X5J4W3_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4W3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 92 aa.

						>X5J4W3_MOUSE|X5J4W3
GGLVKPGGSLKLSCAASGFTFSDYGMHWVRQAPEKGLEWVAYISSGSSTIYYADTVRGRFTISRDNAKNTLFLQMTSLRSEDTAMYYCARRG
					

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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	54.8	Low	81	Confident	117 Å²	117	90.3 Å²	90.3	100%	1.206	59%	0.59	S	S	*	*				0	144.4	0	0	0	0	0	0	108.6
2	G	68.3	Low	82.3	Confident	49 Å²	49	84.7 Å²	84.7	51%	0.505	55%	0.551	S	S	.	*			trans	-94.1	149.6	178.8	0	0	0	0	0	112
3	L	73	Confident	83.4	Confident	185 Å²	185	84.7 Å²	84.7	97%	0.969	55%	0.554	S	S	*	*			trans	-73.3	125.1	169.4	-172.8	73.3	0	0	0	108.8
4	V	79.6	Confident	84.4	Confident	55 Å²	55	79.9 Å²	79.9	33%	0.333	52%	0.523	S	S	.	.			trans	-124.9	140.2	179.6	-174.3	0	0	0	0	109	L10 L78	V4-L10 HydrophobicContact CG2-CB 4.03Å; V4-L10 HydrophobicContact CG2-CD1 3.88Å; V4-L10 HydrophobicContact CG2-CD2 4.27Å; V4-L10 HydrophobicContact CG2-CG 4.27Å; V4-L78 HydrophobicContact CB-CD1 4.07Å; V4-L78 HydrophobicContact CG1-CD1 4.06Å
5	K	79	Confident	85.2	Confident	177 Å²	177	80 Å²	80	77%	0.77	53%	0.533	S	S	*	.			trans	-65.2	149.9	175.2	-66.8	-177.8	179.1	-179.4	0	110.6	G8	K5-G8 PolarHBondContact O-N 2.99Å
6	P	78.9	Confident	85.8	Confident	110 Å²	110	76.1 Å²	76.1	71%	0.714	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	143	170.1	-25.7	34.4	0	0	0	111.8	G8	P6-G8 PolarHBondContact O-N 3.05Å
7	G	83.4	Confident	86.4	Confident	57 Å²	57	77.8 Å²	77.8	59%	0.588	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-10.8	-173.3	0	0	0	0	0	114.6	L78	G7-L78 PolarHBondContact N-O 2.8Å
8	G	90.3	Very high	86.8	Confident	22 Å²	22	78.3 Å²	78.3	23%	0.227	54%	0.542	C	S	.	.			trans	-72.4	178.6	176.5	0	0	0	0	0	113.7	K5 P6 S77 L78	K5-G8 PolarHBondContact O-N 2.99Å; P6-G8 PolarHBondContact O-N 3.05Å; G8-S77 PolarHBondContact O-N 2.85Å; G8-L78 PolarHBondContact O-N 2.76Å; G8-L78 VanDerWaalsContact O-N 3.11Å
9	S	93.3	Very high	87.1	Confident	68 Å²	68	76.8 Å²	76.8	48%	0.476	53%	0.526	S	S	.	.			trans	-122.5	145	174.4	-61.1	0	0	0	0	110.5	M75	S9-M75 CarbonylContact C-O 3.48Å; S9-M75 WeakPolarHBondContact CA-O 2.98Å; S9-M75 WeakPolarHBondContact CB-O 3.44Å
10	L	94.1	Very high	87.5	Confident	39 Å²	39	77 Å²	77	20%	0.204	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144.9	177	-176.8	59.9	0	0	0	109.2	V4 L12 M75 L78	V4-L10 HydrophobicContact CG2-CB 4.03Å; V4-L10 HydrophobicContact CG2-CD1 3.88Å; V4-L10 HydrophobicContact CG2-CD2 4.27Å; V4-L10 HydrophobicContact CG2-CG 4.27Å; L10-L12 HydrophobicContact CD2-CD2 3.66Å; L10-L12 HydrophobicContact CD2-CG 4.43Å; L10-L12 HydrophobicContact CG-CD2 4.01Å; L10-M75 PolarHBondContact N-O 3.1Å; L10-M75 PolarHBondContact O-N 2.75Å; L10-L78 HydrophobicContact CB-CD1 3.85Å
11	K	95.8	Very high	87.9	Confident	114 Å²	114	73.4 Å²	73.4	50%	0.496	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.4	168.3	-169.3	176.5	179.6	179.2	0	109.2	L73	K11-L73 WeakPolarHBondContact CA-O 3.33Å
12	L	96.8	Very high	89.8	Confident	23 Å²	23	70 Å²	70	12%	0.12	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	148.6	170.8	-56.9	-179.2	0	0	0	110	L10 W28 F72 L73 M75 Y86	L10-L12 HydrophobicContact CD2-CD2 3.66Å; L10-L12 HydrophobicContact CD2-CG 4.43Å; L10-L12 HydrophobicContact CG-CD2 4.01Å; L12-W28 HydrophobicContact CB-CH2 3.81Å; L12-W28 HydrophobicContact CB-CZ2 4.11Å; L12-W28 HydrophobicContact CB-CZ3 4.43Å; L12-W28 HydrophobicContact CD1-CH2 4.44Å; L12-W28 HydrophobicContact CD1-CZ3 4.24Å; L12-F72 VanDerWaalsContact O-CA 3.24Å; L12-F72 WeakPolarHBondContact O-CA 3.44Å; L12-L73 HydrophobicContact CB-CB 4.24Å; L12-L73 HydrophobicContact CD1-CD2 4.45Å; L12-L73 PolarHBondContact N-O 2.83Å; L12-L73 PolarHBondContact O-N 2.95Å; L12-M75 HydrophobicContact CD1-SD 3.63Å; L12-M75 HydrophobicContact CG-SD 3.81Å; L12-Y86 HydrophobicContact CD1-CD1 4.01Å; L12-Y86 HydrophobicContact CD1-CD2 4.08Å; L12-Y86 HydrophobicContact CD1-CG 3.62Å
13	S	97.5	Very high	91.1	Very high	85 Å²	85	72.8 Å²	72.8	59%	0.594	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.2	170.9	56.9	0	0	0	0	110.2	L71	S13-L71 CarbonylContact C-O 3.59Å; S13-L71 VanDerWaalsContact CA-O 3.32Å; S13-L71 WeakPolarHBondContact CA-O 3.35Å
14	C	97	Very high	92.2	Very high	17 Å²	17	67.6 Å²	67.6	12%	0.115	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	113.3	171.8	160.3	0	0	0	0	108.7	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 4.05Å; C14-T70 CarbonylContact O-C 3.5Å; C14-T70 WeakPolarHBondContact O-CA 3.26Å; C14-L71 HydrophobicContact CB-CB 4.38Å; C14-L71 PolarHBondContact N-O 3.17Å; C14-L71 PolarHBondContact O-N 3.32Å; C14-C88 HydrophobicContact CB-CB 3.49Å; C14-C88 VanDerWaalsContact CB-CB 3.49Å; C14-C88 WeakPolarHBondContact CB-SG 3.13Å; C14-C88 WeakPolarHBondContact SG-CB 3.25Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.77Å
15	A	96.9	Very high	93	Very high	82 Å²	82	65.3 Å²	65.3	68%	0.678	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.6	172.5	0	0	0	0	0	109.3
16	A	94.8	Very high	93.9	Very high	17 Å²	17	57 Å²	57	14%	0.14	38%	0.38	C	S	.	.			trans	-98.6	145	178.6	0	0	0	0	0	111.1	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.85Å; A16-F19 HydrophobicContact CB-CE2 4.46Å; A16-F19 HydrophobicContact CB-CZ 3.6Å; A16-F21 HydrophobicContact CB-CD2 3.58Å; A16-F21 HydrophobicContact CB-CE2 4.19Å; A16-F21 HydrophobicContact CB-CG 4.44Å; A16-N69 PolarHBondContact N-O 2.83Å
17	S	95	Very high	94.8	Very high	106 Å²	106	53.8 Å²	53.8	74%	0.741	36%	0.355	S	S	*	.			trans	-143.6	161.2	174.6	61.3	0	0	0	0	110.3	F19	S17-F19 WeakPolarHBondContact O-CD1 3.11Å
18	G	94.5	Very high	95.5	Very high	86 Å²	86	51.4 Å²	51.4	89%	0.887	33%	0.328	S	S	*	.	S	Bend	trans	82.1	7.6	177.9	0	0	0	0	0	115.7
19	F	92.4	Very high	95.9	Very high	51 Å²	51	51.6 Å²	51.6	22%	0.224	33%	0.325	C	S	.	.	S	Bend	trans	-158.6	162.7	172	62.9	-81.6	0	0	0	111.1	A16 S17 F21 Y24 M26 R90	A16-F19 HydrophobicContact CB-CE1 3.85Å; A16-F19 HydrophobicContact CB-CE2 4.46Å; A16-F19 HydrophobicContact CB-CZ 3.6Å; S17-F19 WeakPolarHBondContact O-CD1 3.11Å; F19-F21 HydrophobicContact CE2-CB 4.33Å; F19-F21 HydrophobicContact CE2-CD2 4.27Å; F19-F21 HydrophobicContact CZ-CD2 4.39Å; F19-F21 PolarHBondContact O-N 3.03Å; F19-Y24 HydrophobicContact CB-CE2 4.43Å; F19-Y24 AromaticContact CD2-CD2 3.6Å; F19-Y24 HydrophobicContact CD2-CD2 3.6Å; F19-Y24 AromaticContact CD2-CE2 3.95Å; F19-Y24 HydrophobicContact CD2-CE2 3.95Å; F19-Y24 HydrophobicContact CD2-CG 4.39Å; F19-Y24 HydrophobicContact CE2-CD2 4.08Å; F19-M26 HydrophobicContact CE2-SD 4.33Å; F19-M26 HydrophobicContact CZ-CE 4.22Å; F19-M26 HydrophobicContact CZ-SD 4.45Å; F19-R90 HydrophobicContact CE2-CB 4.22Å; F19-R90 HydrophobicContact CZ-CB 4.2Å
20	T	95	Very high	96	Very high	80 Å²	80	49 Å²	49	49%	0.491	30%	0.304	S	S	.	.			trans	-73.5	94.2	173.9	-51.1	0	0	0	0	110	S22 D23 Y24	T20-S22 WeakPolarHBondContact CG2-OG 3.28Å; T20-S22 PolarHBondContact O-N 3.27Å; T20-D23 WeakPolarHBondContact CB-OD2 3.41Å; T20-D23 HydrophobicContact CG2-CB 4.48Å; T20-D23 VanDerWaalsContact CG2-CG 3.46Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.37Å; T20-D23 VanDerWaalsContact CG2-OD2 3.22Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.5Å; T20-D23 PolarHBondContact O-N 2.82Å; T20-Y24 WeakPolarHBondContact O-CD2 3.4Å
21	F	95.4	Very high	96.1	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-55.3	-35.8	-173.8	176.4	-98.2	0	0	0	114	A16 F19 D23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CD2 3.58Å; A16-F21 HydrophobicContact CB-CE2 4.19Å; A16-F21 HydrophobicContact CB-CG 4.44Å; F19-F21 HydrophobicContact CE2-CB 4.33Å; F19-F21 HydrophobicContact CE2-CD2 4.27Å; F19-F21 HydrophobicContact CZ-CD2 4.39Å; F19-F21 PolarHBondContact O-N 3.03Å; F21-D23 PolarHBondContact O-N 3.16Å; F21-Y24 PolarHBondContact O-N 3.26Å; F21-M26 HydrophobicContact CD2-CE 4.21Å; F21-M26 HydrophobicContact CD2-CG 4.26Å; F21-M26 HydrophobicContact CD2-SD 4.05Å; F21-M26 HydrophobicContact CE2-CE 3.84Å; F21-M26 HydrophobicContact CE2-CG 3.59Å; F21-M26 HydrophobicContact CE2-SD 3.87Å; F21-M26 HydrophobicContact CZ-CG 3.94Å; F21-R64 HydrophobicContact CE1-CB 4.15Å; F21-R64 HydrophobicContact CZ-CB 4.16Å; F21-R64 PolarHBondContact O-NH2 2.01Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.29Å; F21-N69 HydrophobicContact CB-CB 3.91Å; F21-N69 WeakPolarHBondContact CB-OD1 3.39Å; F21-N69 HydrophobicContact CG-CB 4.18Å; F21-L71 HydrophobicContact CE2-CB 4.36Å; F21-L71 HydrophobicContact CZ-CB 4.23Å
22	S	95.6	Very high	96	Very high	46 Å²	46	46.3 Å²	46.3	32%	0.322	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-61.7	-23.9	179	52	0	0	0	0	113.9	T20 Y24 S45	T20-S22 WeakPolarHBondContact CG2-OG 3.28Å; T20-S22 PolarHBondContact O-N 3.27Å; S22-Y24 VanDerWaalsContact C-N 3.32Å; S22-S45 WeakPolarHBondContact O-CB 3.29Å
23	D	95.1	Very high	95.6	Very high	107 Å²	107	51.4 Å²	51.4	57%	0.572	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-82.7	-17.2	-173.3	-59.6	-7.6	0	0	0	111.8	T20 F21	T20-D23 WeakPolarHBondContact CB-OD2 3.41Å; T20-D23 HydrophobicContact CG2-CB 4.48Å; T20-D23 VanDerWaalsContact CG2-CG 3.46Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.37Å; T20-D23 VanDerWaalsContact CG2-OD2 3.22Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.5Å; T20-D23 PolarHBondContact O-N 2.82Å; F21-D23 PolarHBondContact O-N 3.16Å
24	Y	95.9	Very high	95.2	Very high	77 Å²	77	56.6 Å²	56.6	30%	0.302	35%	0.345	S	S	.	.	S	Bend	trans	-109.9	143.1	-173.2	-62.5	-90.2	0	0	0	112.3	F19 T20 F21 S22 R64 R91	F19-Y24 HydrophobicContact CB-CE2 4.43Å; F19-Y24 AromaticContact CD2-CD2 3.6Å; F19-Y24 HydrophobicContact CD2-CD2 3.6Å; F19-Y24 AromaticContact CD2-CE2 3.95Å; F19-Y24 HydrophobicContact CD2-CE2 3.95Å; F19-Y24 HydrophobicContact CD2-CG 4.39Å; F19-Y24 HydrophobicContact CE2-CD2 4.08Å; T20-Y24 WeakPolarHBondContact O-CD2 3.4Å; F21-Y24 PolarHBondContact O-N 3.26Å; S22-Y24 VanDerWaalsContact C-N 3.32Å; Y24-R64 PolarHBondContact O-NH1 3Å; Y24-R91 VanDerWaalsContact CD1-O 3.28Å; Y24-R91 WeakPolarHBondContact CD1-O 3.35Å
25	G	96.9	Very high	94.7	Very high	6 Å²	6	61.4 Å²	61.4	6%	0.062	36%	0.364	C	S	.	.			trans	-70.3	148.7	158	0	0	0	0	0	110.1	I43 R91	G25-I43 CarbonylContact C-O 3.51Å; G25-I43 VanDerWaalsContact CA-O 3.29Å; G25-I43 WeakPolarHBondContact CA-O 3.36Å; G25-R91 WeakPolarHBondContact O-CB 3.5Å; G25-R91 PolarHBondContact O-N 3.08Å
26	M	97.9	Very high	94.5	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.02	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.5	-174.3	-60.2	-56.9	-64.6	0	0	110.8	F19 F21 Y42 I43 L71 R90	F19-M26 HydrophobicContact CE2-SD 4.33Å; F19-M26 HydrophobicContact CZ-CE 4.22Å; F19-M26 HydrophobicContact CZ-SD 4.45Å; F21-M26 HydrophobicContact CD2-CE 4.21Å; F21-M26 HydrophobicContact CD2-CG 4.26Å; F21-M26 HydrophobicContact CD2-SD 4.05Å; F21-M26 HydrophobicContact CE2-CE 3.84Å; F21-M26 HydrophobicContact CE2-CG 3.59Å; F21-M26 HydrophobicContact CE2-SD 3.87Å; F21-M26 HydrophobicContact CZ-CG 3.94Å; M26-Y42 WeakPolarHBondContact O-CA 3.22Å; M26-Y42 VanDerWaalsContact O-CD2 3.31Å; M26-Y42 WeakPolarHBondContact O-CD2 3.31Å; M26-I43 HydrophobicContact CB-CG2 4.15Å; M26-I43 PolarHBondContact N-O 2.67Å; M26-I43 PolarHBondContact O-N 3Å; 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 4.35Å; M26-R90 HydrophobicContact CE-CB 4.11Å; M26-R90 HydrophobicContact SD-CB 3.8Å
27	H	97.9	Very high	94.4	Very high	42 Å²	42	64.8 Å²	64.8	19%	0.194	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.7	-179.2	-58.7	-102.9	0	0	0	110.3	V29 W39 A41 Y42 C88 A89	H27-V29 HydrophobicContact CB-CG2 4.46Å; H27-W39 AromaticContact ND1-CD1 3.74Å; H27-W39 AromaticContact ND1-NE1 3.27Å; H27-W39 PolarHBondContact ND1-NE1 3.37Å; H27-A41 CarbonylContact C-O 3.42Å; H27-A41 VanDerWaalsContact CA-O 3.29Å; H27-A41 WeakPolarHBondContact CA-O 3.41Å; H27-Y42 AromaticContact CD2-CD2 3.85Å; H27-Y42 AromaticContact CE1-CD2 3.23Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.47Å; H27-Y42 AromaticContact CE1-CE2 3.83Å; H27-Y42 AromaticContact CG-CD2 3.96Å; H27-Y42 AromaticContact ND1-CD2 3.6Å; H27-Y42 AromaticContact NE2-CD2 3.38Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.4Å; H27-Y42 AromaticContact NE2-CE2 3.6Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 VanDerWaalsContact O-CA 3.3Å; H27-C88 WeakPolarHBondContact O-CA 3.41Å; H27-A89 HydrophobicContact CB-CB 4.43Å; H27-A89 PolarHBondContact N-O 3Å; H27-A89 PolarHBondContact O-N 3.44Å
28	W	98.2	Very high	94.5	Very high	7 Å²	7	62.4 Å²	62.4	3%	0.027	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	136.4	155.2	-80	101.5	0	0	0	109.3	L12 C14 V40 A41 L71 F72 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.81Å; L12-W28 HydrophobicContact CB-CZ2 4.11Å; L12-W28 HydrophobicContact CB-CZ3 4.43Å; L12-W28 HydrophobicContact CD1-CH2 4.44Å; L12-W28 HydrophobicContact CD1-CZ3 4.24Å; C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 4.05Å; W28-V40 HydrophobicContact CB-CB 4.1Å; W28-V40 HydrophobicContact CB-CG1 4.47Å; W28-V40 WeakPolarHBondContact O-CB 3.14Å; W28-V40 PolarHBondContact O-N 3.27Å; W28-A41 PolarHBondContact N-O 2.94Å; W28-A41 PolarHBondContact O-N 3.05Å; W28-L71 HydrophobicContact CD2-CD2 4.32Å; W28-L71 HydrophobicContact CG-CD2 4.26Å; W28-L71 HydrophobicContact CZ2-CD2 4.37Å; W28-L71 HydrophobicContact CZ2-CG 4.48Å; W28-L71 VanDerWaalsContact NE1-CD2 3.29Å; W28-F72 PolarHBondContact NE1-O 2.82Å; W28-L73 HydrophobicContact CB-CD2 4.28Å; W28-L73 HydrophobicContact CD2-CB 4.09Å; W28-L73 HydrophobicContact CD2-CD2 4.17Å; W28-L73 HydrophobicContact CG-CB 4.21Å; W28-L73 HydrophobicContact CG-CD1 4.31Å; W28-L73 HydrophobicContact CG-CD2 4.01Å; W28-L73 HydrophobicContact CG-CG 4.42Å; W28-L73 HydrophobicContact CZ2-CB 4.14Å; W28-Y87 WeakPolarHBondContact CA-O 3.39Å; W28-C88 HydrophobicContact CZ3-CB 4.46Å
29	V	97.4	Very high	94.6	Very high	25 Å²	25	63 Å²	63	15%	0.152	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.7	176.9	-171.5	0	0	0	0	107.1	H27 L37 E38 Y86 Y87	H27-V29 HydrophobicContact CB-CG2 4.46Å; V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.68Å; V29-L37 HydrophobicContact CG1-CG 4.29Å; V29-E38 CarbonylContact C-O 3.54Å; V29-E38 WeakPolarHBondContact CA-O 3.38Å; V29-E38 VanDerWaalsContact CG1-O 3.28Å; V29-E38 WeakPolarHBondContact CG1-O 3.23Å; V29-Y86 WeakPolarHBondContact O-CA 3.31Å; V29-Y87 PolarHBondContact N-O 3.06Å; V29-Y87 PolarHBondContact O-N 3.01Å
30	R	96.3	Very high	94.8	Very high	13 Å²	13	60.6 Å²	60.6	5%	0.049	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.9	175.5	73.2	-178.4	-175.2	-177.8	5	111.9	E38 V40 D82 A84 M85 Y86	R30-E38 HydrophobicContact CG-CB 4.04Å; R30-E38 IonicContact CZ-OE2 3.37Å; R30-E38 PolarHBondContact N-O 3.07Å; R30-E38 IonicContact NE-OE2 3.03Å; R30-E38 PolarHBondContact NE-OE2 2.72Å; R30-E38 IonicContact NH2-OE2 2.82Å; R30-E38 PolarHBondContact NH2-OE2 3.22Å; R30-E38 VanDerWaalsContact NH2-OE2 3.1Å; R30-E38 PolarHBondContact O-N 3.45Å; R30-V40 HydrophobicContact CB-CG2 3.87Å; R30-V40 HydrophobicContact CG-CG2 3.64Å; R30-D82 IonicContact NH1-OD1 3.49Å; R30-D82 PolarHBondContact NH1-OD1 2.78Å; R30-D82 VanDerWaalsContact NH1-OD1 3.07Å; R30-A84 HydrophobicContact CB-CB 3.89Å; R30-A84 HydrophobicContact CG-CB 4.17Å; R30-M85 CarbonylContact C-O 3.54Å; R30-M85 WeakPolarHBondContact CA-O 3.41Å; R30-Y86 HydrophobicContact CB-CD1 3.78Å; R30-Y86 HydrophobicContact CB-CD2 4.42Å; R30-Y86 HydrophobicContact CB-CE1 3.7Å; R30-Y86 HydrophobicContact CB-CE2 4.34Å; R30-Y86 HydrophobicContact CB-CG 4.14Å; R30-Y86 WeakPolarHBondContact CD-OH 3.31Å; R30-Y86 HydrophobicContact CG-CE1 4.37Å; R30-Y86 PolarHBondContact NH1-OH 2.89Å
31	Q	95.8	Very high	95	Very high	80 Å²	80	56.8 Å²	56.8	37%	0.374	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	113.4	175.4	-168	176.3	17.2	0	0	109.3	K35 L37 A84 M85 Y87	Q31-K35 WeakPolarHBondContact CG-O 3.42Å; Q31-L37 HydrophobicContact CB-CD2 4.07Å; Q31-A84 WeakPolarHBondContact O-CA 3.44Å; Q31-A84 WeakPolarHBondContact O-CB 3.43Å; Q31-M85 PolarHBondContact N-O 2.8Å; Q31-M85 PolarHBondContact O-N 3.1Å; Q31-Y87 HydrophobicContact CB-CE2 3.98Å
32	A	92.9	Very high	95.1	Very high	18 Å²	18	57.8 Å²	57.8	15%	0.149	30%	0.303	C	S	.	.			trans	-82	154.2	170.3	0	0	0	0	0	109.7	E34 K35 A84	A32-E34 PolarHBondContact O-N 2.87Å; A32-K35 HydrophobicContact CB-CB 4.13Å; A32-K35 HydrophobicContact CB-CD 4.36Å; A32-K35 HydrophobicContact CB-CG 4.26Å; A32-K35 PolarHBondContact O-N 3.1Å; A32-K35 VanDerWaalsContact O-O 3.06Å; A32-A84 HydrophobicContact CB-CB 4.35Å
33	P	88.3	Confident	95.3	Very high	130 Å²	130	55.7 Å²	55.7	84%	0.844	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-32.3	-175.3	-28.5	35.5	0	0	0	115.2
34	E	89.1	Confident	95.4	Very high	193 Å²	193	51 Å²	51	90%	0.902	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	7.2	-177.7	-59.9	-177.7	171.1	0	0	113.3	A32	A32-E34 PolarHBondContact O-N 2.87Å
35	K	87.7	Confident	95.3	Very high	118 Å²	118	49.8 Å²	49.8	51%	0.513	27%	0.266	S	S	.	.	S	Bend	trans	-128.1	158.2	-174.3	-61.5	-170.4	175.9	-176.7	0	112.3	Q31 A32 E38	Q31-K35 WeakPolarHBondContact CG-O 3.42Å; A32-K35 HydrophobicContact CB-CB 4.13Å; A32-K35 HydrophobicContact CB-CD 4.36Å; A32-K35 HydrophobicContact CB-CG 4.26Å; A32-K35 PolarHBondContact O-N 3.1Å; A32-K35 VanDerWaalsContact O-O 3.06Å; K35-E38 VanDerWaalsContact CD-OE1 3.26Å; K35-E38 WeakPolarHBondContact CD-OE1 3.46Å; K35-E38 IonicContact NZ-OE1 3.07Å; K35-E38 PolarHBondContact NZ-OE1 3.2Å
36	G	91.5	Very high	95.2	Very high	51 Å²	51	52.2 Å²	52.2	53%	0.526	29%	0.291	S	S	.	.			trans	-69.1	-174.2	167.8	0	0	0	0	0	112.7	E38	G36-E38 PolarHBondContact O-N 2.9Å
37	L	94.1	Very high	95.1	Very high	120 Å²	120	54.5 Å²	54.5	63%	0.628	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	122.3	172.4	-73.3	167.1	0	0	0	110.3	V29 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.68Å; V29-L37 HydrophobicContact CG1-CG 4.29Å; Q31-L37 HydrophobicContact CB-CD2 4.07Å; L37-Y87 HydrophobicContact CD2-CD2 4.23Å; L37-Y87 HydrophobicContact CD2-CE2 4.49Å
38	E	95.8	Very high	95	Very high	56 Å²	56	57.7 Å²	57.7	26%	0.262	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.5	174.6	-64.9	-177.2	156.4	0	0	109.4	V29 R30 K35 G36	V29-E38 CarbonylContact C-O 3.54Å; V29-E38 WeakPolarHBondContact CA-O 3.38Å; V29-E38 VanDerWaalsContact CG1-O 3.28Å; V29-E38 WeakPolarHBondContact CG1-O 3.23Å; R30-E38 HydrophobicContact CG-CB 4.04Å; R30-E38 IonicContact CZ-OE2 3.37Å; R30-E38 PolarHBondContact N-O 3.07Å; R30-E38 IonicContact NE-OE2 3.03Å; R30-E38 PolarHBondContact NE-OE2 2.72Å; R30-E38 IonicContact NH2-OE2 2.82Å; R30-E38 PolarHBondContact NH2-OE2 3.22Å; R30-E38 VanDerWaalsContact NH2-OE2 3.1Å; R30-E38 PolarHBondContact O-N 3.45Å; K35-E38 VanDerWaalsContact CD-OE1 3.26Å; K35-E38 WeakPolarHBondContact CD-OE1 3.46Å; K35-E38 IonicContact NZ-OE1 3.07Å; K35-E38 PolarHBondContact NZ-OE1 3.2Å; G36-E38 PolarHBondContact O-N 2.9Å
39	W	97.1	Very high	94.9	Very high	98 Å²	98	59.8 Å²	59.8	37%	0.371	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	138.3	173.2	176.7	78.8	0	0	0	111	H27 A41 Y52 A53	H27-W39 AromaticContact ND1-CD1 3.74Å; H27-W39 AromaticContact ND1-NE1 3.27Å; H27-W39 PolarHBondContact ND1-NE1 3.37Å; W39-A41 PolarHBondContact NE1-O 3.05Å; W39-A41 VanDerWaalsContact NE1-O 3.1Å; W39-Y52 VanDerWaalsContact CZ3-C 3.48Å; W39-A53 HydrophobicContact CE3-CB 3.96Å; W39-A53 HydrophobicContact CZ3-CB 3.95Å; W39-A53 VanDerWaalsContact CZ3-N 3.26Å; W39-A53 WeakPolarHBondContact O-CB 3.17Å
40	V	97.6	Very high	95	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.006	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-52.6	-173.9	178.2	0	0	0	0	111.9	W28 R30 A53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.1Å; W28-V40 HydrophobicContact CB-CG1 4.47Å; W28-V40 WeakPolarHBondContact O-CB 3.14Å; W28-V40 PolarHBondContact O-N 3.27Å; R30-V40 HydrophobicContact CB-CG2 3.87Å; R30-V40 HydrophobicContact CG-CG2 3.64Å; V40-A53 PolarHBondContact O-N 3.04Å; V40-V56 HydrophobicContact CG1-CG1 4.42Å; V40-V56 HydrophobicContact CG1-CG2 4.03Å; V40-F60 HydrophobicContact CG1-CD2 3.83Å; V40-F60 HydrophobicContact CG1-CE2 4.26Å; V40-L73 HydrophobicContact CG1-CD2 4.2Å; V40-Y86 HydrophobicContact CG2-CE1 4.22Å
41	A	98.1	Very high	95.1	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	160.4	-176.3	0	0	0	0	0	111.9	H27 W28 W39 Y51 Y52 I62	H27-A41 CarbonylContact C-O 3.42Å; H27-A41 VanDerWaalsContact CA-O 3.29Å; H27-A41 WeakPolarHBondContact CA-O 3.41Å; W28-A41 PolarHBondContact N-O 2.94Å; W28-A41 PolarHBondContact O-N 3.05Å; W39-A41 PolarHBondContact NE1-O 3.05Å; W39-A41 VanDerWaalsContact NE1-O 3.1Å; A41-Y51 CarbonylContact C-O 3.48Å; A41-Y51 VanDerWaalsContact CA-O 3.23Å; A41-Y51 WeakPolarHBondContact CA-O 3.48Å; A41-Y52 HydrophobicContact CB-CD1 3.78Å; A41-Y52 HydrophobicContact CB-CE1 4.09Å; A41-I62 HydrophobicContact CB-CB 4.04Å; A41-I62 HydrophobicContact CB-CD1 4Å; A41-I62 HydrophobicContact CB-CG2 4.16Å
42	Y	98.3	Very high	95.2	Very high	21 Å²	21	66.2 Å²	66.2	8%	0.082	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144	175.4	169.6	-102.7	0	0	0	110.5	M26 H27 T49 I50 Y51	M26-Y42 WeakPolarHBondContact O-CA 3.22Å; M26-Y42 VanDerWaalsContact O-CD2 3.31Å; M26-Y42 WeakPolarHBondContact O-CD2 3.31Å; H27-Y42 AromaticContact CD2-CD2 3.85Å; H27-Y42 AromaticContact CE1-CD2 3.23Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.47Å; H27-Y42 AromaticContact CE1-CE2 3.83Å; H27-Y42 AromaticContact CG-CD2 3.96Å; H27-Y42 AromaticContact ND1-CD2 3.6Å; H27-Y42 AromaticContact NE2-CD2 3.38Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.4Å; H27-Y42 AromaticContact NE2-CE2 3.6Å; Y42-T49 HydrophobicContact CE1-CG2 4.4Å; Y42-I50 VanDerWaalsContact O-CA 3.31Å; Y42-I50 WeakPolarHBondContact O-CA 3.23Å; Y42-Y51 AromaticContact CD1-CD2 3.7Å; Y42-Y51 HydrophobicContact CD1-CD2 3.7Å; Y42-Y51 HydrophobicContact CD1-CE2 4.29Å; Y42-Y51 HydrophobicContact CE1-CD2 4.42Å; Y42-Y51 PolarHBondContact N-O 3.27Å; Y42-Y51 PolarHBondContact O-N 2.91Å
43	I	98.4	Very high	95.4	Very high	3 Å²	3	66 Å²	66	2%	0.015	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	129.6	169.7	-172.6	161	0	0	0	110	G25 M26 I50 I62 R64 L71	G25-I43 CarbonylContact C-O 3.51Å; G25-I43 VanDerWaalsContact CA-O 3.29Å; G25-I43 WeakPolarHBondContact CA-O 3.36Å; M26-I43 HydrophobicContact CB-CG2 4.15Å; M26-I43 PolarHBondContact N-O 2.67Å; M26-I43 PolarHBondContact O-N 3Å; I43-I50 HydrophobicContact CB-CG1 4.47Å; I43-I50 HydrophobicContact CD1-CD1 4.07Å; I43-I50 HydrophobicContact CD1-CG1 4.23Å; I43-I50 HydrophobicContact CG1-CD1 4.4Å; I43-I50 HydrophobicContact CG1-CG1 4.01Å; I43-I62 HydrophobicContact CB-CD1 3.94Å; I43-I62 HydrophobicContact CB-CG1 4.21Å; I43-I62 HydrophobicContact CB-CG2 4.1Å; I43-I62 HydrophobicContact CG2-CD1 3.57Å; I43-I62 HydrophobicContact CG2-CG1 3.9Å; I43-R64 HydrophobicContact CD1-CB 4.48Å; I43-R64 HydrophobicContact CD1-CG 3.91Å; I43-R64 HydrophobicContact CG1-CG 4.47Å; I43-L71 HydrophobicContact CG2-CD1 3.62Å
44	S	97.4	Very high	95.8	Very high	9 Å²	9	65.9 Å²	65.9	6%	0.063	36%	0.362	C	S	.	.			trans	-65.5	164.8	175	58.2	0	0	0	0	112.7	G46 S47 S48 T49 R64	S44-G46 VanDerWaalsContact C-N 3.31Å; S44-G46 PolarHBondContact O-N 2.88Å; S44-S47 PolarHBondContact O-N 3.36Å; S44-S47 PolarHBondContact OG-N 3.03Å; S44-S48 PolarHBondContact OG-N 2.8Å; S44-T49 PolarHBondContact N-O 2.84Å; S44-T49 PolarHBondContact OG-N 3.27Å; S44-T49 PolarHBondContact OG-O 2.78Å; S44-R64 PolarHBondContact O-NH1 2.94Å; S44-R64 VanDerWaalsContact O-NH1 3.08Å
45	S	95.5	Very high	96	Very high	50 Å²	50	61 Å²	61	35%	0.35	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-49.6	173.1	41.9	0	0	0	0	113.4	S22 R64 N66	S22-S45 WeakPolarHBondContact O-CB 3.29Å; S45-R64 PolarHBondContact O-NE 2.79Å; S45-N66 PolarHBondContact O-ND2 3.33Å
46	G	93.8	Very high	96.3	Very high	57 Å²	57	55.3 Å²	55.3	59%	0.588	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	10.4	179.6	0	0	0	0	0	115.4	S44 S48	S44-G46 VanDerWaalsContact C-N 3.31Å; S44-G46 PolarHBondContact O-N 2.88Å; G46-S48 PolarHBondContact O-N 2.99Å
47	S	95.7	Very high	96.5	Very high	53 Å²	53	60.3 Å²	60.3	37%	0.371	32%	0.324	S	S	.	.	S	Bend	trans	57.1	10.8	-177.6	-52.5	0	0	0	0	116.3	S44 R64	S44-S47 PolarHBondContact O-N 3.36Å; S44-S47 PolarHBondContact OG-N 3.03Å; S47-R64 WeakPolarHBondContact OG-CD 3.28Å; S47-R64 WeakPolarHBondContact OG-CG 3.49Å
48	S	95.9	Very high	96.6	Very high	108 Å²	108	58.3 Å²	58.3	76%	0.755	33%	0.333	S	S	*	.	S	Bend	trans	-74.5	-27.1	179.4	58.2	0	0	0	0	113.1	S44 G46	S44-S48 PolarHBondContact OG-N 2.8Å; G46-S48 PolarHBondContact O-N 2.99Å
49	T	97.3	Very high	96.6	Very high	51 Å²	51	56.7 Å²	56.7	31%	0.313	32%	0.324	S	S	.	.			trans	-119.1	125.6	178.7	-55.3	0	0	0	0	109.9	Y42 S44 Y51	Y42-T49 HydrophobicContact CE1-CG2 4.4Å; S44-T49 PolarHBondContact N-O 2.84Å; S44-T49 PolarHBondContact OG-N 3.27Å; S44-T49 PolarHBondContact OG-O 2.78Å; T49-Y51 HydrophobicContact CG2-CD2 4.03Å; T49-Y51 HydrophobicContact CG2-CE1 4.34Å; T49-Y51 HydrophobicContact CG2-CE2 3.29Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.48Å
50	I	98.2	Very high	96.6	Very high	67 Å²	67	52.2 Å²	52.2	34%	0.344	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	131.9	177.9	-59.5	178.6	0	0	0	109.1	Y42 I43 Y52 I62	Y42-I50 VanDerWaalsContact O-CA 3.31Å; Y42-I50 WeakPolarHBondContact O-CA 3.23Å; I43-I50 HydrophobicContact CB-CG1 4.47Å; I43-I50 HydrophobicContact CD1-CD1 4.07Å; I43-I50 HydrophobicContact CD1-CG1 4.23Å; I43-I50 HydrophobicContact CG1-CD1 4.4Å; I43-I50 HydrophobicContact CG1-CG1 4.01Å; I50-Y52 HydrophobicContact CG2-CD2 4.13Å; I50-Y52 HydrophobicContact CG2-CE1 4.29Å; I50-Y52 HydrophobicContact CG2-CE2 3.37Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.47Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.47Å; I50-I62 HydrophobicContact CG2-CG2 3.52Å
51	Y	98	Very high	96.7	Very high	141 Å²	141	55.8 Å²	55.8	55%	0.553	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.4	173.9	-59	-65.2	0	0	0	110.8	A41 Y42 T49	A41-Y51 CarbonylContact C-O 3.48Å; A41-Y51 VanDerWaalsContact CA-O 3.23Å; A41-Y51 WeakPolarHBondContact CA-O 3.48Å; Y42-Y51 AromaticContact CD1-CD2 3.7Å; Y42-Y51 HydrophobicContact CD1-CD2 3.7Å; Y42-Y51 HydrophobicContact CD1-CE2 4.29Å; Y42-Y51 HydrophobicContact CE1-CD2 4.42Å; Y42-Y51 PolarHBondContact N-O 3.27Å; Y42-Y51 PolarHBondContact O-N 2.91Å; T49-Y51 HydrophobicContact CG2-CD2 4.03Å; T49-Y51 HydrophobicContact CG2-CE1 4.34Å; T49-Y51 HydrophobicContact CG2-CE2 3.29Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.48Å
52	Y	98.3	Very high	96.7	Very high	46 Å²	46	55.9 Å²	55.9	18%	0.18	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.3	177.4	-62.4	-79.4	0	0	0	109.8	W39 A41 I50 F60 T61 I62	W39-Y52 VanDerWaalsContact CZ3-C 3.48Å; A41-Y52 HydrophobicContact CB-CD1 3.78Å; A41-Y52 HydrophobicContact CB-CE1 4.09Å; I50-Y52 HydrophobicContact CG2-CD2 4.13Å; I50-Y52 HydrophobicContact CG2-CE1 4.29Å; I50-Y52 HydrophobicContact CG2-CE2 3.37Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.47Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.47Å; Y52-F60 WeakPolarHBondContact CE1-O 3.49Å; Y52-T61 WeakPolarHBondContact OH-CA 3.31Å; Y52-I62 HydrophobicContact CE1-CB 4.27Å; Y52-I62 HydrophobicContact CE1-CG2 3.82Å; Y52-I62 PolarHBondContact OH-N 3.3Å; Y52-I62 VanDerWaalsContact OH-N 3.16Å
53	A	97.2	Very high	96.7	Very high	14 Å²	14	57.1 Å²	57.1	12%	0.116	34%	0.341	C	S	.	.			trans	-66.3	144.1	166.4	0	0	0	0	0	109.8	W39 V40 T55 V56 R57	W39-A53 HydrophobicContact CE3-CB 3.96Å; W39-A53 HydrophobicContact CZ3-CB 3.95Å; W39-A53 VanDerWaalsContact CZ3-N 3.26Å; W39-A53 WeakPolarHBondContact O-CB 3.17Å; V40-A53 PolarHBondContact O-N 3.04Å; A53-T55 PolarHBondContact O-N 3.02Å; A53-T55 VanDerWaalsContact O-N 3.16Å; A53-V56 HydrophobicContact CB-CG2 4.2Å; A53-V56 VanDerWaalsContact O-CG2 3.31Å; A53-V56 WeakPolarHBondContact O-CG2 3.26Å; A53-V56 PolarHBondContact O-N 3.32Å; A53-R57 PolarHBondContact O-N 2.86Å
54	D	96.1	Very high	96.6	Very high	126 Å²	126	58.3 Å²	58.3	67%	0.674	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-27	-175.2	-66.1	-35	0	0	0	112.8	V56 R57	D54-V56 PolarHBondContact O-N 2.92Å; D54-R57 IonicContact OD1-CZ 3.84Å; D54-R57 IonicContact OD1-NE 3.8Å; D54-R57 PolarHBondContact OD1-NE 3.33Å; D54-R57 IonicContact OD1-NH2 2.94Å; D54-R57 PolarHBondContact OD1-NH2 3.02Å
55	T	93.6	Very high	96.6	Very high	90 Å²	90	59.9 Å²	59.9	55%	0.552	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.2	176.2	55.6	0	0	0	0	114	A53 R59	A53-T55 PolarHBondContact O-N 3.02Å; A53-T55 VanDerWaalsContact O-N 3.16Å; T55-R59 PolarHBondContact O-NH2 2.96Å
56	V	95.6	Very high	96.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-4.5	-176.4	-57.4	0	0	0	0	113.3	V40 A53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG1 4.42Å; V40-V56 HydrophobicContact CG1-CG2 4.03Å; A53-V56 HydrophobicContact CB-CG2 4.2Å; A53-V56 VanDerWaalsContact O-CG2 3.31Å; A53-V56 WeakPolarHBondContact O-CG2 3.26Å; A53-V56 PolarHBondContact O-N 3.32Å; D54-V56 PolarHBondContact O-N 2.92Å; V56-G58 PolarHBondContact O-N 3.01Å; V56-R59 PolarHBondContact O-N 2.87Å; V56-F60 HydrophobicContact CB-CB 4.06Å; V56-F60 HydrophobicContact CB-CD1 4.26Å; V56-F60 HydrophobicContact CB-CD2 3.59Å; V56-F60 HydrophobicContact CB-CE2 3.99Å; V56-F60 HydrophobicContact CB-CG 3.72Å; V56-F60 HydrophobicContact CB-CZ 4.45Å; V56-F60 HydrophobicContact CG1-CD2 3.61Å; V56-F60 HydrophobicContact CG1-CE1 4.49Å; V56-F60 HydrophobicContact CG1-CE2 3.49Å; V56-F60 VanDerWaalsContact CG1-CE2 3.49Å; V56-F60 HydrophobicContact CG1-CG 4.18Å; V56-F60 HydrophobicContact CG1-CZ 3.93Å; V56-F60 HydrophobicContact CG2-CB 4.27Å; V56-F60 HydrophobicContact CG2-CD2 4.09Å; V56-F60 HydrophobicContact CG2-CG 4.35Å; V56-F60 PolarHBondContact O-N 2.79Å
57	R	95.1	Very high	96.7	Very high	156 Å²	156	62.4 Å²	62.4	59%	0.589	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	130.8	-179.6	-172.6	-176.9	-65.5	-93.9	2	110.4	A53 D54 R59	A53-R57 PolarHBondContact O-N 2.86Å; D54-R57 IonicContact OD1-CZ 3.84Å; D54-R57 IonicContact OD1-NE 3.8Å; D54-R57 PolarHBondContact OD1-NE 3.33Å; D54-R57 IonicContact OD1-NH2 2.94Å; D54-R57 PolarHBondContact OD1-NH2 3.02Å; R57-R59 PolarHBondContact O-N 3.25Å
58	G	95.3	Very high	96.8	Very high	78 Å²	78	66.7 Å²	66.7	80%	0.804	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-6	-178.4	0	0	0	0	0	115.3	V56	V56-G58 PolarHBondContact O-N 3.01Å
59	R	96.5	Very high	96.8	Very high	22 Å²	22	64.7 Å²	64.7	8%	0.083	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-36.2	176.6	-58.7	-170	-58.5	115.4	0.2	112.3	T55 V56 R57 T76 S77 D82	T55-R59 PolarHBondContact O-NH2 2.96Å; V56-R59 PolarHBondContact O-N 2.87Å; R57-R59 PolarHBondContact O-N 3.25Å; R59-T76 PolarHBondContact O-N 2.8Å; R59-T76 PolarHBondContact O-OG1 3.43Å; R59-S77 PolarHBondContact NH1-O 2.93Å; R59-D82 IonicContact CZ-OD1 3.42Å; R59-D82 IonicContact CZ-OD2 3.1Å; R59-D82 IonicContact NH1-OD1 2.67Å; R59-D82 IonicContact NH1-OD2 3.32Å; R59-D82 PolarHBondContact NH1-OD2 3.11Å; R59-D82 IonicContact NH2-OD1 3.27Å; R59-D82 PolarHBondContact NH2-OD1 2.87Å; R59-D82 IonicContact NH2-OD2 2.95Å; R59-D82 PolarHBondContact NH2-OD2 3.36Å
60	F	97.4	Very high	96.9	Very high	3 Å²	3	63.1 Å²	63.1	1%	0.013	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	143	-177.6	-66.2	11.7	0	0	0	110.3	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD2 3.83Å; V40-F60 HydrophobicContact CG1-CE2 4.26Å; Y52-F60 WeakPolarHBondContact CE1-O 3.49Å; V56-F60 HydrophobicContact CB-CB 4.06Å; V56-F60 HydrophobicContact CB-CD1 4.26Å; V56-F60 HydrophobicContact CB-CD2 3.59Å; V56-F60 HydrophobicContact CB-CE2 3.99Å; V56-F60 HydrophobicContact CB-CG 3.72Å; V56-F60 HydrophobicContact CB-CZ 4.45Å; V56-F60 HydrophobicContact CG1-CD2 3.61Å; V56-F60 HydrophobicContact CG1-CE1 4.49Å; V56-F60 HydrophobicContact CG1-CE2 3.49Å; V56-F60 VanDerWaalsContact CG1-CE2 3.49Å; V56-F60 HydrophobicContact CG1-CG 4.18Å; V56-F60 HydrophobicContact CG1-CZ 3.93Å; V56-F60 HydrophobicContact CG2-CB 4.27Å; V56-F60 HydrophobicContact CG2-CD2 4.09Å; V56-F60 HydrophobicContact CG2-CG 4.35Å; V56-F60 PolarHBondContact O-N 2.79Å; F60-L73 HydrophobicContact CB-CD1 4.22Å; F60-L73 HydrophobicContact CD2-CD2 4.08Å; F60-L73 HydrophobicContact CD2-CG 4.45Å; F60-Q74 CarbonylContact C-O 3.59Å; F60-Q74 VanDerWaalsContact CA-O 3.26Å; F60-Q74 WeakPolarHBondContact CA-O 3.32Å; F60-M75 HydrophobicContact CD1-CB 3.8Å; F60-M75 HydrophobicContact CD1-CG 4Å; F60-M75 HydrophobicContact CD2-CG 3.98Å; F60-M75 HydrophobicContact CE1-CB 3.74Å; F60-M75 HydrophobicContact CE1-CE 4.34Å; F60-M75 HydrophobicContact CE1-CG 4.04Å; F60-M75 HydrophobicContact CE2-CE 3.78Å; F60-M75 HydrophobicContact CE2-CG 3.99Å; F60-M75 HydrophobicContact CG-CB 4.31Å; F60-M75 HydrophobicContact CG-CG 4.01Å; F60-M75 HydrophobicContact CZ-CB 4.17Å; F60-M75 HydrophobicContact CZ-CE 3.62Å; F60-M75 HydrophobicContact CZ-CG 4.05Å; F60-L78 HydrophobicContact CE1-CD2 4.13Å; F60-L78 HydrophobicContact CZ-CD2 4.19Å; F60-D82 HydrophobicContact CZ-CB 4.1Å; F60-Y86 HydrophobicContact CE2-CE1 4.26Å
61	T	98.1	Very high	96.9	Very high	76 Å²	76	59.9 Å²	59.9	47%	0.466	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	117.3	177.7	-54.5	0	0	0	0	109	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.31Å; T61-Q74 PolarHBondContact N-O 2.77Å; T61-Q74 PolarHBondContact O-N 3.23Å
62	I	98.4	Very high	96.9	Very high	3 Å²	3	55 Å²	55	2%	0.015	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	138.8	174	-170.5	172.8	0	0	0	109.3	A41 I43 I50 Y52 L71 L73	A41-I62 HydrophobicContact CB-CB 4.04Å; A41-I62 HydrophobicContact CB-CD1 4Å; A41-I62 HydrophobicContact CB-CG2 4.16Å; I43-I62 HydrophobicContact CB-CD1 3.94Å; I43-I62 HydrophobicContact CB-CG1 4.21Å; I43-I62 HydrophobicContact CB-CG2 4.1Å; I43-I62 HydrophobicContact CG2-CD1 3.57Å; I43-I62 HydrophobicContact CG2-CG1 3.9Å; I50-I62 HydrophobicContact CG2-CG2 3.52Å; Y52-I62 HydrophobicContact CE1-CB 4.27Å; Y52-I62 HydrophobicContact CE1-CG2 3.82Å; Y52-I62 PolarHBondContact OH-N 3.3Å; Y52-I62 VanDerWaalsContact OH-N 3.16Å; I62-L71 HydrophobicContact CD1-CD1 4.1Å; I62-L71 HydrophobicContact CG1-CD1 4.05Å; I62-L73 HydrophobicContact CB-CD1 4.22Å
63	S	98.2	Very high	96.9	Very high	46 Å²	46	52.9 Å²	52.9	32%	0.322	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	164.4	172.6	62.8	0	0	0	0	110.9	F72	S63-F72 PolarHBondContact N-O 2.84Å; S63-F72 PolarHBondContact O-N 3.06Å
64	R	97.8	Very high	96.9	Very high	28 Å²	28	55.2 Å²	55.2	11%	0.106	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.3	-176.9	64.9	-176.9	-68	155.9	0.8	111.2	F21 Y24 I43 S44 S45 S47 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.15Å; F21-R64 HydrophobicContact CZ-CB 4.16Å; F21-R64 PolarHBondContact O-NH2 2.01Å; Y24-R64 PolarHBondContact O-NH1 3Å; I43-R64 HydrophobicContact CD1-CB 4.48Å; I43-R64 HydrophobicContact CD1-CG 3.91Å; I43-R64 HydrophobicContact CG1-CG 4.47Å; S44-R64 PolarHBondContact O-NH1 2.94Å; S44-R64 VanDerWaalsContact O-NH1 3.08Å; S45-R64 PolarHBondContact O-NE 2.79Å; S47-R64 WeakPolarHBondContact OG-CD 3.28Å; S47-R64 WeakPolarHBondContact OG-CG 3.49Å; R64-N66 PolarHBondContact NE-OD1 3.35Å; R64-N66 PolarHBondContact NH2-OD1 3.06Å; R64-T70 WeakPolarHBondContact CA-O 3.13Å; R64-L71 HydrophobicContact CB-CD1 4.12Å
65	D	97.1	Very high	96.9	Very high	43 Å²	43	49.4 Å²	49.4	23%	0.23	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	108.3	170.3	-176	-24.5	0	0	0	108.2	A67 K68 N69 T70 F72	D65-A67 WeakPolarHBondContact OD1-CB 3.3Å; D65-A67 PolarHBondContact OD1-N 3.17Å; D65-K68 HydrophobicContact CB-CB 4.19Å; D65-K68 PolarHBondContact O-N 2.85Å; D65-K68 PolarHBondContact OD1-N 3.32Å; D65-K68 VanDerWaalsContact OD1-N 3.08Å; D65-K68 WeakPolarHBondContact OD2-CD 3.02Å; D65-K68 VanDerWaalsContact OD2-CE 3.25Å; D65-K68 WeakPolarHBondContact OD2-CE 3.01Å; D65-K68 WeakPolarHBondContact OD2-CG 3.4Å; D65-K68 IonicContact OD2-NZ 3.55Å; D65-N69 PolarHBondContact O-N 3.16Å; D65-T70 PolarHBondContact N-O 3.36Å; D65-T70 PolarHBondContact O-N 2.86Å; D65-F72 HydrophobicContact CB-CE2 3.94Å
66	N	96.3	Very high	97	Very high	62 Å²	62	47.4 Å²	47.4	33%	0.332	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-30.5	-177.9	-73.5	-14.4	0	0	0	112.5	F21 S45 R64 K68 N69	F21-N66 WeakPolarHBondContact CE1-OD1 3.29Å; S45-N66 PolarHBondContact O-ND2 3.33Å; R64-N66 PolarHBondContact NE-OD1 3.35Å; R64-N66 PolarHBondContact NH2-OD1 3.06Å; N66-K68 VanDerWaalsContact C-N 3.27Å; N66-K68 PolarHBondContact O-N 2.83Å; N66-N69 PolarHBondContact O-N 3.31Å; N66-N69 PolarHBondContact O-OD1 2.77Å
67	A	95.6	Very high	96.9	Very high	97 Å²	97	50.6 Å²	50.6	80%	0.802	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-30.3	177.5	0	0	0	0	0	111.3	D65	D65-A67 WeakPolarHBondContact OD1-CB 3.3Å; D65-A67 PolarHBondContact OD1-N 3.17Å
68	K	96.6	Very high	96.8	Very high	143 Å²	143	44 Å²	44	62%	0.622	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	2.6	178.5	-60.5	-177.3	-167.5	162.8	0	114.2	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.19Å; D65-K68 PolarHBondContact O-N 2.85Å; D65-K68 PolarHBondContact OD1-N 3.32Å; D65-K68 VanDerWaalsContact OD1-N 3.08Å; D65-K68 WeakPolarHBondContact OD2-CD 3.02Å; D65-K68 VanDerWaalsContact OD2-CE 3.25Å; D65-K68 WeakPolarHBondContact OD2-CE 3.01Å; D65-K68 WeakPolarHBondContact OD2-CG 3.4Å; D65-K68 IonicContact OD2-NZ 3.55Å; N66-K68 VanDerWaalsContact C-N 3.27Å; N66-K68 PolarHBondContact O-N 2.83Å; K68-T70 PolarHBondContact O-N 2.87Å; K68-T70 VanDerWaalsContact O-N 3.08Å; K68-T70 PolarHBondContact O-OG1 3.06Å
69	N	97.1	Very high	96.7	Very high	66 Å²	66	47 Å²	47	35%	0.353	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	38.2	-173.1	-60.3	-36.3	0	0	0	112.8	A16 F21 D65 N66	A16-N69 PolarHBondContact N-O 2.83Å; F21-N69 HydrophobicContact CB-CB 3.91Å; F21-N69 WeakPolarHBondContact CB-OD1 3.39Å; F21-N69 HydrophobicContact CG-CB 4.18Å; D65-N69 PolarHBondContact O-N 3.16Å; N66-N69 PolarHBondContact O-N 3.31Å; N66-N69 PolarHBondContact O-OD1 2.77Å
70	T	97.9	Very high	96.4	Very high	18 Å²	18	49.8 Å²	49.8	11%	0.11	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.7	-170	-58.1	0	0	0	0	111.4	C14 R64 D65 K68 F72	C14-T70 CarbonylContact O-C 3.5Å; C14-T70 WeakPolarHBondContact O-CA 3.26Å; R64-T70 WeakPolarHBondContact CA-O 3.13Å; D65-T70 PolarHBondContact N-O 3.36Å; D65-T70 PolarHBondContact O-N 2.86Å; K68-T70 PolarHBondContact O-N 2.87Å; K68-T70 VanDerWaalsContact O-N 3.08Å; K68-T70 PolarHBondContact O-OG1 3.06Å; T70-F72 HydrophobicContact CG2-CD1 4.17Å; T70-F72 HydrophobicContact CG2-CD2 4.4Å; T70-F72 HydrophobicContact CG2-CE1 3.54Å; T70-F72 HydrophobicContact CG2-CE2 3.79Å; T70-F72 HydrophobicContact CG2-CZ 3.32Å
71	L	98.3	Very high	96	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	140.1	171	-170.2	71	0	0	0	110	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.59Å; S13-L71 VanDerWaalsContact CA-O 3.32Å; S13-L71 WeakPolarHBondContact CA-O 3.35Å; C14-L71 HydrophobicContact CB-CB 4.38Å; C14-L71 PolarHBondContact N-O 3.17Å; C14-L71 PolarHBondContact O-N 3.32Å; F21-L71 HydrophobicContact CE2-CB 4.36Å; F21-L71 HydrophobicContact CZ-CB 4.23Å; 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 4.35Å; W28-L71 HydrophobicContact CD2-CD2 4.32Å; W28-L71 HydrophobicContact CG-CD2 4.26Å; W28-L71 HydrophobicContact CZ2-CD2 4.37Å; W28-L71 HydrophobicContact CZ2-CG 4.48Å; W28-L71 VanDerWaalsContact NE1-CD2 3.29Å; I43-L71 HydrophobicContact CG2-CD1 3.62Å; I62-L71 HydrophobicContact CD1-CD1 4.1Å; I62-L71 HydrophobicContact CG1-CD1 4.05Å; R64-L71 HydrophobicContact CB-CD1 4.12Å; L71-C88 HydrophobicContact CD2-CB 3.96Å
72	F	98.3	Very high	95.8	Very high	39 Å²	39	52.1 Å²	52.1	17%	0.171	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.5	177.9	-57.1	-79.4	0	0	0	111.4	L12 W28 S63 D65 T70	L12-F72 VanDerWaalsContact O-CA 3.24Å; L12-F72 WeakPolarHBondContact O-CA 3.44Å; W28-F72 PolarHBondContact NE1-O 2.82Å; S63-F72 PolarHBondContact N-O 2.84Å; S63-F72 PolarHBondContact O-N 3.06Å; D65-F72 HydrophobicContact CB-CE2 3.94Å; T70-F72 HydrophobicContact CG2-CD1 4.17Å; T70-F72 HydrophobicContact CG2-CD2 4.4Å; T70-F72 HydrophobicContact CG2-CE1 3.54Å; T70-F72 HydrophobicContact CG2-CE2 3.79Å; T70-F72 HydrophobicContact CG2-CZ 3.32Å
73	L	98.3	Very high	95.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	107.8	166.9	-168.4	65.2	0	0	0	108.3	K11 L12 W28 V40 F60 I62 M75 Y86	K11-L73 WeakPolarHBondContact CA-O 3.33Å; L12-L73 HydrophobicContact CB-CB 4.24Å; L12-L73 HydrophobicContact CD1-CD2 4.45Å; L12-L73 PolarHBondContact N-O 2.83Å; L12-L73 PolarHBondContact O-N 2.95Å; W28-L73 HydrophobicContact CB-CD2 4.28Å; W28-L73 HydrophobicContact CD2-CB 4.09Å; W28-L73 HydrophobicContact CD2-CD2 4.17Å; W28-L73 HydrophobicContact CG-CB 4.21Å; W28-L73 HydrophobicContact CG-CD1 4.31Å; W28-L73 HydrophobicContact CG-CD2 4.01Å; W28-L73 HydrophobicContact CG-CG 4.42Å; W28-L73 HydrophobicContact CZ2-CB 4.14Å; V40-L73 HydrophobicContact CG1-CD2 4.2Å; F60-L73 HydrophobicContact CB-CD1 4.22Å; F60-L73 HydrophobicContact CD2-CD2 4.08Å; F60-L73 HydrophobicContact CD2-CG 4.45Å; I62-L73 HydrophobicContact CB-CD1 4.22Å; L73-M75 HydrophobicContact CD2-CG 3.95Å; L73-M75 HydrophobicContact CD2-SD 4.04Å; L73-M75 HydrophobicContact CG-CG 3.86Å; L73-M75 HydrophobicContact CG-SD 4.44Å; L73-Y86 HydrophobicContact CD2-CD1 4.07Å; L73-Y86 HydrophobicContact CD2-CE1 4.2Å
74	Q	97.7	Very high	95.3	Very high	63 Å²	63	55.8 Å²	55.8	29%	0.294	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.7	167.3	-175.3	65.5	42.1	0	0	107.9	F60 T61 T76	F60-Q74 CarbonylContact C-O 3.59Å; F60-Q74 VanDerWaalsContact CA-O 3.26Å; F60-Q74 WeakPolarHBondContact CA-O 3.32Å; T61-Q74 PolarHBondContact N-O 2.77Å; T61-Q74 PolarHBondContact O-N 3.23Å; Q74-T76 HydrophobicContact CG-CG2 4.28Å
75	M	96.4	Very high	95.2	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.02	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118.2	-180	-56.6	160.1	68.7	0	0	107.3	S9 L10 L12 F60 L73 L78 Y86	S9-M75 CarbonylContact C-O 3.48Å; S9-M75 WeakPolarHBondContact CA-O 2.98Å; S9-M75 WeakPolarHBondContact CB-O 3.44Å; L10-M75 PolarHBondContact N-O 3.1Å; L10-M75 PolarHBondContact O-N 2.75Å; L12-M75 HydrophobicContact CD1-SD 3.63Å; L12-M75 HydrophobicContact CG-SD 3.81Å; F60-M75 HydrophobicContact CD1-CB 3.8Å; F60-M75 HydrophobicContact CD1-CG 4Å; F60-M75 HydrophobicContact CD2-CG 3.98Å; F60-M75 HydrophobicContact CE1-CB 3.74Å; F60-M75 HydrophobicContact CE1-CE 4.34Å; F60-M75 HydrophobicContact CE1-CG 4.04Å; F60-M75 HydrophobicContact CE2-CE 3.78Å; F60-M75 HydrophobicContact CE2-CG 3.99Å; F60-M75 HydrophobicContact CG-CB 4.31Å; F60-M75 HydrophobicContact CG-CG 4.01Å; F60-M75 HydrophobicContact CZ-CB 4.17Å; F60-M75 HydrophobicContact CZ-CE 3.62Å; F60-M75 HydrophobicContact CZ-CG 4.05Å; L73-M75 HydrophobicContact CD2-CG 3.95Å; L73-M75 HydrophobicContact CD2-SD 4.04Å; L73-M75 HydrophobicContact CG-CG 3.86Å; L73-M75 HydrophobicContact CG-SD 4.44Å; M75-L78 HydrophobicContact CB-CD2 3.78Å; M75-L78 HydrophobicContact CB-CG 4.35Å; M75-L78 HydrophobicContact CE-CD2 3.48Å; M75-L78 VanDerWaalsContact CE-CD2 3.48Å; M75-Y86 HydrophobicContact CE-CE1 3.93Å; M75-Y86 HydrophobicContact CE-CE2 3.88Å; M75-Y86 WeakPolarHBondContact CE-OH 3.45Å
76	T	95.3	Very high	95.2	Very high	48 Å²	48	60.3 Å²	60.3	29%	0.294	33%	0.327	S	S	.	.			trans	-114.1	160.5	175.2	66.7	0	0	0	0	110.3	R59 Q74 L78	R59-T76 PolarHBondContact O-N 2.8Å; R59-T76 PolarHBondContact O-OG1 3.43Å; Q74-T76 HydrophobicContact CG-CG2 4.28Å; T76-L78 VanDerWaalsContact C-N 3.29Å; T76-L78 PolarHBondContact O-N 3.08Å
77	S	93.4	Very high	95.2	Very high	67 Å²	67	62 Å²	62	47%	0.469	33%	0.329	S	S	.	.	S	Bend	trans	49.2	51.6	179.2	-56.7	0	0	0	0	112	G8 R59	G8-S77 PolarHBondContact O-N 2.85Å; R59-S77 PolarHBondContact NH1-O 2.93Å
78	L	93.9	Very high	95.2	Very high	19 Å²	19	59.7 Å²	59.7	10%	0.099	31%	0.306	C	S	.	.			trans	-60.6	138.2	-178.2	-76.3	169.6	0	0	0	111.6	V4 G7 G8 L10 F60 M75 T76 D82	V4-L78 HydrophobicContact CB-CD1 4.07Å; V4-L78 HydrophobicContact CG1-CD1 4.06Å; G7-L78 PolarHBondContact N-O 2.8Å; G8-L78 PolarHBondContact O-N 2.76Å; G8-L78 VanDerWaalsContact O-N 3.11Å; L10-L78 HydrophobicContact CB-CD1 3.85Å; F60-L78 HydrophobicContact CE1-CD2 4.13Å; F60-L78 HydrophobicContact CZ-CD2 4.19Å; M75-L78 HydrophobicContact CB-CD2 3.78Å; M75-L78 HydrophobicContact CB-CG 4.35Å; M75-L78 HydrophobicContact CE-CD2 3.48Å; M75-L78 VanDerWaalsContact CE-CD2 3.48Å; T76-L78 VanDerWaalsContact C-N 3.29Å; T76-L78 PolarHBondContact O-N 3.08Å; L78-D82 HydrophobicContact CD2-CB 4.02Å
79	R	92.7	Very high	95.2	Very high	139 Å²	139	54.8 Å²	54.8	53%	0.525	29%	0.293	S	S	.	.			trans	-116	166	177.1	-52.9	177.1	-179.6	172.7	-2	110.3	E81 D82	R79-E81 WeakPolarHBondContact CB-OE2 3.44Å; R79-E81 PolarHBondContact O-N 2.96Å; R79-D82 PolarHBondContact N-OD2 3.47Å; R79-D82 WeakPolarHBondContact O-CB 3.32Å; R79-D82 PolarHBondContact O-N 3.48Å
80	S	89.3	Confident	95.1	Very high	82 Å²	82	57.6 Å²	57.6	57%	0.573	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-56.1	-35.1	174.4	28	0	0	0	0	112.4	D82 T83	S80-D82 PolarHBondContact O-N 3.23Å; S80-T83 WeakPolarHBondContact O-CB 3.43Å; S80-T83 PolarHBondContact O-N 3.45Å; S80-T83 PolarHBondContact O-OG1 2.99Å
81	E	90.3	Very high	94.4	Very high	120 Å²	120	63.7 Å²	63.7	56%	0.561	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-72	-11.3	-179.5	-49.7	73	-125.3	0	0	112.9	R79 T83	R79-E81 WeakPolarHBondContact CB-OE2 3.44Å; R79-E81 PolarHBondContact O-N 2.96Å; E81-T83 VanDerWaalsContact C-N 3.33Å
82	D	92.6	Very high	93.2	Very high	7 Å²	7	69.7 Å²	69.7	4%	0.037	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-87.4	-4.8	176.2	-58.2	-47.7	0	0	0	112.8	R30 R59 F60 L78 R79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 3.49Å; R30-D82 PolarHBondContact NH1-OD1 2.78Å; R30-D82 VanDerWaalsContact NH1-OD1 3.07Å; R59-D82 IonicContact CZ-OD1 3.42Å; R59-D82 IonicContact CZ-OD2 3.1Å; R59-D82 IonicContact NH1-OD1 2.67Å; R59-D82 IonicContact NH1-OD2 3.32Å; R59-D82 PolarHBondContact NH1-OD2 3.11Å; R59-D82 IonicContact NH2-OD1 3.27Å; R59-D82 PolarHBondContact NH2-OD1 2.87Å; R59-D82 IonicContact NH2-OD2 2.95Å; R59-D82 PolarHBondContact NH2-OD2 3.36Å; F60-D82 HydrophobicContact CZ-CB 4.1Å; L78-D82 HydrophobicContact CD2-CB 4.02Å; R79-D82 PolarHBondContact N-OD2 3.47Å; R79-D82 WeakPolarHBondContact O-CB 3.32Å; R79-D82 PolarHBondContact O-N 3.48Å; S80-D82 PolarHBondContact O-N 3.23Å; D82-A84 PolarHBondContact O-N 3.08Å; D82-A84 VanDerWaalsContact O-N 3.1Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.24Å; D82-Y86 PolarHBondContact O-OH 3.06Å
83	T	92.5	Very high	93	Very high	104 Å²	104	71.3 Å²	71.3	64%	0.638	39%	0.392	S	S	*	.			trans	-69.3	104.9	175.5	-59.9	0	0	0	0	110.2	S80 E81	S80-T83 WeakPolarHBondContact O-CB 3.43Å; S80-T83 PolarHBondContact O-N 3.45Å; S80-T83 PolarHBondContact O-OG1 2.99Å; E81-T83 VanDerWaalsContact C-N 3.33Å
84	A	94.1	Very high	92.7	Very high	23 Å²	23	75 Å²	75	19%	0.19	41%	0.412	C	S	.	.	S	Bend	trans	-158.4	166.1	-178.3	0	0	0	0	0	109.9	R30 Q31 A32 D82 Y86	R30-A84 HydrophobicContact CB-CB 3.89Å; R30-A84 HydrophobicContact CG-CB 4.17Å; Q31-A84 WeakPolarHBondContact O-CA 3.44Å; Q31-A84 WeakPolarHBondContact O-CB 3.43Å; A32-A84 HydrophobicContact CB-CB 4.35Å; D82-A84 PolarHBondContact O-N 3.08Å; D82-A84 VanDerWaalsContact O-N 3.1Å; A84-Y86 HydrophobicContact CB-CD2 4.47Å; A84-Y86 HydrophobicContact CB-CE2 3.95Å; A84-Y86 VanDerWaalsContact O-CD2 3.22Å; A84-Y86 WeakPolarHBondContact O-CD2 3.22Å; A84-Y86 WeakPolarHBondContact O-CE2 3.21Å
85	M	95.3	Very high	92.4	Very high	124 Å²	124	75.7 Å²	75.7	61%	0.611	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	132.7	162.8	-66.4	-63.1	-83.4	0	0	108.9	R30 Q31 Y87	R30-M85 CarbonylContact C-O 3.54Å; R30-M85 WeakPolarHBondContact CA-O 3.41Å; Q31-M85 PolarHBondContact N-O 2.8Å; Q31-M85 PolarHBondContact O-N 3.1Å; M85-Y87 HydrophobicContact CB-CE2 3.71Å; M85-Y87 WeakPolarHBondContact CB-OH 3.39Å
86	Y	96.6	Very high	92.2	Very high	42 Å²	42	79.9 Å²	79.9	17%	0.165	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133.7	-178.5	-74.1	-101.8	0	0	0	110.4	L12 V29 R30 V40 F60 L73 M75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.01Å; L12-Y86 HydrophobicContact CD1-CD2 4.08Å; L12-Y86 HydrophobicContact CD1-CG 3.62Å; V29-Y86 WeakPolarHBondContact O-CA 3.31Å; R30-Y86 HydrophobicContact CB-CD1 3.78Å; R30-Y86 HydrophobicContact CB-CD2 4.42Å; R30-Y86 HydrophobicContact CB-CE1 3.7Å; R30-Y86 HydrophobicContact CB-CE2 4.34Å; R30-Y86 HydrophobicContact CB-CG 4.14Å; R30-Y86 WeakPolarHBondContact CD-OH 3.31Å; R30-Y86 HydrophobicContact CG-CE1 4.37Å; R30-Y86 PolarHBondContact NH1-OH 2.89Å; V40-Y86 HydrophobicContact CG2-CE1 4.22Å; F60-Y86 HydrophobicContact CE2-CE1 4.26Å; L73-Y86 HydrophobicContact CD2-CD1 4.07Å; L73-Y86 HydrophobicContact CD2-CE1 4.2Å; M75-Y86 HydrophobicContact CE-CE1 3.93Å; M75-Y86 HydrophobicContact CE-CE2 3.88Å; M75-Y86 WeakPolarHBondContact CE-OH 3.45Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.24Å; D82-Y86 PolarHBondContact O-OH 3.06Å; A84-Y86 HydrophobicContact CB-CD2 4.47Å; A84-Y86 HydrophobicContact CB-CE2 3.95Å; A84-Y86 VanDerWaalsContact O-CD2 3.22Å; A84-Y86 WeakPolarHBondContact O-CD2 3.22Å; A84-Y86 WeakPolarHBondContact O-CE2 3.21Å
87	Y	96.4	Very high	92	Very high	98 Å²	98	81.9 Å²	81.9	38%	0.384	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.6	-177.5	-54.9	-83	0	0	0	109.9	W28 V29 Q31 L37 M85	W28-Y87 WeakPolarHBondContact CA-O 3.39Å; V29-Y87 PolarHBondContact N-O 3.06Å; V29-Y87 PolarHBondContact O-N 3.01Å; Q31-Y87 HydrophobicContact CB-CE2 3.98Å; L37-Y87 HydrophobicContact CD2-CD2 4.23Å; L37-Y87 HydrophobicContact CD2-CE2 4.49Å; M85-Y87 HydrophobicContact CB-CE2 3.71Å; M85-Y87 WeakPolarHBondContact CB-OH 3.39Å
88	C	95.9	Very high	91.9	Very high	47 Å²	47	82.9 Å²	82.9	32%	0.318	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	142.7	165.9	51.5	0	0	0	0	109.4	C14 H27 W28 L71	C14-C88 HydrophobicContact CB-CB 3.49Å; C14-C88 VanDerWaalsContact CB-CB 3.49Å; C14-C88 WeakPolarHBondContact CB-SG 3.13Å; C14-C88 WeakPolarHBondContact SG-CB 3.25Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.77Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 VanDerWaalsContact O-CA 3.3Å; H27-C88 WeakPolarHBondContact O-CA 3.41Å; W28-C88 HydrophobicContact CZ3-CB 4.46Å; L71-C88 HydrophobicContact CD2-CB 3.96Å
89	A	96.2	Very high	91.8	Very high	40 Å²	40	87.4 Å²	87.4	33%	0.331	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.4	176.1	0	0	0	0	0	110.2	H27	H27-A89 HydrophobicContact CB-CB 4.43Å; H27-A89 PolarHBondContact N-O 3Å; H27-A89 PolarHBondContact O-N 3.44Å
90	R	94.8	Very high	91.7	Very high	125 Å²	125	83.5 Å²	83.5	47%	0.472	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	148.7	168.7	78.8	175.5	-179.4	-145.2	-0.3	109.9	F19 M26	F19-R90 HydrophobicContact CE2-CB 4.22Å; F19-R90 HydrophobicContact CZ-CB 4.2Å; M26-R90 HydrophobicContact CE-CB 4.11Å; M26-R90 HydrophobicContact SD-CB 3.8Å
91	R	84.9	Confident	91.9	Very high	147 Å²	147	83.6 Å²	83.6	56%	0.555	46%	0.463	S	S	*	.			trans	-64.4	132.4	165.7	-171.1	174.8	175.8	178.3	-1.7	108.5	Y24 G25	Y24-R91 VanDerWaalsContact CD1-O 3.28Å; Y24-R91 WeakPolarHBondContact CD1-O 3.35Å; G25-R91 WeakPolarHBondContact O-CB 3.5Å; G25-R91 PolarHBondContact O-N 3.08Å
92	G	73.3	Confident	92.1	Very high	126 Å²	126	80.3 Å²	80.3	100%	1.299	45%	0.454	S	S	*	.			trans	-67.4	0	175.1	0	0	0	0	0	112.6

Retrieved 92 of 92 residues in 29.9 ms (Link to these results)

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