-CB 4.21Å; W28-L73 HydrophobicContact CG-CD1 4.35Å; W28-L73 HydrophobicContact CG-CD2 4.03Å; W28-L73 HydrophobicContact CG-CG 4.44Å; W28-L73 HydrophobicContact CZ2-CB 4.2Å; W28-Y87 WeakPolarHBondContact CA-O 3.31Å; W28-Y87 VanDerWaalsContact CE3-C 3.5Å; W28-C88 HydrophobicContact CE3-CB 4.48Å; W28-C88 HydrophobicContact CH2-CB 4.34Å; W28-C88 HydrophobicContact CZ2-CB 4.45Å; W28-C88 HydrophobicContact CZ3-CB 4.35Å
29	V	98.2	Very high	95.6	Very high	21 Å²	21	64.8 Å²	64.8	13%	0.127	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	155.2	169.6	-58.5	0	0	0	0	108.8	L37 E38 Y86 Y87 V89	V29-L37 HydrophobicContact CG2-CD2 4.09Å; V29-E38 CarbonylContact C-O 3.51Å; V29-E38 VanDerWaalsContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CA-O 3.31Å; V29-Y86 WeakPolarHBondContact O-CA 3.49Å; V29-Y87 HydrophobicContact CG2-CD2 4.3Å; V29-Y87 PolarHBondContact N-O 3.05Å; V29-Y87 PolarHBondContact O-N 3.02Å; V29-V89 HydrophobicContact CG1-CG2 4.01Å; V29-V89 HydrophobicContact CG2-CG1 4.08Å; V29-V89 HydrophobicContact CG2-CG2 4.48Å
30	R	97.2	Very high	95.8	Very high	12 Å²	12	62.1 Å²	62.1	5%	0.045	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.5	176.7	73.9	-179.1	-174.7	-176	3.8	112.1	E38 V40 D82 A84 M85 Y86	R30-E38 HydrophobicContact CG-CB 4.04Å; R30-E38 IonicContact CZ-OE2 2.99Å; R30-E38 PolarHBondContact N-O 2.88Å; R30-E38 IonicContact NE-OE2 2.98Å; R30-E38 PolarHBondContact NE-OE2 3Å; R30-E38 IonicContact NH2-OE2 3.88Å; R30-E38 PolarHBondContact NH2-OE2 2.98Å; R30-E38 VanDerWaalsContact NH2-OE2 3.14Å; R30-E38 PolarHBondContact O-N 3.25Å; R30-V40 HydrophobicContact CB-CG2 3.88Å; R30-V40 HydrophobicContact CG-CG2 3.65Å; R30-D82 IonicContact NH1-OD1 3.5Å; R30-D82 PolarHBondContact NH1-OD1 2.91Å; R30-A84 HydrophobicContact CB-CB 3.88Å; R30-A84 HydrophobicContact CG-CB 4.16Å; R30-M85 CarbonylContact C-O 3.48Å; R30-M85 WeakPolarHBondContact CA-O 3.43Å; R30-M85 WeakPolarHBondContact CB-O 3.31Å; R30-Y86 HydrophobicContact CB-CD1 3.77Å; R30-Y86 HydrophobicContact CB-CD2 4.44Å; R30-Y86 HydrophobicContact CB-CE1 3.71Å; R30-Y86 HydrophobicContact CB-CE2 4.38Å; R30-Y86 HydrophobicContact CB-CG 4.14Å; R30-Y86 WeakPolarHBondContact CD-OH 3.45Å; R30-Y86 HydrophobicContact CG-CE1 4.35Å; R30-Y86 PolarHBondContact NH1-OH 3.38Å
31	Q	96.6	Very high	95.9	Very high	81 Å²	81	58.2 Å²	58.2	38%	0.379	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	115.1	175.6	-167.1	176.4	16.8	0	0	109.7	K35 L37 A84 M85 Y87	Q31-K35 WeakPolarHBondContact CG-O 3.34Å; Q31-L37 HydrophobicContact CB-CD2 4.08Å; Q31-A84 WeakPolarHBondContact O-CA 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.34Å; Q31-M85 PolarHBondContact N-O 2.99Å; Q31-M85 PolarHBondContact O-N 3.13Å; Q31-Y87 HydrophobicContact CB-CE2 4.01Å
32	A	94.4	Very high	96.1	Very high	18 Å²	18	60.9 Å²	60.9	15%	0.149	32%	0.317	C	S	.	.			trans	-83.2	155.4	169.6	0	0	0	0	0	109.8	E34 K35 A84	A32-E34 PolarHBondContact O-N 2.69Å; A32-K35 HydrophobicContact CB-CB 4.12Å; A32-K35 HydrophobicContact CB-CD 4.18Å; A32-K35 HydrophobicContact CB-CG 4.24Å; A32-K35 PolarHBondContact O-N 3.05Å; A32-A84 HydrophobicContact CB-CB 4.38Å
33	P	89.5	Confident	96.2	Very high	133 Å²	133	58.8 Å²	58.8	86%	0.864	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-30.1	-173.7	-29.2	35.9	0	0	0	115.8
34	E	89.9	Confident	96.3	Very high	191 Å²	191	54.3 Å²	54.3	89%	0.893	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	11.2	-177.5	-60.2	-177.8	172.3	0	0	113.1	A32	A32-E34 PolarHBondContact O-N 2.69Å
35	K	90.1	Very high	96.3	Very high	112 Å²	112	52 Å²	52	49%	0.487	28%	0.278	S	S	.	.	S	Bend	trans	-125.6	156.6	-175.3	-65.4	-173.1	166.7	-168.7	0	112.1	Q31 A32 E38	Q31-K35 WeakPolarHBondContact CG-O 3.34Å; A32-K35 HydrophobicContact CB-CB 4.12Å; A32-K35 HydrophobicContact CB-CD 4.18Å; A32-K35 HydrophobicContact CB-CG 4.24Å; A32-K35 PolarHBondContact O-N 3.05Å; K35-E38 WeakPolarHBondContact CD-OE1 3.23Å; K35-E38 IonicContact NZ-OE1 3.83Å; K35-E38 PolarHBondContact NZ-OE1 3.01Å
36	G	92.8	Very high	96.1	Very high	51 Å²	51	54.1 Å²	54.1	53%	0.526	30%	0.299	S	S	.	.			trans	-68.4	-177.2	166.6	0	0	0	0	0	112.5	E38	G36-E38 PolarHBondContact O-N 3.2Å
37	L	95.3	Very high	96.1	Very high	119 Å²	119	56.3 Å²	56.3	62%	0.623	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	123.8	172.3	-73	165.5	0	0	0	110.2	V29 Q31 Y87	V29-L37 HydrophobicContact CG2-CD2 4.09Å; Q31-L37 HydrophobicContact CB-CD2 4.08Å; L37-Y87 HydrophobicContact CD2-CD2 4.27Å; L37-Y87 HydrophobicContact CD2-CE2 4.45Å
38	E	96.9	Very high	96	Very high	56 Å²	56	58.9 Å²	58.9	26%	0.262	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.2	173.9	-64.7	-179.1	154.9	0	0	108.9	V29 R30 K35 G36	V29-E38 CarbonylContact C-O 3.51Å; V29-E38 VanDerWaalsContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CA-O 3.31Å; R30-E38 HydrophobicContact CG-CB 4.04Å; R30-E38 IonicContact CZ-OE2 2.99Å; R30-E38 PolarHBondContact N-O 2.88Å; R30-E38 IonicContact NE-OE2 2.98Å; R30-E38 PolarHBondContact NE-OE2 3Å; R30-E38 IonicContact NH2-OE2 3.88Å; R30-E38 PolarHBondContact NH2-OE2 2.98Å; R30-E38 VanDerWaalsContact NH2-OE2 3.14Å; R30-E38 PolarHBondContact O-N 3.25Å; K35-E38 WeakPolarHBondContact CD-OE1 3.23Å; K35-E38 IonicContact NZ-OE1 3.83Å; K35-E38 PolarHBondContact NZ-OE1 3.01Å; G36-E38 PolarHBondContact O-N 3.2Å
39	W	98	Very high	96	Very high	101 Å²	101	60.9 Å²	60.9	38%	0.383	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	139.3	172.5	176.9	79.6	0	0	0	110.9	H27 A41 Y52 A53	H27-W39 AromaticContact ND1-CD1 3.78Å; H27-W39 AromaticContact ND1-NE1 3.25Å; H27-W39 PolarHBondContact ND1-NE1 3.15Å; W39-A41 VanDerWaalsContact CZ2-C 3.4Å; W39-A41 PolarHBondContact NE1-O 3.27Å; W39-A41 VanDerWaalsContact NE1-O 3.15Å; W39-Y52 VanDerWaalsContact CZ3-C 3.48Å; W39-A53 HydrophobicContact CE3-CB 3.92Å; W39-A53 HydrophobicContact CZ3-CB 3.93Å; W39-A53 WeakPolarHBondContact O-CB 3.47Å
40	V	98.2	Very high	96	Very high	1 Å²	1	63 Å²	63	1%	0.006	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-53.1	-173.5	178.6	0	0	0	0	111.9	W28 R30 A53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.13Å; W28-V40 HydrophobicContact CB-CG1 4.49Å; W28-V40 WeakPolarHBondContact O-CB 3.44Å; W28-V40 PolarHBondContact O-N 3.03Å; R30-V40 HydrophobicContact CB-CG2 3.88Å; R30-V40 HydrophobicContact CG-CG2 3.65Å; V40-A53 PolarHBondContact O-N 2.68Å; V40-V56 HydrophobicContact CG1-CG1 4.41Å; V40-V56 HydrophobicContact CG1-CG2 4.02Å; V40-V56 WeakPolarHBondContact O-CG2 3.45Å; V40-F60 HydrophobicContact CG1-CD2 3.8Å; V40-F60 HydrophobicContact CG1-CE2 4.22Å; V40-L73 HydrophobicContact CG1-CD2 4.21Å; V40-Y86 HydrophobicContact CG2-CE1 4.21Å
41	A	98.6	Very high	96.1	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	160	-176.2	0	0	0	0	0	111.8	H27 W28 W39 Y51 Y52 I62 L73	H27-A41 CarbonylContact C-O 3.56Å; H27-A41 VanDerWaalsContact CA-O 3.24Å; H27-A41 WeakPolarHBondContact CA-O 3.45Å; W28-A41 PolarHBondContact N-O 2.8Å; W28-A41 PolarHBondContact O-N 2.89Å; W39-A41 VanDerWaalsContact CZ2-C 3.4Å; W39-A41 PolarHBondContact NE1-O 3.27Å; W39-A41 VanDerWaalsContact NE1-O 3.15Å; A41-Y51 CarbonylContact C-O 3.5Å; A41-Y51 VanDerWaalsContact CA-O 3.24Å; A41-Y51 WeakPolarHBondContact CA-O 3.24Å; A41-Y52 HydrophobicContact CB-CD1 3.76Å; A41-Y52 HydrophobicContact CB-CE1 4.06Å; A41-I62 HydrophobicContact CB-CB 4.01Å; A41-I62 HydrophobicContact CB-CD1 4.03Å; A41-I62 HydrophobicContact CB-CG2 4.13Å; A41-L73 HydrophobicContact CB-CD1 4.47Å
42	Y	98.6	Very high	96.1	Very high	56 Å²	56	68 Å²	68	22%	0.22	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	142.7	175.4	167.7	-103.6	0	0	0	110.4	M26 H27 S44 T49 I50 Y51	M26-Y42 WeakPolarHBondContact O-CA 3.47Å; M26-Y42 WeakPolarHBondContact O-CD2 3.39Å; H27-Y42 AromaticContact CD2-CD2 3.76Å; H27-Y42 AromaticContact CE1-CD2 3.23Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.1Å; H27-Y42 AromaticContact CE1-CE2 3.84Å; H27-Y42 AromaticContact CE1-CG 3.96Å; H27-Y42 AromaticContact CG-CD2 3.89Å; H27-Y42 AromaticContact ND1-CD2 3.6Å; H27-Y42 AromaticContact NE2-CD2 3.31Å; H27-Y42 VanDerWaalsContact NE2-CD2 3.31Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.39Å; H27-Y42 AromaticContact NE2-CE2 3.58Å; Y42-S44 WeakPolarHBondContact OH-CA 3.24Å; Y42-T49 HydrophobicContact CE1-CG2 4.37Å; Y42-I50 VanDerWaalsContact O-CA 3.32Å; Y42-I50 WeakPolarHBondContact O-CA 3.26Å; Y42-I50 WeakPolarHBondContact O-CG2 3.41Å; Y42-Y51 AromaticContact CD1-CD2 3.66Å; Y42-Y51 HydrophobicContact CD1-CD2 3.66Å; Y42-Y51 HydrophobicContact CD1-CE2 4.28Å; Y42-Y51 HydrophobicContact CE1-CD2 4.33Å; Y42-Y51 PolarHBondContact N-O 3.36Å; Y42-Y51 PolarHBondContact O-N 3.01Å
43	I	98.7	Very high	96.3	Very high	3 Å²	3	67.8 Å²	67.8	2%	0.015	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	125.6	168.9	-172.1	161.9	0	0	0	109.5	G25 M26 I50 I62 R64 L71	G25-I43 CarbonylContact C-O 3.41Å; G25-I43 VanDerWaalsContact CA-O 3.29Å; G25-I43 WeakPolarHBondContact CA-O 3.24Å; M26-I43 HydrophobicContact CB-CG2 4.22Å; M26-I43 PolarHBondContact N-O 3.02Å; M26-I43 PolarHBondContact O-N 3.4Å; I43-I50 HydrophobicContact CD1-CD1 4.11Å; I43-I50 HydrophobicContact CD1-CG1 4.28Å; I43-I50 HydrophobicContact CG1-CD1 4.41Å; I43-I50 HydrophobicContact CG1-CG1 4.03Å; I43-I62 HydrophobicContact CB-CD1 3.94Å; I43-I62 HydrophobicContact CB-CG1 4.18Å; I43-I62 HydrophobicContact CB-CG2 4.05Å; I43-I62 HydrophobicContact CG2-CD1 3.58Å; I43-I62 HydrophobicContact CG2-CG1 3.88Å; I43-R64 HydrophobicContact CD1-CB 4.44Å; I43-R64 HydrophobicContact CD1-CG 4.07Å; I43-L71 HydrophobicContact CG2-CD1 3.6Å
44	S	98.4	Very high	96.7	Very high	10 Å²	10	68 Å²	68	7%	0.07	37%	0.371	C	S	.	.			trans	-64.6	164	173.6	57.2	0	0	0	0	112.5	Y42 G46 S47 S48 T49	Y42-S44 WeakPolarHBondContact OH-CA 3.24Å; S44-G46 VanDerWaalsContact C-N 3.32Å; S44-G46 PolarHBondContact O-N 2.96Å; S44-S47 PolarHBondContact O-N 2.81Å; S44-S47 PolarHBondContact OG-N 3.13Å; S44-S48 PolarHBondContact OG-N 3.25Å; S44-T49 PolarHBondContact N-O 2.91Å; S44-T49 PolarHBondContact OG-N 2.87Å; S44-T49 PolarHBondContact OG-O 3.33Å
45	S	96.8	Very high	96.9	Very high	48 Å²	48	63.2 Å²	63.2	34%	0.336	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-43.8	-179.8	46	0	0	0	0	113.2	S22 S47 R64	S22-S45 WeakPolarHBondContact O-CB 3.37Å; S45-S47 PolarHBondContact O-N 2.9Å; S45-R64 PolarHBondContact O-NH1 3.49Å
46	G	95.3	Very high	97.2	Very high	58 Å²	58	57.9 Å²	57.9	60%	0.598	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-0.6	176.1	0	0	0	0	0	114.8	S44 S48	S44-G46 VanDerWaalsContact C-N 3.32Å; S44-G46 PolarHBondContact O-N 2.96Å; G46-S48 PolarHBondContact O-N 2.87Å; G46-S48 VanDerWaalsContact O-N 3.08Å
47	S	96.8	Very high	97.4	Very high	51 Å²	51	62.2 Å²	62.2	36%	0.357	34%	0.336	S	S	.	.	S	Bend	trans	56.9	14.2	-169.8	-50	0	0	0	0	114.7	S44 S45 R64	S44-S47 PolarHBondContact O-N 2.81Å; S44-S47 PolarHBondContact OG-N 3.13Å; S45-S47 PolarHBondContact O-N 2.9Å; S47-R64 WeakPolarHBondContact OG-CD 3.02Å; S47-R64 WeakPolarHBondContact OG-CG 2.97Å
48	S	96.8	Very high	97.5	Very high	106 Å²	106	60.2 Å²	60.2	74%	0.741	35%	0.345	S	S	*	.			trans	-77.2	-30.2	-179.5	57.3	0	0	0	0	112.5	S44 G46	S44-S48 PolarHBondContact OG-N 3.25Å; G46-S48 PolarHBondContact O-N 2.87Å; G46-S48 VanDerWaalsContact O-N 3.08Å
49	T	98.2	Very high	97.5	Very high	51 Å²	51	58.7 Å²	58.7	31%	0.313	34%	0.336	S	S	.	.			trans	-115.7	128.8	176.3	-55	0	0	0	0	109.9	Y42 S44 Y51	Y42-T49 HydrophobicContact CE1-CG2 4.37Å; S44-T49 PolarHBondContact N-O 2.91Å; S44-T49 PolarHBondContact OG-N 2.87Å; S44-T49 PolarHBondContact OG-O 3.33Å; T49-Y51 HydrophobicContact CG2-CD2 4.01Å; T49-Y51 HydrophobicContact CG2-CE1 4.3Å; T49-Y51 HydrophobicContact CG2-CE2 3.28Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.45Å
50	I	98.6	Very high	97.5	Very high	65 Å²	65	54 Å²	54	33%	0.333	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	131.8	177.4	-58.6	179.8	0	0	0	108.9	Y42 I43 Y52 I62	Y42-I50 VanDerWaalsContact O-CA 3.32Å; Y42-I50 WeakPolarHBondContact O-CA 3.26Å; Y42-I50 WeakPolarHBondContact O-CG2 3.41Å; I43-I50 HydrophobicContact CD1-CD1 4.11Å; I43-I50 HydrophobicContact CD1-CG1 4.28Å; I43-I50 HydrophobicContact CG1-CD1 4.41Å; I43-I50 HydrophobicContact CG1-CG1 4.03Å; I50-Y52 HydrophobicContact CG2-CD2 4.18Å; I50-Y52 HydrophobicContact CG2-CE1 4.3Å; I50-Y52 HydrophobicContact CG2-CE2 3.4Å; I50-Y52 VanDerWaalsContact CG2-CE2 3.4Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.48Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.32Å; I50-I62 HydrophobicContact CG2-CG2 3.51Å
51	Y	98.5	Very high	97.5	Very high	141 Å²	141	57.6 Å²	57.6	55%	0.553	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	150.5	174.1	-59.3	-65.1	0	0	0	111	A41 Y42 T49	A41-Y51 CarbonylContact C-O 3.5Å; A41-Y51 VanDerWaalsContact CA-O 3.24Å; A41-Y51 WeakPolarHBondContact CA-O 3.24Å; Y42-Y51 AromaticContact CD1-CD2 3.66Å; Y42-Y51 HydrophobicContact CD1-CD2 3.66Å; Y42-Y51 HydrophobicContact CD1-CE2 4.28Å; Y42-Y51 HydrophobicContact CE1-CD2 4.33Å; Y42-Y51 PolarHBondContact N-O 3.36Å; Y42-Y51 PolarHBondContact O-N 3.01Å; T49-Y51 HydrophobicContact CG2-CD2 4.01Å; T49-Y51 HydrophobicContact CG2-CE1 4.3Å; T49-Y51 HydrophobicContact CG2-CE2 3.28Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.45Å
52	Y	98.6	Very high	97.5	Very high	56 Å²	56	57.8 Å²	57.8	22%	0.22	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.4	177.6	-62.1	-79.1	0	0	0	109.6	W39 A41 I50 F60 T61 I62	W39-Y52 VanDerWaalsContact CZ3-C 3.48Å; A41-Y52 HydrophobicContact CB-CD1 3.76Å; A41-Y52 HydrophobicContact CB-CE1 4.06Å; I50-Y52 HydrophobicContact CG2-CD2 4.18Å; I50-Y52 HydrophobicContact CG2-CE1 4.3Å; I50-Y52 HydrophobicContact CG2-CE2 3.4Å; I50-Y52 VanDerWaalsContact CG2-CE2 3.4Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.48Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.32Å; Y52-F60 WeakPolarHBondContact CE1-O 3.48Å; Y52-T61 WeakPolarHBondContact OH-CA 3.18Å; Y52-I62 HydrophobicContact CE1-CB 4.27Å; Y52-I62 HydrophobicContact CE1-CG2 3.82Å; Y52-I62 PolarHBondContact OH-N 2.87Å; Y52-I62 VanDerWaalsContact OH-N 3.14Å
53	A	97.9	Very high	97.5	Very high	15 Å²	15	57.2 Å²	57.2	12%	0.124	35%	0.346	C	S	.	.			trans	-65.3	144	167.3	0	0	0	0	0	110	W39 V40 T55 V56 K57	W39-A53 HydrophobicContact CE3-CB 3.92Å; W39-A53 HydrophobicContact CZ3-CB 3.93Å; W39-A53 WeakPolarHBondContact O-CB 3.47Å; V40-A53 PolarHBondContact O-N 2.68Å; A53-T55 PolarHBondContact O-N 3.01Å; A53-T55 VanDerWaalsContact O-N 3.12Å; A53-V56 HydrophobicContact CB-CG2 4.21Å; A53-V56 WeakPolarHBondContact O-CG2 3.25Å; A53-V56 PolarHBondContact O-N 2.93Å; A53-K57 PolarHBondContact O-N 2.94Å
54	D	97.3	Very high	97.5	Very high	138 Å²	138	58.4 Å²	58.4	74%	0.738	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.1	-176.2	-68.5	-36.8	0	0	0	112.7	V56	D54-V56 PolarHBondContact O-N 2.99Å
55	T	94.9	Very high	97.4	Very high	89 Å²	89	59.8 Å²	59.8	55%	0.546	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.1	178.3	55.9	0	0	0	0	114	A53 R59	A53-T55 PolarHBondContact O-N 3.01Å; A53-T55 VanDerWaalsContact O-N 3.12Å; T55-R59 PolarHBondContact O-NH2 2.87Å
56	V	96.8	Very high	97.4	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.006	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-7	-176.2	-56.8	0	0	0	0	113.4	V40 A53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG1 4.41Å; V40-V56 HydrophobicContact CG1-CG2 4.02Å; V40-V56 WeakPolarHBondContact O-CG2 3.45Å; A53-V56 HydrophobicContact CB-CG2 4.21Å; A53-V56 WeakPolarHBondContact O-CG2 3.25Å; A53-V56 PolarHBondContact O-N 2.93Å; D54-V56 PolarHBondContact O-N 2.99Å; V56-G58 PolarHBondContact O-N 3.32Å; V56-R59 PolarHBondContact O-N 3.22Å; V56-F60 HydrophobicContact CB-CB 4.1Å; V56-F60 HydrophobicContact CB-CD1 4.29Å; V56-F60 HydrophobicContact CB-CD2 3.57Å; V56-F60 HydrophobicContact CB-CE2 3.94Å; V56-F60 HydrophobicContact CB-CG 3.74Å; V56-F60 HydrophobicContact CB-CZ 4.41Å; V56-F60 HydrophobicContact CG1-CD2 3.62Å; V56-F60 HydrophobicContact CG1-CE2 3.46Å; V56-F60 VanDerWaalsContact CG1-CE2 3.46Å; V56-F60 HydrophobicContact CG1-CG 4.23Å; V56-F60 HydrophobicContact CG1-CZ 3.93Å; V56-F60 HydrophobicContact CG2-CB 4.3Å; V56-F60 HydrophobicContact CG2-CD2 4.06Å; V56-F60 HydrophobicContact CG2-CG 4.36Å; V56-F60 PolarHBondContact O-N 3.12Å
57	K	96.3	Very high	97.5	Very high	141 Å²	141	62.4 Å²	62.4	61%	0.613	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	130.3	-179.4	-166.1	173.8	-174	176.1	0	110.6	A53 R59	A53-K57 PolarHBondContact O-N 2.94Å; K57-R59 VanDerWaalsContact C-N 3.26Å; K57-R59 PolarHBondContact O-N 3.32Å
58	G	96.4	Very high	97.5	Very high	78 Å²	78	66.7 Å²	66.7	80%	0.804	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-6	-176.5	0	0	0	0	0	115.3	V56	V56-G58 PolarHBondContact O-N 3.32Å
59	R	97.4	Very high	97.5	Very high	23 Å²	23	64.7 Å²	64.7	9%	0.087	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-36	176.1	-59	-170.7	-58.4	114.2	-0.6	112.3	T55 V56 K57 T76 S77 D82	T55-R59 PolarHBondContact O-NH2 2.87Å; V56-R59 PolarHBondContact O-N 3.22Å; K57-R59 VanDerWaalsContact C-N 3.26Å; K57-R59 PolarHBondContact O-N 3.32Å; R59-T76 PolarHBondContact O-N 3.07Å; R59-T76 PolarHBondContact O-OG1 3.44Å; R59-S77 PolarHBondContact NH1-O 2.8Å; R59-D82 IonicContact CZ-OD1 3.42Å; R59-D82 IonicContact CZ-OD2 3.14Å; R59-D82 IonicContact NH1-OD1 2.68Å; R59-D82 IonicContact NH1-OD2 3Å; R59-D82 PolarHBondContact NH1-OD2 2.93Å; R59-D82 IonicContact NH2-OD1 3.27Å; R59-D82 PolarHBondContact NH2-OD1 2.86Å; R59-D82 IonicContact NH2-OD2 2.94Å; R59-D82 PolarHBondContact NH2-OD2 2Å
60	F	97.9	Very high	97.5	Very high	3 Å²	3	63.2 Å²	63.2	1%	0.013	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	144.9	-178.3	-65.3	9.3	0	0	0	110.4	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD2 3.8Å; V40-F60 HydrophobicContact CG1-CE2 4.22Å; Y52-F60 WeakPolarHBondContact CE1-O 3.48Å; V56-F60 HydrophobicContact CB-CB 4.1Å; V56-F60 HydrophobicContact CB-CD1 4.29Å; V56-F60 HydrophobicContact CB-CD2 3.57Å; V56-F60 HydrophobicContact CB-CE2 3.94Å; V56-F60 HydrophobicContact CB-CG 3.74Å; V56-F60 HydrophobicContact CB-CZ 4.41Å; V56-F60 HydrophobicContact CG1-CD2 3.62Å; V56-F60 HydrophobicContact CG1-CE2 3.46Å; V56-F60 VanDerWaalsContact CG1-CE2 3.46Å; V56-F60 HydrophobicContact CG1-CG 4.23Å; V56-F60 HydrophobicContact CG1-CZ 3.93Å; V56-F60 HydrophobicContact CG2-CB 4.3Å; V56-F60 HydrophobicContact CG2-CD2 4.06Å; V56-F60 HydrophobicContact CG2-CG 4.36Å; V56-F60 PolarHBondContact O-N 3.12Å; F60-L73 HydrophobicContact CB-CD1 4.2Å; F60-L73 HydrophobicContact CD2-CD2 4.13Å; F60-L73 HydrophobicContact CD2-CG 4.49Å; F60-Q74 CarbonylContact C-O 3.57Å; F60-Q74 VanDerWaalsContact CA-O 3.25Å; F60-Q74 WeakPolarHBondContact CA-O 3.46Å; F60-M75 HydrophobicContact CD1-CB 3.79Å; F60-M75 HydrophobicContact CD1-CG 4.07Å; F60-M75 HydrophobicContact CD2-CE 4.27Å; F60-M75 HydrophobicContact CD2-CG 4.1Å; F60-M75 HydrophobicContact CE1-CB 3.75Å; F60-M75 HydrophobicContact CE1-CE 4.07Å; F60-M75 HydrophobicContact CE1-CG 4.11Å; F60-M75 HydrophobicContact CE2-CE 3.41Å; F60-M75 VanDerWaalsContact CE2-CE 3.41Å; F60-M75 HydrophobicContact CE2-CG 4.12Å; F60-M75 HydrophobicContact CG-CB 4.32Å; F60-M75 HydrophobicContact CG-CG 4.11Å; F60-M75 HydrophobicContact CZ-CB 4.21Å; F60-M75 HydrophobicContact CZ-CE 3.3Å; F60-M75 HydrophobicContact CZ-CG 4.15Å; F60-L78 HydrophobicContact CE1-CD2 4.12Å; F60-L78 HydrophobicContact CZ-CD2 4.17Å; F60-D82 HydrophobicContact CZ-CB 4.11Å; F60-Y86 HydrophobicContact CE2-CE1 4.3Å
61	T	98.5	Very high	97.5	Very high	76 Å²	76	60.1 Å²	60.1	47%	0.466	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	116.4	177.5	-54.2	0	0	0	0	109.2	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.18Å; T61-Q74 PolarHBondContact N-O 2.84Å; T61-Q74 PolarHBondContact O-N 2.7Å
62	I	98.6	Very high	97.5	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	139.8	173.2	-170	172.8	0	0	0	109	A41 I43 I50 Y52 L71 F72 L73	A41-I62 HydrophobicContact CB-CB 4.01Å; A41-I62 HydrophobicContact CB-CD1 4.03Å; A41-I62 HydrophobicContact CB-CG2 4.13Å; I43-I62 HydrophobicContact CB-CD1 3.94Å; I43-I62 HydrophobicContact CB-CG1 4.18Å; I43-I62 HydrophobicContact CB-CG2 4.05Å; I43-I62 HydrophobicContact CG2-CD1 3.58Å; I43-I62 HydrophobicContact CG2-CG1 3.88Å; I50-I62 HydrophobicContact CG2-CG2 3.51Å; Y52-I62 HydrophobicContact CE1-CB 4.27Å; Y52-I62 HydrophobicContact CE1-CG2 3.82Å; Y52-I62 PolarHBondContact OH-N 2.87Å; Y52-I62 VanDerWaalsContact OH-N 3.14Å; I62-L71 HydrophobicContact CD1-CD1 4.11Å; I62-L71 HydrophobicContact CD1-CD2 4.5Å; I62-L71 HydrophobicContact CG1-CD1 4.07Å; I62-F72 WeakPolarHBondContact CA-O 3.35Å; I62-L73 HydrophobicContact CB-CD1 4.25Å
63	S	98.5	Very high	97.5	Very high	44 Å²	44	52.6 Å²	52.6	31%	0.308	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	160.7	174.9	52.8	0	0	0	0	110.1	F72	S63-F72 PolarHBondContact N-O 3.39Å; S63-F72 PolarHBondContact O-N 3.21Å
64	R	98.2	Very high	97.5	Very high	28 Å²	28	54.9 Å²	54.9	11%	0.106	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	152.2	-178.6	73.1	-175.2	-47.8	-135	5.5	111.5	F21 Y24 I43 S45 S47 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.12Å; F21-R64 HydrophobicContact CZ-CB 4.18Å; F21-R64 PolarHBondContact O-NH2 3.25Å; Y24-R64 PolarHBondContact O-NH2 2.8Å; I43-R64 HydrophobicContact CD1-CB 4.44Å; I43-R64 HydrophobicContact CD1-CG 4.07Å; S45-R64 PolarHBondContact O-NH1 3.49Å; S47-R64 WeakPolarHBondContact OG-CD 3.02Å; S47-R64 WeakPolarHBondContact OG-CG 2.97Å; R64-N66 PolarHBondContact NE-OD1 3.23Å; R64-N66 PolarHBondContact NH1-ND2 2.87Å; R64-N66 PolarHBondContact NH1-OD1 3.33Å; R64-N66 PolarHBondContact NH2-OD1 3.01Å; R64-T70 WeakPolarHBondContact CA-O 3.13Å; R64-L71 HydrophobicContact CB-CD1 4.07Å
65	D	97.7	Very high	97.5	Very high	39 Å²	39	48.4 Å²	48.4	21%	0.209	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	107.6	169.8	-176.3	-24.1	0	0	0	108.3	A67 K68 N69 T70 F72	D65-A67 PolarHBondContact OD1-N 2.83Å; D65-K68 HydrophobicContact CB-CB 4.19Å; D65-K68 PolarHBondContact O-N 2.93Å; D65-K68 PolarHBondContact OD1-N 3.14Å; D65-K68 VanDerWaalsContact OD1-N 3.07Å; D65-K68 VanDerWaalsContact OD2-CD 3.31Å; D65-K68 WeakPolarHBondContact OD2-CD 3.42Å; D65-K68 WeakPolarHBondContact OD2-CE 3.29Å; D65-K68 VanDerWaalsContact OD2-CG 3.3Å; D65-K68 WeakPolarHBondContact OD2-CG 3.48Å; D65-K68 IonicContact OD2-NZ 2.74Å; D65-K68 PolarHBondContact OD2-NZ 3.5Å; D65-N69 PolarHBondContact O-N 2.79Å; D65-T70 PolarHBondContact N-O 3.14Å; D65-T70 PolarHBondContact O-N 3.49Å; D65-F72 HydrophobicContact CB-CE2 3.98Å
66	N	97	Very high	97.6	Very high	64 Å²	64	46.4 Å²	46.4	34%	0.342	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-31.3	-177	-68.8	-8.4	0	0	0	112.5	R64 K68 N69	R64-N66 PolarHBondContact NE-OD1 3.23Å; R64-N66 PolarHBondContact NH1-ND2 2.87Å; R64-N66 PolarHBondContact NH1-OD1 3.33Å; R64-N66 PolarHBondContact NH2-OD1 3.01Å; N66-K68 VanDerWaalsContact C-N 3.27Å; N66-K68 PolarHBondContact O-N 3.35Å; N66-N69 PolarHBondContact O-N 2.95Å; N66-N69 PolarHBondContact O-OD1 3.49Å
67	A	96.2	Very high	97.5	Very high	98 Å²	98	49.5 Å²	49.5	81%	0.81	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-30.8	177.9	0	0	0	0	0	111.2	D65	D65-A67 PolarHBondContact OD1-N 2.83Å
68	K	97	Very high	97.5	Very high	140 Å²	140	43.8 Å²	43.8	61%	0.609	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	3.2	177.9	-59.7	-168.7	-169.4	103.3	0	114.2	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.19Å; D65-K68 PolarHBondContact O-N 2.93Å; D65-K68 PolarHBondContact OD1-N 3.14Å; D65-K68 VanDerWaalsContact OD1-N 3.07Å; D65-K68 VanDerWaalsContact OD2-CD 3.31Å; D65-K68 WeakPolarHBondContact OD2-CD 3.42Å; D65-K68 WeakPolarHBondContact OD2-CE 3.29Å; D65-K68 VanDerWaalsContact OD2-CG 3.3Å; D65-K68 WeakPolarHBondContact OD2-CG 3.48Å; D65-K68 IonicContact OD2-NZ 2.74Å; D65-K68 PolarHBondContact OD2-NZ 3.5Å; N66-K68 VanDerWaalsContact C-N 3.27Å; N66-K68 PolarHBondContact O-N 3.35Å; K68-T70 PolarHBondContact O-N 3.38Å; K68-T70 VanDerWaalsContact O-N 3.08Å; K68-T70 PolarHBondContact O-OG1 2.78Å
69	N	97.5	Very high	97.4	Very high	65 Å²	65	46.7 Å²	46.7	35%	0.348	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	38.5	-173	-60.9	-34.7	0	0	0	113.1	A16 F21 D65 N66	A16-N69 PolarHBondContact N-O 2.88Å; F21-N69 HydrophobicContact CB-CB 3.92Å; F21-N69 VanDerWaalsContact CB-OD1 3.31Å; F21-N69 WeakPolarHBondContact CB-OD1 3.35Å; F21-N69 HydrophobicContact CD1-CB 4.5Å; F21-N69 HydrophobicContact CG-CB 4.19Å; D65-N69 PolarHBondContact O-N 2.79Å; N66-N69 PolarHBondContact O-N 2.95Å; N66-N69 PolarHBondContact O-OD1 3.49Å
70	T	98.2	Very high	97.1	Very high	19 Å²	19	49.4 Å²	49.4	12%	0.117	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.2	-170.4	-57.6	0	0	0	0	111.5	C14 R64 D65 K68 F72	C14-T70 CarbonylContact O-C 3.56Å; C14-T70 VanDerWaalsContact O-CA 3.32Å; C14-T70 WeakPolarHBondContact O-CA 3.37Å; R64-T70 WeakPolarHBondContact CA-O 3.13Å; D65-T70 PolarHBondContact N-O 3.14Å; D65-T70 PolarHBondContact O-N 3.49Å; K68-T70 PolarHBondContact O-N 3.38Å; K68-T70 VanDerWaalsContact O-N 3.08Å; K68-T70 PolarHBondContact O-OG1 2.78Å; T70-F72 HydrophobicContact CG2-CD1 4.15Å; T70-F72 HydrophobicContact CG2-CD2 4.36Å; T70-F72 HydrophobicContact CG2-CE1 3.53Å; T70-F72 HydrophobicContact CG2-CE2 3.76Å; T70-F72 HydrophobicContact CG2-CZ 3.31Å
71	L	98.6	Very high	96.8	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	140.1	171.4	-169.3	70.6	0	0	0	110	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.5Å; S13-L71 WeakPolarHBondContact CA-O 3.39Å; C14-L71 HydrophobicContact CB-CB 4.43Å; C14-L71 PolarHBondContact N-O 3.15Å; C14-L71 PolarHBondContact O-N 2.94Å; F21-L71 HydrophobicContact CE2-CB 4.39Å; F21-L71 HydrophobicContact CZ-CB 4.17Å; M26-L71 HydrophobicContact CB-CD1 3.74Å; M26-L71 HydrophobicContact CB-CD2 3.84Å; M26-L71 HydrophobicContact CB-CG 4.37Å; M26-L71 HydrophobicContact CG-CD1 4.35Å; W28-L71 HydrophobicContact CD2-CD2 4.41Å; W28-L71 HydrophobicContact CG-CD2 4.33Å; W28-L71 HydrophobicContact CZ2-CD2 4.41Å; W28-L71 VanDerWaalsContact NE1-CD2 3.29Å; I43-L71 HydrophobicContact CG2-CD1 3.6Å; I62-L71 HydrophobicContact CD1-CD1 4.11Å; I62-L71 HydrophobicContact CD1-CD2 4.5Å; I62-L71 HydrophobicContact CG1-CD1 4.07Å; R64-L71 HydrophobicContact CB-CD1 4.07Å; L71-C88 HydrophobicContact CD2-CB 3.95Å
72	F	98.4	Very high	96.5	Very high	40 Å²	40	51.8 Å²	51.8	18%	0.175	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.4	178.6	-56.2	-81.3	0	0	0	111.4	L12 W28 I62 S63 D65 T70	L12-F72 VanDerWaalsContact O-CA 3.24Å; L12-F72 WeakPolarHBondContact O-CA 3.34Å; W28-F72 PolarHBondContact NE1-O 2.88Å; I62-F72 WeakPolarHBondContact CA-O 3.35Å; S63-F72 PolarHBondContact N-O 3.39Å; S63-F72 PolarHBondContact O-N 3.21Å; D65-F72 HydrophobicContact CB-CE2 3.98Å; T70-F72 HydrophobicContact CG2-CD1 4.15Å; T70-F72 HydrophobicContact CG2-CD2 4.36Å; T70-F72 HydrophobicContact CG2-CE1 3.53Å; T70-F72 HydrophobicContact CG2-CE2 3.76Å; T70-F72 HydrophobicContact CG2-CZ 3.31Å
73	L	98.6	Very high	96.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	107.8	167.5	-169.5	66.2	0	0	0	108.5	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 WeakPolarHBondContact CA-O 3.32Å; L12-L73 HydrophobicContact CB-CB 4.28Å; L12-L73 HydrophobicContact CD1-CD2 4.49Å; L12-L73 PolarHBondContact N-O 3.01Å; L12-L73 PolarHBondContact O-N 3.14Å; W28-L73 HydrophobicContact CB-CD2 4.29Å; W28-L73 HydrophobicContact CD2-CB 4.11Å; W28-L73 HydrophobicContact CD2-CD2 4.21Å; W28-L73 HydrophobicContact CG-CB 4.21Å; W28-L73 HydrophobicContact CG-CD1 4.35Å; W28-L73 HydrophobicContact CG-CD2 4.03Å; W28-L73 HydrophobicContact CG-CG 4.44Å; W28-L73 HydrophobicContact CZ2-CB 4.2Å; V40-L73 HydrophobicContact CG1-CD2 4.21Å; A41-L73 HydrophobicContact CB-CD1 4.47Å; F60-L73 HydrophobicContact CB-CD1 4.2Å; F60-L73 HydrophobicContact CD2-CD2 4.13Å; F60-L73 HydrophobicContact CD2-CG 4.49Å; I62-L73 HydrophobicContact CB-CD1 4.25Å; L73-M75 HydrophobicContact CD2-CG 3.98Å; L73-M75 HydrophobicContact CD2-SD 4.17Å; L73-M75 HydrophobicContact CG-CG 3.89Å; L73-Y86 HydrophobicContact CD2-CD1 4.05Å; L73-Y86 HydrophobicContact CD2-CE1 4.2Å
74	Q	98.1	Very high	96.2	Very high	62 Å²	62	55.1 Å²	55.1	29%	0.29	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	124.8	167.8	-176.3	64.4	45.7	0	0	107.9	F60 T61 T76	F60-Q74 CarbonylContact C-O 3.57Å; F60-Q74 VanDerWaalsContact CA-O 3.25Å; F60-Q74 WeakPolarHBondContact CA-O 3.46Å; T61-Q74 PolarHBondContact N-O 2.84Å; T61-Q74 PolarHBondContact O-N 2.7Å; Q74-T76 HydrophobicContact CG-CG2 4.31Å
75	M	97.4	Very high	96.1	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.015	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.8	-179.6	-53.9	166.2	79	0	0	107.5	S9 L10 L12 F60 L73 L78 Y86	S9-M75 CarbonylContact C-O 3.53Å; S9-M75 WeakPolarHBondContact CA-O 3.03Å; S9-M75 WeakPolarHBondContact CB-O 3.45Å; L10-M75 PolarHBondContact N-O 2.92Å; L10-M75 PolarHBondContact O-N 3.37Å; L12-M75 HydrophobicContact CD1-SD 3.8Å; L12-M75 HydrophobicContact CG-SD 3.98Å; F60-M75 HydrophobicContact CD1-CB 3.79Å; F60-M75 HydrophobicContact CD1-CG 4.07Å; F60-M75 HydrophobicContact CD2-CE 4.27Å; F60-M75 HydrophobicContact CD2-CG 4.1Å; F60-M75 HydrophobicContact CE1-CB 3.75Å; F60-M75 HydrophobicContact CE1-CE 4.07Å; F60-M75 HydrophobicContact CE1-CG 4.11Å; F60-M75 HydrophobicContact CE2-CE 3.41Å; F60-M75 VanDerWaalsContact CE2-CE 3.41Å; F60-M75 HydrophobicContact CE2-CG 4.12Å; F60-M75 HydrophobicContact CG-CB 4.32Å; F60-M75 HydrophobicContact CG-CG 4.11Å; F60-M75 HydrophobicContact CZ-CB 4.21Å; F60-M75 HydrophobicContact CZ-CE 3.3Å; F60-M75 HydrophobicContact CZ-CG 4.15Å; L73-M75 HydrophobicContact CD2-CG 3.98Å; L73-M75 HydrophobicContact CD2-SD 4.17Å; L73-M75 HydrophobicContact CG-CG 3.89Å; M75-L78 HydrophobicContact CB-CD2 3.8Å; M75-L78 HydrophobicContact CB-CG 4.31Å; M75-L78 HydrophobicContact CE-CD2 3.57Å; M75-L78 HydrophobicContact SD-CD2 4.36Å; M75-Y86 HydrophobicContact CE-CE1 3.7Å; M75-Y86 HydrophobicContact CE-CE2 3.85Å; M75-Y86 VanDerWaalsContact CE-OH 3.26Å; M75-Y86 WeakPolarHBondContact CE-OH 3.38Å
76	T	96.6	Very high	96	Very high	47 Å²	47	59.7 Å²	59.7	29%	0.288	32%	0.322	S	S	.	.			trans	-116.3	160.7	175	67.9	0	0	0	0	110.4	R59 Q74 L78	R59-T76 PolarHBondContact O-N 3.07Å; R59-T76 PolarHBondContact O-OG1 3.44Å; Q74-T76 HydrophobicContact CG-CG2 4.31Å; T76-L78 VanDerWaalsContact C-N 3.27Å; T76-L78 PolarHBondContact O-N 2.78Å
77	S	94.9	Very high	96	Very high	66 Å²	66	61.3 Å²	61.3	46%	0.462	32%	0.324	S	S	.	.	S	Bend	trans	48.7	50.6	179.5	-56.7	0	0	0	0	112	G8 R59	G8-S77 PolarHBondContact O-N 2.62Å; R59-S77 PolarHBondContact NH1-O 2.8Å
78	L	95.4	Very high	96	Very high	20 Å²	20	58.7 Å²	58.7	11%	0.105	30%	0.3	C	S	.	.			trans	-60.1	138.7	-178.7	-77	169	0	0	0	111.3	V4 G7 G8 L10 F60 M75 T76 D82	V4-L78 HydrophobicContact CB-CD1 4.11Å; V4-L78 HydrophobicContact CG1-CD1 4.31Å; V4-L78 HydrophobicContact CG2-CD1 4.49Å; G7-L78 PolarHBondContact N-O 2.8Å; G8-L78 PolarHBondContact O-N 2.86Å; G8-L78 VanDerWaalsContact O-N 3.12Å; L10-L78 HydrophobicContact CB-CD1 3.88Å; F60-L78 HydrophobicContact CE1-CD2 4.12Å; F60-L78 HydrophobicContact CZ-CD2 4.17Å; M75-L78 HydrophobicContact CB-CD2 3.8Å; M75-L78 HydrophobicContact CB-CG 4.31Å; M75-L78 HydrophobicContact CE-CD2 3.57Å; M75-L78 HydrophobicContact SD-CD2 4.36Å; T76-L78 VanDerWaalsContact C-N 3.27Å; T76-L78 PolarHBondContact O-N 2.78Å; L78-D82 HydrophobicContact CD2-CB 3.98Å
79	R	94.1	Very high	96	Very high	139 Å²	139	54.9 Å²	54.9	53%	0.525	29%	0.288	S	S	.	.			trans	-115.2	166.2	177	-53.1	176.7	-179.9	170.9	-1.7	110.5	E81 D82	R79-E81 WeakPolarHBondContact CB-OE2 3.24Å; R79-E81 PolarHBondContact O-N 3Å; R79-D82 PolarHBondContact N-OD2 3.02Å; R79-D82 WeakPolarHBondContact O-CB 3.32Å; R79-D82 PolarHBondContact O-N 3.08Å
80	S	91.1	Very high	95.8	Very high	81 Å²	81	58.4 Å²	58.4	57%	0.566	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-53.7	-39.2	174.5	26.2	0	0	0	0	112.1	D82 T83	S80-D82 PolarHBondContact O-N 3.06Å; S80-T83 VanDerWaalsContact O-CB 3.3Å; S80-T83 WeakPolarHBondContact O-CB 3.49Å; S80-T83 PolarHBondContact O-N 3.47Å; S80-T83 VanDerWaalsContact O-N 3.13Å; S80-T83 PolarHBondContact O-OG1 3.42Å
81	E	91.5	Very high	95.7	Very high	120 Å²	120	60.4 Å²	60.4	56%	0.561	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-69.8	-13.1	-178.1	-51.9	72.6	-128.9	0	0	113.2	R79 T83	R79-E81 WeakPolarHBondContact CB-OE2 3.24Å; R79-E81 PolarHBondContact O-N 3Å; E81-T83 VanDerWaalsContact C-N 3.28Å
82	D	94	Very high	95.5	Very high	8 Å²	8	63.6 Å²	63.6	4%	0.043	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-85	-3.2	175.9	-59.3	-47.6	0	0	0	112.8	R30 R59 F60 L78 R79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 3.5Å; R30-D82 PolarHBondContact NH1-OD1 2.91Å; R59-D82 IonicContact CZ-OD1 3.42Å; R59-D82 IonicContact CZ-OD2 3.14Å; R59-D82 IonicContact NH1-OD1 2.68Å; R59-D82 IonicContact NH1-OD2 3Å; R59-D82 PolarHBondContact NH1-OD2 2.93Å; R59-D82 IonicContact NH2-OD1 3.27Å; R59-D82 PolarHBondContact NH2-OD1 2.86Å; R59-D82 IonicContact NH2-OD2 2.94Å; R59-D82 PolarHBondContact NH2-OD2 2Å; F60-D82 HydrophobicContact CZ-CB 4.11Å; L78-D82 HydrophobicContact CD2-CB 3.98Å; R79-D82 PolarHBondContact N-OD2 3.02Å; R79-D82 WeakPolarHBondContact O-CB 3.32Å; R79-D82 PolarHBondContact O-N 3.08Å; S80-D82 PolarHBondContact O-N 3.06Å; D82-A84 PolarHBondContact O-N 3.08Å; D82-A84 VanDerWaalsContact O-N 3.13Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.45Å; D82-Y86 PolarHBondContact O-OH 3.2Å
83	T	93.9	Very high	95.4	Very high	106 Å²	106	64.9 Å²	64.9	65%	0.65	33%	0.33	S	S	*	.			trans	-70.4	105.1	176.7	-52.8	0	0	0	0	110.1	S80 E81	S80-T83 VanDerWaalsContact O-CB 3.3Å; S80-T83 WeakPolarHBondContact O-CB 3.49Å; S80-T83 PolarHBondContact O-N 3.47Å; S80-T83 VanDerWaalsContact O-N 3.13Å; S80-T83 PolarHBondContact O-OG1 3.42Å; E81-T83 VanDerWaalsContact C-N 3.28Å
84	A	95.1	Very high	95.2	Very high	13 Å²	13	68.7 Å²	68.7	11%	0.107	35%	0.349	C	S	.	.	S	Bend	trans	-159	166.3	-177.4	0	0	0	0	0	110.2	R30 Q31 A32 D82 Y86	R30-A84 HydrophobicContact CB-CB 3.88Å; R30-A84 HydrophobicContact CG-CB 4.16Å; Q31-A84 WeakPolarHBondContact O-CA 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.34Å; A32-A84 HydrophobicContact CB-CB 4.38Å; D82-A84 PolarHBondContact O-N 3.08Å; D82-A84 VanDerWaalsContact O-N 3.13Å; A84-Y86 HydrophobicContact CB-CD2 4.44Å; A84-Y86 HydrophobicContact CB-CE2 3.93Å; A84-Y86 VanDerWaalsContact O-CD2 3.24Å; A84-Y86 WeakPolarHBondContact O-CD2 3.25Å; A84-Y86 WeakPolarHBondContact O-CE2 3.25Å
85	M	96.1	Very high	95	Very high	121 Å²	121	69.1 Å²	69.1	60%	0.596	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	133.9	160.6	-67	-61.6	89.1	0	0	109.4	R30 Q31 Y87	R30-M85 CarbonylContact C-O 3.48Å; R30-M85 WeakPolarHBondContact CA-O 3.43Å; R30-M85 WeakPolarHBondContact CB-O 3.31Å; Q31-M85 PolarHBondContact N-O 2.99Å; Q31-M85 PolarHBondContact O-N 3.13Å; M85-Y87 HydrophobicContact CB-CE2 3.72Å; M85-Y87 WeakPolarHBondContact CB-OH 3.47Å
86	Y	97.2	Very high	94.8	Very high	41 Å²	41	73.5 Å²	73.5	16%	0.161	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.7	-178.5	-74.6	-100.1	0	0	0	109.6	L12 V29 R30 V40 F60 L73 M75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.1Å; L12-Y86 HydrophobicContact CD1-CD2 4.08Å; L12-Y86 HydrophobicContact CD1-CG 3.65Å; V29-Y86 WeakPolarHBondContact O-CA 3.49Å; R30-Y86 HydrophobicContact CB-CD1 3.77Å; R30-Y86 HydrophobicContact CB-CD2 4.44Å; R30-Y86 HydrophobicContact CB-CE1 3.71Å; R30-Y86 HydrophobicContact CB-CE2 4.38Å; R30-Y86 HydrophobicContact CB-CG 4.14Å; R30-Y86 WeakPolarHBondContact CD-OH 3.45Å; R30-Y86 HydrophobicContact CG-CE1 4.35Å; R30-Y86 PolarHBondContact NH1-OH 3.38Å; V40-Y86 HydrophobicContact CG2-CE1 4.21Å; F60-Y86 HydrophobicContact CE2-CE1 4.3Å; L73-Y86 HydrophobicContact CD2-CD1 4.05Å; L73-Y86 HydrophobicContact CD2-CE1 4.2Å; M75-Y86 HydrophobicContact CE-CE1 3.7Å; M75-Y86 HydrophobicContact CE-CE2 3.85Å; M75-Y86 VanDerWaalsContact CE-OH 3.26Å; M75-Y86 WeakPolarHBondContact CE-OH 3.38Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.45Å; D82-Y86 PolarHBondContact O-OH 3.2Å; A84-Y86 HydrophobicContact CB-CD2 4.44Å; A84-Y86 HydrophobicContact CB-CE2 3.93Å; A84-Y86 VanDerWaalsContact O-CD2 3.24Å; A84-Y86 WeakPolarHBondContact O-CD2 3.25Å; A84-Y86 WeakPolarHBondContact O-CE2 3.25Å
87	Y	97	Very high	94.7	Very high	98 Å²	98	75.4 Å²	75.4	38%	0.384	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.4	-178.9	-49.8	-87.7	0	0	0	109.4	W28 V29 Q31 L37 M85	W28-Y87 WeakPolarHBondContact CA-O 3.31Å; W28-Y87 VanDerWaalsContact CE3-C 3.5Å; V29-Y87 HydrophobicContact CG2-CD2 4.3Å; V29-Y87 PolarHBondContact N-O 3.05Å; V29-Y87 PolarHBondContact O-N 3.02Å; Q31-Y87 HydrophobicContact CB-CE2 4.01Å; L37-Y87 HydrophobicContact CD2-CD2 4.27Å; L37-Y87 HydrophobicContact CD2-CE2 4.45Å; M85-Y87 HydrophobicContact CB-CE2 3.72Å; M85-Y87 WeakPolarHBondContact CB-OH 3.47Å
88	C	96.3	Very high	94.7	Very high	43 Å²	43	76.2 Å²	76.2	29%	0.291	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	135.1	164.4	50.4	0	0	0	0	108.5	C14 H27 W28 L71	C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.31Å; C14-C88 WeakPolarHBondContact SG-CB 3.3Å; C14-C88 CovalentContact SG-SG 2Å; C14-C88 PolarHBondContact SG-SG 2.79Å; H27-C88 WeakPolarHBondContact O-CA 3.46Å; W28-C88 HydrophobicContact CE3-CB 4.48Å; W28-C88 HydrophobicContact CH2-CB 4.34Å; W28-C88 HydrophobicContact CZ2-CB 4.45Å; W28-C88 HydrophobicContact CZ3-CB 4.35Å; L71-C88 HydrophobicContact CD2-CB 3.95Å
89	V	96.4	Very high	94.6	Very high	60 Å²	60	80.8 Å²	80.8	36%	0.364	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151.6	175.6	-59	0	0	0	0	109.8	H27 V29	H27-V89 HydrophobicContact CB-CG2 3.66Å; H27-V89 PolarHBondContact N-O 2.74Å; H27-V89 PolarHBondContact O-N 3.42Å; V29-V89 HydrophobicContact CG1-CG2 4.01Å; V29-V89 HydrophobicContact CG2-CG1 4.08Å; V29-V89 HydrophobicContact CG2-CG2 4.48Å
90	R	93.1	Very high	94.7	Very high	140 Å²	140	75.5 Å²	75.5	53%	0.528	39%	0.386	S	S	.	.			trans	-96.7	0	175.4	-174.1	-178.3	82.8	170.3	-7.2	109.5	F19 Y24 M26	F19-R90 HydrophobicContact CE2-CG 4.12Å; F19-R90 HydrophobicContact CZ-CB 4.3Å; F19-R90 HydrophobicContact CZ-CG 4.37Å; Y24-R90 VanDerWaalsContact CB-CG 3.45Å; Y24-R90 HydrophobicContact CD1-CG 3.75Å; Y24-R90 HydrophobicContact CD2-CG 4.43Å; Y24-R90 HydrophobicContact CG-CG 3.64Å; Y24-R90 PolarHBondContact OH-NH1 3.07Å; M26-R90 HydrophobicContact CE-CB 4.11Å; M26-R90 HydrophobicContact SD-CB 4.05Å; M26-R90 HydrophobicContact SD-CG 4.02Å

Retrieved 90 of 90 residues in 20.6 ms (Link to these results)

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