X5J5H3_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5H3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 91 aa.

						>X5J5H3_MOUSE|X5J5H3
GGLVKPGGSLKLSCAASGFTFSDYGMHWVRQAPEKGLEWVAYISSGSSTIYYPDTVKGRFTISRDNAKNTLFLQMTSLRSEDTAMYYCART
					

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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	59.9	Low	84.6	Confident	117 Å²	117	89.7 Å²	89.7	100%	1.206	58%	0.584	S	S	*	*				0	152.8	0	0	0	0	0	0	109
2	G	73.3	Confident	85.7	Confident	47 Å²	47	83.9 Å²	83.9	49%	0.485	54%	0.544	S	S	.	.			trans	-109	154.8	-179.5	0	0	0	0	0	112.3
3	L	79	Confident	86.7	Confident	184 Å²	184	84.1 Å²	84.1	96%	0.963	55%	0.549	S	S	*	.			trans	-75.7	126.3	170.8	-176.3	68.8	0	0	0	109.2
4	V	84.6	Confident	87.5	Confident	53 Å²	53	79.3 Å²	79.3	32%	0.321	52%	0.518	S	S	.	.			trans	-128.1	141.6	179.4	-174.6	0	0	0	0	108.9	L10 L78	V4-L10 HydrophobicContact CG2-CB 4.05Å; V4-L10 HydrophobicContact CG2-CD1 4Å; V4-L10 HydrophobicContact CG2-CD2 4.4Å; V4-L10 HydrophobicContact CG2-CG 4.37Å; V4-L78 HydrophobicContact CB-CD1 4.1Å; V4-L78 HydrophobicContact CG1-CD1 4.16Å
5	K	83.3	Confident	88.1	Confident	179 Å²	179	79.4 Å²	79.4	78%	0.778	53%	0.528	S	S	*	.			trans	-65.6	150.2	174.7	-66.1	-176.5	179.9	-179.1	0	110.5	G8	K5-G8 PolarHBondContact O-N 3Å
6	P	83.9	Confident	88.6	Confident	110 Å²	110	75.6 Å²	75.6	71%	0.714	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	142.3	171.1	-26.5	34.8	0	0	0	112	G8	P6-G8 PolarHBondContact O-N 2.98Å
7	G	87.8	Confident	89.1	Confident	54 Å²	54	77.4 Å²	77.4	56%	0.557	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-11.5	-173.6	0	0	0	0	0	114.7	L78	G7-L78 PolarHBondContact N-O 2.77Å
8	G	92.4	Very high	89.4	Confident	22 Å²	22	77.8 Å²	77.8	23%	0.227	54%	0.538	C	S	.	.			trans	-72.3	-179.6	176.8	0	0	0	0	0	113.7	K5 P6 S77 L78	K5-G8 PolarHBondContact O-N 3Å; P6-G8 PolarHBondContact O-N 2.98Å; G8-S77 PolarHBondContact O-N 3.46Å; G8-L78 PolarHBondContact O-N 3.47Å; G8-L78 VanDerWaalsContact O-N 3.1Å
9	S	94.9	Very high	89.7	Confident	67 Å²	67	76.3 Å²	76.3	47%	0.469	52%	0.521	S	S	.	.			trans	-124.6	145.9	177.3	-60.4	0	0	0	0	111	M75	S9-M75 CarbonylContact C-O 3.51Å; S9-M75 WeakPolarHBondContact CA-O 3.23Å; S9-M75 WeakPolarHBondContact CB-O 3.33Å
10	L	95.3	Very high	90	Very high	40 Å²	40	76.5 Å²	76.5	21%	0.209	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	145.2	176.8	-176.4	60.3	0	0	0	109.2	V4 L12 M75 L78	V4-L10 HydrophobicContact CG2-CB 4.05Å; V4-L10 HydrophobicContact CG2-CD1 4Å; V4-L10 HydrophobicContact CG2-CD2 4.4Å; V4-L10 HydrophobicContact CG2-CG 4.37Å; L10-L12 HydrophobicContact CD2-CD2 3.65Å; L10-L12 HydrophobicContact CD2-CG 4.45Å; L10-L12 HydrophobicContact CG-CD2 4.01Å; L10-M75 PolarHBondContact N-O 2.74Å; L10-M75 PolarHBondContact O-N 2.74Å; L10-L78 HydrophobicContact CB-CD1 3.88Å
11	K	96.7	Very high	90.4	Very high	114 Å²	114	72.9 Å²	72.9	50%	0.496	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.8	168	-170	175.2	179	178.4	0	109.3	F72 L73	K11-F72 VanDerWaalsContact CE-CD1 3.49Å; K11-L73 WeakPolarHBondContact CA-O 3.23Å
12	L	97.5	Very high	92.1	Very high	20 Å²	20	69.5 Å²	69.5	11%	0.105	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	148.6	170.6	-56.5	-178.5	0	0	0	109.9	L10 W28 F72 L73 M75 Y86	L10-L12 HydrophobicContact CD2-CD2 3.65Å; L10-L12 HydrophobicContact CD2-CG 4.45Å; L10-L12 HydrophobicContact CG-CD2 4.01Å; L12-W28 HydrophobicContact CB-CH2 3.76Å; L12-W28 HydrophobicContact CB-CZ2 4Å; L12-W28 HydrophobicContact CB-CZ3 4.39Å; L12-W28 HydrophobicContact CD1-CH2 4.38Å; L12-W28 HydrophobicContact CD1-CZ3 4.17Å; L12-F72 VanDerWaalsContact O-CA 3.25Å; L12-F72 WeakPolarHBondContact O-CA 3.34Å; L12-L73 HydrophobicContact CB-CB 4.26Å; L12-L73 HydrophobicContact CD1-CD2 4.47Å; L12-L73 PolarHBondContact N-O 2.94Å; L12-L73 PolarHBondContact O-N 2.91Å; L12-M75 HydrophobicContact CD1-SD 3.73Å; L12-M75 HydrophobicContact CG-SD 3.92Å; L12-Y86 HydrophobicContact CD1-CD1 3.92Å; L12-Y86 HydrophobicContact CD1-CD2 4.17Å; L12-Y86 HydrophobicContact CD1-CG 3.63Å
13	S	98	Very high	93.2	Very high	86 Å²	86	72.3 Å²	72.3	60%	0.601	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.1	170.9	56.6	0	0	0	0	110.2	L71	S13-L71 CarbonylContact C-O 3.57Å; S13-L71 VanDerWaalsContact CA-O 3.31Å; S13-L71 WeakPolarHBondContact CA-O 3.33Å
14	C	97.8	Very high	94.1	Very high	17 Å²	17	67.5 Å²	67.5	12%	0.115	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	112.2	171.1	162.1	0	0	0	0	108.6	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.93Å; C14-W28 HydrophobicContact CB-CZ2 4.05Å; C14-T70 CarbonylContact O-C 3.48Å; C14-T70 WeakPolarHBondContact O-CA 3.18Å; C14-L71 HydrophobicContact CB-CB 4.39Å; C14-L71 PolarHBondContact N-O 3.09Å; 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 3.28Å; C14-C88 WeakPolarHBondContact SG-CB 3.39Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.06Å
15	A	97.6	Very high	94.8	Very high	81 Å²	81	65.2 Å²	65.2	67%	0.669	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.3	172.3	0	0	0	0	0	109
16	A	96.1	Very high	95.5	Very high	18 Å²	18	56.9 Å²	56.9	15%	0.149	38%	0.377	C	S	.	.			trans	-98	145.1	180	0	0	0	0	0	111.3	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.78Å; A16-F19 HydrophobicContact CB-CE2 4.49Å; A16-F19 HydrophobicContact CB-CZ 3.61Å; A16-F21 HydrophobicContact CB-CD2 3.61Å; A16-F21 HydrophobicContact CB-CE2 4.2Å; A16-F21 HydrophobicContact CB-CG 4.49Å; A16-N69 PolarHBondContact N-O 2.79Å
17	S	95.9	Very high	96.2	Very high	106 Å²	106	53.5 Å²	53.5	74%	0.741	35%	0.352	S	S	*	.			trans	-143	161.6	174	62.2	0	0	0	0	110.1	F19	S17-F19 WeakPolarHBondContact O-CD1 3.1Å
18	G	95.6	Very high	96.7	Very high	85 Å²	85	51.3 Å²	51.3	88%	0.876	33%	0.326	S	S	*	.	S	Bend	trans	81.8	8.9	178.2	0	0	0	0	0	115.5
19	F	94.3	Very high	97	Very high	50 Å²	50	51.4 Å²	51.4	22%	0.219	32%	0.323	C	S	.	.	S	Bend	trans	-160.6	163.7	171.8	63.4	-80.1	0	0	0	111.9	A16 S17 F21 Y24 M26 R90	A16-F19 HydrophobicContact CB-CE1 3.78Å; A16-F19 HydrophobicContact CB-CE2 4.49Å; A16-F19 HydrophobicContact CB-CZ 3.61Å; S17-F19 WeakPolarHBondContact O-CD1 3.1Å; F19-F21 HydrophobicContact CE2-CB 4.34Å; F19-F21 HydrophobicContact CE2-CD2 4.26Å; F19-F21 HydrophobicContact CZ-CD2 4.35Å; F19-F21 PolarHBondContact O-N 2.89Å; F19-F21 VanDerWaalsContact O-N 3.09Å; F19-Y24 HydrophobicContact CB-CE2 4.46Å; F19-Y24 AromaticContact CD2-CD2 3.64Å; F19-Y24 HydrophobicContact CD2-CD2 3.64Å; F19-Y24 AromaticContact CD2-CE2 3.94Å; F19-Y24 HydrophobicContact CD2-CE2 3.94Å; F19-Y24 HydrophobicContact CD2-CG 4.46Å; F19-Y24 HydrophobicContact CE2-CD2 4.09Å; F19-M26 HydrophobicContact CE2-SD 4.31Å; F19-M26 HydrophobicContact CZ-CE 4.36Å; F19-M26 HydrophobicContact CZ-SD 4.46Å; F19-R90 HydrophobicContact CE2-CB 4.27Å; F19-R90 HydrophobicContact CZ-CB 4.31Å
20	T	96.4	Very high	97.1	Very high	79 Å²	79	49 Å²	49	49%	0.485	30%	0.303	S	S	.	.			trans	-74.4	94.7	173.2	-49.9	0	0	0	0	110	S22 D23 Y24	T20-S22 WeakPolarHBondContact CG2-OG 3.45Å; T20-S22 PolarHBondContact O-N 3.08Å; T20-D23 VanDerWaalsContact CB-OD2 3.23Å; T20-D23 WeakPolarHBondContact CB-OD2 3.48Å; T20-D23 HydrophobicContact CG2-CB 4.49Å; T20-D23 VanDerWaalsContact CG2-CG 3.47Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.29Å; T20-D23 VanDerWaalsContact CG2-OD2 3.23Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.41Å; T20-D23 PolarHBondContact O-N 3.37Å; T20-D23 VanDerWaalsContact O-N 3.09Å; T20-Y24 WeakPolarHBondContact O-CD2 2.97Å
21	F	97.2	Very high	97.1	Very high	1 Å²	1	51 Å²	51	0%	0.004	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-55.9	-34.6	-174.3	177.6	-97.2	0	0	0	113.9	A16 F19 D23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CD2 3.61Å; A16-F21 HydrophobicContact CB-CE2 4.2Å; A16-F21 HydrophobicContact CB-CG 4.49Å; F19-F21 HydrophobicContact CE2-CB 4.34Å; F19-F21 HydrophobicContact CE2-CD2 4.26Å; F19-F21 HydrophobicContact CZ-CD2 4.35Å; F19-F21 PolarHBondContact O-N 2.89Å; F19-F21 VanDerWaalsContact O-N 3.09Å; F21-D23 PolarHBondContact O-N 2.81Å; F21-Y24 PolarHBondContact O-N 2.8Å; F21-M26 HydrophobicContact CD2-CE 4.2Å; F21-M26 HydrophobicContact CD2-CG 4.29Å; F21-M26 HydrophobicContact CD2-SD 3.95Å; F21-M26 HydrophobicContact CE2-CE 3.77Å; F21-M26 HydrophobicContact CE2-CG 3.64Å; F21-M26 HydrophobicContact CE2-SD 3.76Å; F21-M26 HydrophobicContact CZ-CG 3.87Å; F21-R64 VanDerWaalsContact CD1-NH2 3.28Å; F21-R64 HydrophobicContact CE1-CB 4.11Å; F21-R64 VanDerWaalsContact CE1-NH2 3.28Å; F21-R64 HydrophobicContact CZ-CB 4.16Å; F21-R64 PolarHBondContact O-NH2 2.84Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.39Å; F21-N69 HydrophobicContact CB-CB 3.85Å; F21-N69 WeakPolarHBondContact CB-OD1 3.37Å; F21-N69 HydrophobicContact CG-CB 4.14Å; F21-L71 HydrophobicContact CE2-CB 4.33Å; F21-L71 HydrophobicContact CZ-CB 4.2Å
22	S	96.8	Very high	97	Very high	46 Å²	46	46.5 Å²	46.5	32%	0.322	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-62.4	-23.8	179.3	52	0	0	0	0	114	T20 Y24 S45	T20-S22 WeakPolarHBondContact CG2-OG 3.45Å; T20-S22 PolarHBondContact O-N 3.08Å; S22-Y24 VanDerWaalsContact C-N 3.33Å; S22-S45 WeakPolarHBondContact O-CB 3.28Å
23	D	97.1	Very high	96.7	Very high	106 Å²	106	52 Å²	52	57%	0.567	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-83.6	-16	-171.6	-59.6	-7.1	0	0	0	112.1	T20 F21	T20-D23 VanDerWaalsContact CB-OD2 3.23Å; T20-D23 WeakPolarHBondContact CB-OD2 3.48Å; T20-D23 HydrophobicContact CG2-CB 4.49Å; T20-D23 VanDerWaalsContact CG2-CG 3.47Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.29Å; T20-D23 VanDerWaalsContact CG2-OD2 3.23Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.41Å; T20-D23 PolarHBondContact O-N 3.37Å; T20-D23 VanDerWaalsContact O-N 3.09Å; F21-D23 PolarHBondContact O-N 2.81Å
24	Y	97.8	Very high	96.3	Very high	84 Å²	84	57 Å²	57	33%	0.329	35%	0.347	S	S	.	.	S	Bend	trans	-110.7	146.6	-173.2	-62.5	-91.5	0	0	0	112.5	F19 T20 F21 S22 R64 R90 T91	F19-Y24 HydrophobicContact CB-CE2 4.46Å; F19-Y24 AromaticContact CD2-CD2 3.64Å; F19-Y24 HydrophobicContact CD2-CD2 3.64Å; F19-Y24 AromaticContact CD2-CE2 3.94Å; F19-Y24 HydrophobicContact CD2-CE2 3.94Å; F19-Y24 HydrophobicContact CD2-CG 4.46Å; F19-Y24 HydrophobicContact CE2-CD2 4.09Å; T20-Y24 WeakPolarHBondContact O-CD2 2.97Å; F21-Y24 PolarHBondContact O-N 2.8Å; S22-Y24 VanDerWaalsContact C-N 3.33Å; Y24-R64 PolarHBondContact O-NH1 2.8Å; Y24-R90 HydrophobicContact CG-CB 4.37Å; Y24-T91 VanDerWaalsContact CD1-O 3.23Å; Y24-T91 WeakPolarHBondContact CD1-O 3.5Å
25	G	98	Very high	96	Very high	4 Å²	4	61.6 Å²	61.6	4%	0.041	37%	0.365	C	S	.	.			trans	-71.3	144.9	157.9	0	0	0	0	0	110	I43 T91	G25-I43 CarbonylContact C-O 3.6Å; G25-I43 WeakPolarHBondContact CA-O 3.37Å; G25-T91 PolarHBondContact N-OG1 2.74Å; G25-T91 PolarHBondContact O-N 3Å; G25-T91 PolarHBondContact O-OG1 3.13Å
26	M	98.4	Very high	95.7	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.02	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	144.1	-173.6	-60.4	-58.1	-56.5	0	0	110.8	F19 F21 Y42 I43 L71 R90	F19-M26 HydrophobicContact CE2-SD 4.31Å; F19-M26 HydrophobicContact CZ-CE 4.36Å; F19-M26 HydrophobicContact CZ-SD 4.46Å; F21-M26 HydrophobicContact CD2-CE 4.2Å; F21-M26 HydrophobicContact CD2-CG 4.29Å; F21-M26 HydrophobicContact CD2-SD 3.95Å; F21-M26 HydrophobicContact CE2-CE 3.77Å; F21-M26 HydrophobicContact CE2-CG 3.64Å; F21-M26 HydrophobicContact CE2-SD 3.76Å; F21-M26 HydrophobicContact CZ-CG 3.87Å; M26-Y42 CarbonylContact O-C 3.57Å; M26-Y42 WeakPolarHBondContact O-CA 3.41Å; M26-Y42 WeakPolarHBondContact O-CD2 3.44Å; M26-I43 HydrophobicContact CB-CG2 4.08Å; M26-I43 PolarHBondContact N-O 2.98Å; M26-I43 PolarHBondContact O-N 3.03Å; M26-L71 HydrophobicContact CB-CD1 3.66Å; M26-L71 HydrophobicContact CB-CD2 3.91Å; M26-L71 HydrophobicContact CB-CG 4.35Å; M26-L71 HydrophobicContact CG-CD1 4.33Å; M26-R90 HydrophobicContact CE-CB 4.11Å; M26-R90 HydrophobicContact SD-CB 3.76Å
27	H	98.4	Very high	95.7	Very high	40 Å²	40	65.1 Å²	65.1	19%	0.185	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.5	-176.5	-57.9	-107	0	0	0	110.8	V29 W39 A41 Y42 C88 A89 T91	H27-V29 HydrophobicContact CB-CG2 4.43Å; H27-W39 AromaticContact ND1-CD1 3.71Å; H27-W39 AromaticContact ND1-NE1 3.25Å; H27-W39 PolarHBondContact ND1-NE1 3.05Å; H27-A41 VanDerWaalsContact CA-O 3.27Å; H27-A41 WeakPolarHBondContact CA-O 3.36Å; H27-Y42 AromaticContact CD2-CD2 3.89Å; H27-Y42 AromaticContact CE1-CD2 3.26Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.43Å; H27-Y42 AromaticContact CE1-CE2 3.85Å; H27-Y42 AromaticContact ND1-CD2 3.66Å; H27-Y42 AromaticContact NE2-CD2 3.38Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.31Å; H27-Y42 AromaticContact NE2-CE2 3.62Å; H27-C88 VanDerWaalsContact O-CA 3.31Å; H27-C88 WeakPolarHBondContact O-CA 3.39Å; H27-A89 HydrophobicContact CB-CB 4.4Å; H27-A89 PolarHBondContact N-O 3.42Å; H27-A89 PolarHBondContact O-N 2.79Å; H27-T91 WeakPolarHBondContact NE2-CG2 3.37Å
28	W	98.5	Very high	95.7	Very high	7 Å²	7	62.8 Å²	62.8	3%	0.027	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136	154.1	-78.9	98.8	0	0	0	109.3	L12 C14 V40 A41 L71 F72 L73 Y86 Y87	L12-W28 HydrophobicContact CB-CH2 3.76Å; L12-W28 HydrophobicContact CB-CZ2 4Å; L12-W28 HydrophobicContact CB-CZ3 4.39Å; L12-W28 HydrophobicContact CD1-CH2 4.38Å; L12-W28 HydrophobicContact CD1-CZ3 4.17Å; C14-W28 HydrophobicContact CB-CH2 3.93Å; C14-W28 HydrophobicContact CB-CZ2 4.05Å; W28-V40 HydrophobicContact CB-CB 4.05Å; W28-V40 HydrophobicContact CB-CG1 4.39Å; W28-V40 WeakPolarHBondContact O-CB 3.09Å; W28-V40 PolarHBondContact O-N 3.12Å; W28-A41 PolarHBondContact N-O 3.38Å; W28-A41 PolarHBondContact O-N 2.8Å; W28-L71 HydrophobicContact CD2-CD2 4.41Å; W28-L71 HydrophobicContact CG-CD2 4.31Å; W28-L71 HydrophobicContact CZ2-CD2 4.47Å; W28-L71 VanDerWaalsContact NE1-CD2 3.32Å; W28-F72 PolarHBondContact NE1-O 2.87Å; W28-L73 HydrophobicContact CB-CD2 4.24Å; W28-L73 HydrophobicContact CD2-CB 4.12Å; W28-L73 HydrophobicContact CD2-CD2 4.21Å; W28-L73 HydrophobicContact CG-CB 4.17Å; W28-L73 HydrophobicContact CG-CD1 4.35Å; W28-L73 HydrophobicContact CG-CD2 3.99Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CZ2-CB 4.22Å; W28-Y86 HydrophobicContact CE3-CD1 4.44Å; W28-Y87 WeakPolarHBondContact CA-O 3.45Å
29	V	98	Very high	95.8	Very high	24 Å²	24	63.4 Å²	63.4	15%	0.145	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.6	175.6	-171.4	0	0	0	0	107.1	H27 L37 E38 Y86 Y87	H27-V29 HydrophobicContact CB-CG2 4.43Å; V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.72Å; V29-L37 HydrophobicContact CG1-CG 4.29Å; V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 3.26Å; V29-E38 VanDerWaalsContact CG1-O 3.29Å; V29-E38 WeakPolarHBondContact CG1-O 3.46Å; V29-Y86 CarbonylContact O-C 3.4Å; V29-Y86 WeakPolarHBondContact O-CA 3.43Å; V29-Y87 PolarHBondContact N-O 3.32Å; V29-Y87 PolarHBondContact O-N 2.96Å
30	R	97.1	Very high	96	Very high	17 Å²	17	61 Å²	61	6%	0.064	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.5	175.6	74.1	-178.8	-177	-175.6	1.1	112.3	E38 V40 D82 A84 M85 Y86	R30-E38 HydrophobicContact CG-CB 4Å; R30-E38 IonicContact CZ-OE2 3.32Å; R30-E38 PolarHBondContact N-O 3.07Å; R30-E38 IonicContact NE-OE2 3.93Å; R30-E38 PolarHBondContact NE-OE2 3.34Å; R30-E38 IonicContact NH2-OE2 2.96Å; R30-E38 PolarHBondContact NH2-OE2 2.93Å; R30-E38 PolarHBondContact O-N 3.06Å; R30-V40 HydrophobicContact CB-CG2 3.84Å; R30-V40 HydrophobicContact CG-CG2 3.6Å; R30-D82 IonicContact NH1-OD1 3.38Å; R30-D82 PolarHBondContact NH1-OD1 3.09Å; R30-A84 HydrophobicContact CB-CB 3.82Å; R30-A84 HydrophobicContact CG-CB 4.07Å; R30-M85 CarbonylContact C-O 3.49Å; R30-M85 WeakPolarHBondContact CA-O 3.31Å; R30-M85 WeakPolarHBondContact CB-O 3.25Å; R30-Y86 HydrophobicContact CB-CD1 3.89Å; R30-Y86 HydrophobicContact CB-CD2 4.3Å; R30-Y86 HydrophobicContact CB-CE1 3.82Å; R30-Y86 HydrophobicContact CB-CE2 4.21Å; R30-Y86 HydrophobicContact CB-CG 4.13Å; R30-Y86 WeakPolarHBondContact CD-OH 3.35Å; R30-Y86 HydrophobicContact CG-CE1 4.46Å; R30-Y86 PolarHBondContact NH1-OH 3.02Å
31	Q	96.6	Very high	96.1	Very high	82 Å²	82	57.3 Å²	57.3	38%	0.383	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	116.3	174.6	-165.9	176.7	14.4	0	0	109.8	K35 L37 A84 M85 Y87	Q31-K35 WeakPolarHBondContact CG-O 3.38Å; Q31-L37 HydrophobicContact CB-CD2 4.06Å; Q31-A84 WeakPolarHBondContact O-CB 3.22Å; Q31-M85 PolarHBondContact N-O 3.18Å; Q31-M85 PolarHBondContact O-N 3.25Å; Q31-Y87 HydrophobicContact CB-CE2 3.99Å
32	A	94.7	Very high	96.1	Very high	20 Å²	20	59.4 Å²	59.4	17%	0.165	31%	0.31	C	S	.	.			trans	-83.1	154.9	169	0	0	0	0	0	109.7	E34 K35 A84	A32-E34 PolarHBondContact O-N 2.87Å; A32-K35 HydrophobicContact CB-CB 4.16Å; A32-K35 HydrophobicContact CB-CD 4.29Å; A32-K35 HydrophobicContact CB-CG 4.23Å; A32-K35 PolarHBondContact O-N 3.13Å; A32-A84 HydrophobicContact CB-CB 4.4Å
33	P	89.8	Confident	96.2	Very high	136 Å²	136	57.4 Å²	57.4	88%	0.883	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-28.6	-173.9	-29.5	35.9	0	0	0	115.8
34	E	90.4	Very high	96.3	Very high	191 Å²	191	52.8 Å²	52.8	89%	0.893	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	12.1	-177	-59.9	-178	171.8	0	0	113.1	A32	A32-E34 PolarHBondContact O-N 2.87Å
35	K	90.6	Very high	96.3	Very high	113 Å²	113	51.3 Å²	51.3	49%	0.491	27%	0.273	S	S	.	.	S	Bend	trans	-126.8	156.6	-175.3	-62.2	-169	175.9	-177.8	0	112.3	Q31 A32 E38	Q31-K35 WeakPolarHBondContact CG-O 3.38Å; A32-K35 HydrophobicContact CB-CB 4.16Å; A32-K35 HydrophobicContact CB-CD 4.29Å; A32-K35 HydrophobicContact CB-CG 4.23Å; A32-K35 PolarHBondContact O-N 3.13Å; K35-E38 WeakPolarHBondContact CD-OE1 3.27Å; K35-E38 IonicContact NZ-OE1 3.07Å; K35-E38 PolarHBondContact NZ-OE1 2.96Å
36	G	93	Very high	96.1	Very high	52 Å²	52	53.8 Å²	53.8	54%	0.536	30%	0.299	S	S	.	.			trans	-67.2	-178.9	166.9	0	0	0	0	0	112.4	E38	G36-E38 PolarHBondContact O-N 3.23Å
37	L	95.1	Very high	96	Very high	120 Å²	120	56.1 Å²	56.1	63%	0.628	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	124.1	173.3	-72.4	167.3	0	0	0	110.3	V29 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.72Å; V29-L37 HydrophobicContact CG1-CG 4.29Å; Q31-L37 HydrophobicContact CB-CD2 4.06Å; L37-Y87 HydrophobicContact CD2-CD2 4.35Å
38	E	96.4	Very high	95.9	Very high	57 Å²	57	59.4 Å²	59.4	27%	0.266	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.2	174.6	-66.2	-178.3	175.3	0	0	109.3	V29 R30 K35 G36	V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 3.26Å; V29-E38 VanDerWaalsContact CG1-O 3.29Å; V29-E38 WeakPolarHBondContact CG1-O 3.46Å; R30-E38 HydrophobicContact CG-CB 4Å; R30-E38 IonicContact CZ-OE2 3.32Å; R30-E38 PolarHBondContact N-O 3.07Å; R30-E38 IonicContact NE-OE2 3.93Å; R30-E38 PolarHBondContact NE-OE2 3.34Å; R30-E38 IonicContact NH2-OE2 2.96Å; R30-E38 PolarHBondContact NH2-OE2 2.93Å; R30-E38 PolarHBondContact O-N 3.06Å; K35-E38 WeakPolarHBondContact CD-OE1 3.27Å; K35-E38 IonicContact NZ-OE1 3.07Å; K35-E38 PolarHBondContact NZ-OE1 2.96Å; G36-E38 PolarHBondContact O-N 3.23Å
39	W	97.3	Very high	95.9	Very high	98 Å²	98	61.4 Å²	61.4	37%	0.371	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	136.6	173.7	176.3	75.7	0	0	0	110.9	H27 A41 Y51 P53	H27-W39 AromaticContact ND1-CD1 3.71Å; H27-W39 AromaticContact ND1-NE1 3.25Å; H27-W39 PolarHBondContact ND1-NE1 3.05Å; W39-A41 VanDerWaalsContact CZ2-C 3.42Å; W39-A41 PolarHBondContact NE1-O 2.68Å; W39-Y51 WeakPolarHBondContact CH2-O 3.44Å; W39-P53 HydrophobicContact CE3-CB 4.34Å; W39-P53 HydrophobicContact CE3-CG 4.13Å; W39-P53 HydrophobicContact CZ3-CB 4.12Å; W39-P53 VanDerWaalsContact CZ3-CD 3.41Å; W39-P53 HydrophobicContact CZ3-CG 4.07Å
40	V	98	Very high	95.9	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.006	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-43.6	-171.6	177.5	0	0	0	0	112.7	W28 R30 P53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.05Å; W28-V40 HydrophobicContact CB-CG1 4.39Å; W28-V40 WeakPolarHBondContact O-CB 3.09Å; W28-V40 PolarHBondContact O-N 3.12Å; R30-V40 HydrophobicContact CB-CG2 3.84Å; R30-V40 HydrophobicContact CG-CG2 3.6Å; V40-P53 WeakPolarHBondContact O-CD 3.47Å; V40-V56 HydrophobicContact CG1-CG2 4.4Å; V40-V56 WeakPolarHBondContact O-CG2 3.38Å; V40-F60 HydrophobicContact CG1-CD2 3.67Å; V40-F60 HydrophobicContact CG1-CE2 4.02Å; V40-L73 HydrophobicContact CG1-CD2 4.05Å; V40-Y86 HydrophobicContact CG1-CE1 4.32Å; V40-Y86 HydrophobicContact CG2-CE1 4.09Å
41	A	98.4	Very high	96	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	158.1	-178.9	0	0	0	0	0	111.1	H27 W28 W39 Y51 Y52 I62 L73	H27-A41 VanDerWaalsContact CA-O 3.27Å; H27-A41 WeakPolarHBondContact CA-O 3.36Å; W28-A41 PolarHBondContact N-O 3.38Å; W28-A41 PolarHBondContact O-N 2.8Å; W39-A41 VanDerWaalsContact CZ2-C 3.42Å; W39-A41 PolarHBondContact NE1-O 2.68Å; A41-Y51 WeakPolarHBondContact CA-O 3.27Å; A41-Y52 HydrophobicContact CB-CD1 3.7Å; A41-Y52 HydrophobicContact CB-CE1 3.74Å; A41-I62 HydrophobicContact CB-CB 3.93Å; A41-I62 HydrophobicContact CB-CD1 3.91Å; A41-I62 HydrophobicContact CB-CG1 4.47Å; A41-I62 HydrophobicContact CB-CG2 4.12Å; A41-L73 HydrophobicContact CB-CD1 4.36Å
42	Y	98.6	Very high	96.1	Very high	46 Å²	46	68.1 Å²	68.1	18%	0.18	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.6	172.7	168.8	-101	0	0	0	110.5	M26 H27 T49 I50 Y51 T91	M26-Y42 CarbonylContact O-C 3.57Å; M26-Y42 WeakPolarHBondContact O-CA 3.41Å; M26-Y42 WeakPolarHBondContact O-CD2 3.44Å; H27-Y42 AromaticContact CD2-CD2 3.89Å; H27-Y42 AromaticContact CE1-CD2 3.26Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.43Å; H27-Y42 AromaticContact CE1-CE2 3.85Å; H27-Y42 AromaticContact ND1-CD2 3.66Å; H27-Y42 AromaticContact NE2-CD2 3.38Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.31Å; H27-Y42 AromaticContact NE2-CE2 3.62Å; Y42-T49 HydrophobicContact CE1-CG2 4.41Å; Y42-I50 VanDerWaalsContact O-CA 3.28Å; Y42-I50 WeakPolarHBondContact O-CA 3.47Å; Y42-I50 WeakPolarHBondContact O-CG2 3.48Å; Y42-Y51 AromaticContact CD1-CD2 3.6Å; Y42-Y51 HydrophobicContact CD1-CD2 3.6Å; Y42-Y51 HydrophobicContact CD1-CE2 4.22Å; Y42-Y51 HydrophobicContact CE1-CD2 4.23Å; Y42-Y51 HydrophobicContact CE1-CE2 4.42Å; Y42-Y51 HydrophobicContact CG-CD2 4.45Å; Y42-Y51 PolarHBondContact N-O 3.35Å; Y42-Y51 PolarHBondContact O-N 3.06Å; Y42-T91 HydrophobicContact CE2-CG2 4.19Å
43	I	98.7	Very high	96.2	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.021	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	127.8	168.4	-172.2	160.5	0	0	0	109.8	G25 M26 I50 I62 R64 L71	G25-I43 CarbonylContact C-O 3.6Å; G25-I43 WeakPolarHBondContact CA-O 3.37Å; M26-I43 HydrophobicContact CB-CG2 4.08Å; M26-I43 PolarHBondContact N-O 2.98Å; M26-I43 PolarHBondContact O-N 3.03Å; I43-I50 HydrophobicContact CB-CG1 4.37Å; I43-I50 HydrophobicContact CD1-CD1 3.99Å; I43-I50 HydrophobicContact CD1-CG1 4.12Å; I43-I50 HydrophobicContact CG1-CD1 4.37Å; I43-I50 HydrophobicContact CG1-CG1 3.93Å; I43-I62 HydrophobicContact CB-CD1 3.99Å; I43-I62 HydrophobicContact CB-CG1 4.23Å; I43-I62 HydrophobicContact CB-CG2 3.97Å; I43-I62 HydrophobicContact CG2-CD1 3.58Å; I43-I62 HydrophobicContact CG2-CG1 3.88Å; I43-R64 HydrophobicContact CD1-CB 4.49Å; I43-R64 HydrophobicContact CD1-CG 3.88Å; I43-R64 HydrophobicContact CG1-CG 4.41Å; I43-L71 HydrophobicContact CG2-CD1 3.64Å
44	S	98.4	Very high	96.5	Very high	9 Å²	9	68.8 Å²	68.8	6%	0.063	38%	0.376	C	S	.	.			trans	-63.8	164.6	174.9	53.5	0	0	0	0	113.2	G46 S47 S48 T49 R64	S44-G46 VanDerWaalsContact C-N 3.31Å; S44-G46 PolarHBondContact O-N 2.86Å; S44-S47 PolarHBondContact O-N 3.11Å; S44-S47 VanDerWaalsContact O-N 3.08Å; S44-S47 PolarHBondContact OG-N 2.89Å; S44-S48 PolarHBondContact OG-N 3.25Å; S44-T49 PolarHBondContact N-O 2.95Å; S44-T49 PolarHBondContact OG-N 2.78Å; S44-T49 PolarHBondContact OG-O 3.31Å; S44-R64 PolarHBondContact O-NH1 3.01Å
45	S	96.9	Very high	96.7	Very high	52 Å²	52	64 Å²	64	36%	0.364	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-50.1	174.4	44.9	0	0	0	0	113	S22 R64	S22-S45 WeakPolarHBondContact O-CB 3.28Å; S45-R64 PolarHBondContact O-NE 2.77Å; S45-R64 PolarHBondContact O-NH1 2.02Å
46	G	94.8	Very high	97	Very high	57 Å²	57	58.6 Å²	58.6	59%	0.588	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	3.7	179.7	0	0	0	0	0	115.4	S44 S48	S44-G46 VanDerWaalsContact C-N 3.31Å; S44-G46 PolarHBondContact O-N 2.86Å; G46-S48 PolarHBondContact O-N 2.97Å
47	S	96.6	Very high	97.1	Very high	53 Å²	53	62.5 Å²	62.5	37%	0.371	34%	0.339	S	S	.	.	S	Bend	trans	59	11	-175.1	-48.3	0	0	0	0	115.8	S44 R64	S44-S47 PolarHBondContact O-N 3.11Å; S44-S47 VanDerWaalsContact O-N 3.08Å; S44-S47 PolarHBondContact OG-N 2.89Å; S47-R64 WeakPolarHBondContact OG-CD 3.45Å; S47-R64 WeakPolarHBondContact OG-CG 3.02Å
48	S	96.6	Very high	97.1	Very high	108 Å²	108	60.5 Å²	60.5	76%	0.755	35%	0.347	S	S	*	.	S	Bend	trans	-73.7	-30	179.5	58.1	0	0	0	0	112.6	S44 G46	S44-S48 PolarHBondContact OG-N 3.25Å; G46-S48 PolarHBondContact O-N 2.97Å
49	T	98.1	Very high	97.2	Very high	49 Å²	49	58.9 Å²	58.9	30%	0.301	34%	0.339	S	S	.	.			trans	-116.6	128.3	178.4	-54.8	0	0	0	0	110.2	Y42 S44 Y51	Y42-T49 HydrophobicContact CE1-CG2 4.41Å; S44-T49 PolarHBondContact N-O 2.95Å; S44-T49 PolarHBondContact OG-N 2.78Å; S44-T49 PolarHBondContact OG-O 3.31Å; T49-Y51 HydrophobicContact CG2-CD2 3.96Å; T49-Y51 HydrophobicContact CG2-CE1 4.2Å; T49-Y51 HydrophobicContact CG2-CE2 3.22Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.35Å
50	I	98.5	Very high	97.2	Very high	69 Å²	69	54.3 Å²	54.3	35%	0.354	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.5	176.6	-62	177.1	0	0	0	108.6	Y42 I43 Y52 I62	Y42-I50 VanDerWaalsContact O-CA 3.28Å; Y42-I50 WeakPolarHBondContact O-CA 3.47Å; Y42-I50 WeakPolarHBondContact O-CG2 3.48Å; I43-I50 HydrophobicContact CB-CG1 4.37Å; I43-I50 HydrophobicContact CD1-CD1 3.99Å; I43-I50 HydrophobicContact CD1-CG1 4.12Å; I43-I50 HydrophobicContact CG1-CD1 4.37Å; I43-I50 HydrophobicContact CG1-CG1 3.93Å; I50-Y52 HydrophobicContact CG2-CD2 4.08Å; I50-Y52 HydrophobicContact CG2-CE1 4.35Å; I50-Y52 HydrophobicContact CG2-CE2 3.3Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.47Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.28Å; I50-I62 HydrophobicContact CG2-CG2 3.6Å
51	Y	98.3	Very high	97.2	Very high	140 Å²	140	57.9 Å²	57.9	55%	0.549	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146	176	-60.7	-66.1	0	0	0	111.6	W39 A41 Y42 T49	W39-Y51 WeakPolarHBondContact CH2-O 3.44Å; A41-Y51 WeakPolarHBondContact CA-O 3.27Å; Y42-Y51 AromaticContact CD1-CD2 3.6Å; Y42-Y51 HydrophobicContact CD1-CD2 3.6Å; Y42-Y51 HydrophobicContact CD1-CE2 4.22Å; Y42-Y51 HydrophobicContact CE1-CD2 4.23Å; Y42-Y51 HydrophobicContact CE1-CE2 4.42Å; Y42-Y51 HydrophobicContact CG-CD2 4.45Å; Y42-Y51 PolarHBondContact N-O 3.35Å; Y42-Y51 PolarHBondContact O-N 3.06Å; T49-Y51 HydrophobicContact CG2-CD2 3.96Å; T49-Y51 HydrophobicContact CG2-CE1 4.2Å; T49-Y51 HydrophobicContact CG2-CE2 3.22Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.35Å
52	Y	98.3	Very high	97.2	Very high	55 Å²	55	58 Å²	58	22%	0.216	34%	0.344	C	S	.	.			trans	-137.4	144.3	172.9	-56.1	-81.8	0	0	0	109.5	A41 I50 V56 F60 T61 I62	A41-Y52 HydrophobicContact CB-CD1 3.7Å; A41-Y52 HydrophobicContact CB-CE1 3.74Å; I50-Y52 HydrophobicContact CG2-CD2 4.08Å; I50-Y52 HydrophobicContact CG2-CE1 4.35Å; I50-Y52 HydrophobicContact CG2-CE2 3.3Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.47Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.28Å; Y52-V56 HydrophobicContact CD1-CG2 4.44Å; Y52-F60 WeakPolarHBondContact CE1-O 3.36Å; Y52-T61 WeakPolarHBondContact OH-CA 3.23Å; Y52-I62 HydrophobicContact CE1-CB 4.27Å; Y52-I62 HydrophobicContact CE1-CG2 3.92Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.03Å; Y52-I62 PolarHBondContact OH-N 3.01Å
53	P	97.3	Very high	97.2	Very high	31 Å²	31	58 Å²	58	20%	0.201	35%	0.351	C	S	.	.			trans	-72.4	154.2	164.3	31.7	-30	0	0	0	110.3	W39 V40 T55 V56 K57	W39-P53 HydrophobicContact CE3-CB 4.34Å; W39-P53 HydrophobicContact CE3-CG 4.13Å; W39-P53 HydrophobicContact CZ3-CB 4.12Å; W39-P53 VanDerWaalsContact CZ3-CD 3.41Å; W39-P53 HydrophobicContact CZ3-CG 4.07Å; V40-P53 WeakPolarHBondContact O-CD 3.47Å; P53-T55 PolarHBondContact O-N 2.95Å; P53-T55 VanDerWaalsContact O-N 3.08Å; P53-V56 HydrophobicContact CG-CG2 3.86Å; P53-V56 PolarHBondContact O-N 3.01Å; P53-V56 VanDerWaalsContact O-N 3.13Å; P53-K57 PolarHBondContact O-N 3.04Å
54	D	96.3	Very high	97.2	Very high	139 Å²	139	59.2 Å²	59.2	74%	0.743	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-25	-177.5	-67.1	-34.9	0	0	0	113.4	V56	D54-V56 PolarHBondContact O-N 2.99Å
55	T	94.3	Very high	97.2	Very high	91 Å²	91	60.6 Å²	60.6	56%	0.558	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-26	178.4	54.6	0	0	0	0	113.9	P53 R59	P53-T55 PolarHBondContact O-N 2.95Å; P53-T55 VanDerWaalsContact O-N 3.08Å; T55-R59 PolarHBondContact O-NH2 3.3Å
56	V	96.6	Very high	97.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-8.3	-177.6	-53.6	0	0	0	0	113.5	V40 Y52 P53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG2 4.4Å; V40-V56 WeakPolarHBondContact O-CG2 3.38Å; Y52-V56 HydrophobicContact CD1-CG2 4.44Å; P53-V56 HydrophobicContact CG-CG2 3.86Å; P53-V56 PolarHBondContact O-N 3.01Å; P53-V56 VanDerWaalsContact O-N 3.13Å; D54-V56 PolarHBondContact O-N 2.99Å; V56-G58 PolarHBondContact O-N 3.1Å; V56-R59 PolarHBondContact O-N 2.91Å; V56-F60 HydrophobicContact CB-CB 4.17Å; V56-F60 HydrophobicContact CB-CD1 4.42Å; V56-F60 HydrophobicContact CB-CD2 3.6Å; V56-F60 HydrophobicContact CB-CE2 3.98Å; V56-F60 HydrophobicContact CB-CG 3.83Å; V56-F60 HydrophobicContact CG1-CD2 3.74Å; V56-F60 HydrophobicContact CG1-CE2 3.6Å; V56-F60 HydrophobicContact CG1-CG 4.38Å; V56-F60 HydrophobicContact CG1-CZ 4.13Å; V56-F60 HydrophobicContact CG2-CB 4.33Å; V56-F60 HydrophobicContact CG2-CD2 4.09Å; V56-F60 HydrophobicContact CG2-CG 4.41Å; V56-F60 PolarHBondContact O-N 2.91Å
57	K	95.8	Very high	97.3	Very high	134 Å²	134	63.1 Å²	63.1	58%	0.583	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	131.7	179.1	-167.7	173.8	-175.9	178	0	110.7	P53 R59	P53-K57 PolarHBondContact O-N 3.04Å; K57-R59 PolarHBondContact O-N 3.25Å
58	G	96.1	Very high	97.3	Very high	78 Å²	78	67.3 Å²	67.3	80%	0.804	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-8.3	-177	0	0	0	0	0	115.4	V56	V56-G58 PolarHBondContact O-N 3.1Å
59	R	97.3	Very high	97.4	Very high	22 Å²	22	65.2 Å²	65.2	8%	0.083	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-36.4	175	-58.9	-170.4	-57.9	114.2	-0.7	112.1	T55 V56 K57 T76 S77 D82	T55-R59 PolarHBondContact O-NH2 3.3Å; V56-R59 PolarHBondContact O-N 2.91Å; K57-R59 PolarHBondContact O-N 3.25Å; R59-T76 PolarHBondContact O-N 2.81Å; R59-T76 PolarHBondContact O-OG1 2.99Å; R59-S77 PolarHBondContact NH1-O 3.33Å; R59-S77 VanDerWaalsContact NH1-O 3.12Å; R59-D82 IonicContact CZ-OD1 3.83Å; R59-D82 IonicContact CZ-OD2 2.94Å; R59-D82 IonicContact NH1-OD1 3.34Å; R59-D82 IonicContact NH1-OD2 2.68Å; R59-D82 PolarHBondContact NH1-OD2 2.86Å; R59-D82 IonicContact NH2-OD1 3.46Å; R59-D82 PolarHBondContact NH2-OD1 3.09Å; R59-D82 IonicContact NH2-OD2 2.91Å; R59-D82 PolarHBondContact NH2-OD2 3.05Å
60	F	98	Very high	97.4	Very high	3 Å²	3	63.8 Å²	63.8	1%	0.013	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	142.4	-177.6	-65.5	7.4	0	0	0	110.7	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD2 3.67Å; V40-F60 HydrophobicContact CG1-CE2 4.02Å; Y52-F60 WeakPolarHBondContact CE1-O 3.36Å; V56-F60 HydrophobicContact CB-CB 4.17Å; V56-F60 HydrophobicContact CB-CD1 4.42Å; V56-F60 HydrophobicContact CB-CD2 3.6Å; V56-F60 HydrophobicContact CB-CE2 3.98Å; V56-F60 HydrophobicContact CB-CG 3.83Å; V56-F60 HydrophobicContact CG1-CD2 3.74Å; V56-F60 HydrophobicContact CG1-CE2 3.6Å; V56-F60 HydrophobicContact CG1-CG 4.38Å; V56-F60 HydrophobicContact CG1-CZ 4.13Å; V56-F60 HydrophobicContact CG2-CB 4.33Å; V56-F60 HydrophobicContact CG2-CD2 4.09Å; V56-F60 HydrophobicContact CG2-CG 4.41Å; V56-F60 PolarHBondContact O-N 2.91Å; F60-L73 HydrophobicContact CB-CD1 4.2Å; F60-L73 HydrophobicContact CD2-CD2 4.18Å; F60-Q74 CarbonylContact C-O 3.6Å; F60-Q74 VanDerWaalsContact CA-O 3.28Å; F60-Q74 WeakPolarHBondContact CA-O 3.31Å; F60-M75 HydrophobicContact CD1-CB 3.78Å; F60-M75 HydrophobicContact CD1-CG 3.94Å; F60-M75 HydrophobicContact CD2-CG 4.15Å; F60-M75 HydrophobicContact CE1-CB 3.75Å; F60-M75 HydrophobicContact CE1-CE 4.2Å; F60-M75 HydrophobicContact CE1-CG 4.01Å; F60-M75 HydrophobicContact CE2-CE 3.92Å; F60-M75 HydrophobicContact CE2-CG 4.18Å; F60-M75 HydrophobicContact CG-CB 4.38Å; F60-M75 HydrophobicContact CG-CG 4.06Å; F60-M75 HydrophobicContact CZ-CB 4.29Å; F60-M75 HydrophobicContact CZ-CE 3.61Å; F60-M75 HydrophobicContact CZ-CG 4.14Å; F60-L78 HydrophobicContact CE1-CD2 4.09Å; F60-L78 HydrophobicContact CZ-CD2 4.25Å; F60-D82 HydrophobicContact CZ-CB 4.14Å; F60-Y86 HydrophobicContact CE2-CE1 4.4Å
61	T	98.4	Very high	97.4	Very high	76 Å²	76	60.5 Å²	60.5	47%	0.466	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	111.5	177.5	-53.5	0	0	0	0	109.5	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.23Å; T61-Q74 PolarHBondContact N-O 3.24Å; T61-Q74 PolarHBondContact O-N 2.84Å
62	I	98.7	Very high	97.4	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.015	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	139.4	170.7	-167.2	171.4	0	0	0	109.5	A41 I43 I50 Y52 L71 F72 L73	A41-I62 HydrophobicContact CB-CB 3.93Å; A41-I62 HydrophobicContact CB-CD1 3.91Å; A41-I62 HydrophobicContact CB-CG1 4.47Å; A41-I62 HydrophobicContact CB-CG2 4.12Å; I43-I62 HydrophobicContact CB-CD1 3.99Å; I43-I62 HydrophobicContact CB-CG1 4.23Å; I43-I62 HydrophobicContact CB-CG2 3.97Å; I43-I62 HydrophobicContact CG2-CD1 3.58Å; I43-I62 HydrophobicContact CG2-CG1 3.88Å; I50-I62 HydrophobicContact CG2-CG2 3.6Å; Y52-I62 HydrophobicContact CE1-CB 4.27Å; Y52-I62 HydrophobicContact CE1-CG2 3.92Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.03Å; Y52-I62 PolarHBondContact OH-N 3.01Å; I62-L71 HydrophobicContact CD1-CD1 4.01Å; I62-L71 HydrophobicContact CD1-CD2 4.42Å; I62-L71 HydrophobicContact CG1-CD1 3.98Å; I62-L71 HydrophobicContact CG1-CG 4.48Å; I62-F72 WeakPolarHBondContact CA-O 3.35Å; I62-L73 HydrophobicContact CB-CD1 4.22Å
63	S	98.6	Very high	97.4	Very high	45 Å²	45	53.1 Å²	53.1	32%	0.315	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	162.4	171.8	49.9	0	0	0	0	110	F72	S63-F72 PolarHBondContact N-O 2.95Å; S63-F72 PolarHBondContact O-N 3.18Å
64	R	98.4	Very high	97.5	Very high	29 Å²	29	54.6 Å²	54.6	11%	0.109	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	151.3	-177.6	64	-177.5	-70.8	158.9	2.8	111.2	F21 Y24 I43 S44 S45 S47 N66 T70 L71	F21-R64 VanDerWaalsContact CD1-NH2 3.28Å; F21-R64 HydrophobicContact CE1-CB 4.11Å; F21-R64 VanDerWaalsContact CE1-NH2 3.28Å; F21-R64 HydrophobicContact CZ-CB 4.16Å; F21-R64 PolarHBondContact O-NH2 2.84Å; Y24-R64 PolarHBondContact O-NH1 2.8Å; I43-R64 HydrophobicContact CD1-CB 4.49Å; I43-R64 HydrophobicContact CD1-CG 3.88Å; I43-R64 HydrophobicContact CG1-CG 4.41Å; S44-R64 PolarHBondContact O-NH1 3.01Å; S45-R64 PolarHBondContact O-NE 2.77Å; S45-R64 PolarHBondContact O-NH1 2.02Å; S47-R64 WeakPolarHBondContact OG-CD 3.45Å; S47-R64 WeakPolarHBondContact OG-CG 3.02Å; R64-N66 PolarHBondContact NE-OD1 3.36Å; R64-N66 PolarHBondContact NH2-OD1 3.26Å; R64-T70 WeakPolarHBondContact CA-O 3.13Å; R64-L71 HydrophobicContact CB-CD1 4.1Å
65	D	97.8	Very high	97.5	Very high	39 Å²	39	48.2 Å²	48.2	21%	0.209	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	108	170.9	-175.9	-24.1	0	0	0	108.4	A67 K68 N69 T70 F72	D65-A67 WeakPolarHBondContact OD1-CB 3.36Å; D65-A67 PolarHBondContact OD1-N 2.96Å; D65-K68 HydrophobicContact CB-CB 4.23Å; D65-K68 PolarHBondContact O-N 2.88Å; D65-K68 PolarHBondContact OD1-N 3.02Å; D65-K68 VanDerWaalsContact OD1-N 3.13Å; D65-K68 VanDerWaalsContact OD2-CD 3.28Å; D65-K68 WeakPolarHBondContact OD2-CD 3.44Å; D65-K68 WeakPolarHBondContact OD2-CE 3.44Å; D65-K68 WeakPolarHBondContact OD2-CG 3.36Å; D65-K68 IonicContact OD2-NZ 2.74Å; D65-K68 PolarHBondContact OD2-NZ 3.46Å; D65-N69 PolarHBondContact O-N 2.91Å; D65-T70 PolarHBondContact N-O 3.45Å; D65-T70 PolarHBondContact O-N 2.88Å; D65-F72 HydrophobicContact CB-CE2 3.98Å
66	N	97.1	Very high	97.6	Very high	65 Å²	65	46.1 Å²	46.1	35%	0.348	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-30.3	-177.8	-73.4	-11.7	0	0	0	112.8	F21 R64 K68 N69	F21-N66 WeakPolarHBondContact CE1-OD1 3.39Å; R64-N66 PolarHBondContact NE-OD1 3.36Å; R64-N66 PolarHBondContact NH2-OD1 3.26Å; N66-K68 VanDerWaalsContact C-N 3.26Å; N66-K68 PolarHBondContact O-N 3.45Å; N66-N69 PolarHBondContact O-N 3.08Å; N66-N69 PolarHBondContact O-OD1 2.79Å
67	A	96.6	Very high	97.5	Very high	97 Å²	97	49.4 Å²	49.4	80%	0.802	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-29.1	177.6	0	0	0	0	0	111.4	D65	D65-A67 WeakPolarHBondContact OD1-CB 3.36Å; D65-A67 PolarHBondContact OD1-N 2.96Å
68	K	97.3	Very high	97.5	Very high	140 Å²	140	44 Å²	44	61%	0.609	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	3.1	178.8	-59.7	-172.5	-168.2	112.5	0	114.2	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.23Å; D65-K68 PolarHBondContact O-N 2.88Å; D65-K68 PolarHBondContact OD1-N 3.02Å; D65-K68 VanDerWaalsContact OD1-N 3.13Å; D65-K68 VanDerWaalsContact OD2-CD 3.28Å; D65-K68 WeakPolarHBondContact OD2-CD 3.44Å; D65-K68 WeakPolarHBondContact OD2-CE 3.44Å; D65-K68 WeakPolarHBondContact OD2-CG 3.36Å; D65-K68 IonicContact OD2-NZ 2.74Å; D65-K68 PolarHBondContact OD2-NZ 3.46Å; N66-K68 VanDerWaalsContact C-N 3.26Å; N66-K68 PolarHBondContact O-N 3.45Å; K68-T70 PolarHBondContact O-N 3.06Å; K68-T70 VanDerWaalsContact O-N 3.08Å; K68-T70 PolarHBondContact O-OG1 2.84Å
69	N	97.8	Very high	97.4	Very high	65 Å²	65	46.8 Å²	46.8	35%	0.348	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	38.7	-172.8	-60	-33.7	0	0	0	112.9	A16 F21 D65 N66	A16-N69 PolarHBondContact N-O 2.79Å; F21-N69 HydrophobicContact CB-CB 3.85Å; F21-N69 WeakPolarHBondContact CB-OD1 3.37Å; F21-N69 HydrophobicContact CG-CB 4.14Å; D65-N69 PolarHBondContact O-N 2.91Å; N66-N69 PolarHBondContact O-N 3.08Å; N66-N69 PolarHBondContact O-OD1 2.79Å
70	T	98.4	Very high	97.1	Very high	19 Å²	19	49.6 Å²	49.6	12%	0.117	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.5	-170.3	-58	0	0	0	0	111.5	C14 R64 D65 K68 F72	C14-T70 CarbonylContact O-C 3.48Å; C14-T70 WeakPolarHBondContact O-CA 3.18Å; R64-T70 WeakPolarHBondContact CA-O 3.13Å; D65-T70 PolarHBondContact N-O 3.45Å; D65-T70 PolarHBondContact O-N 2.88Å; K68-T70 PolarHBondContact O-N 3.06Å; K68-T70 VanDerWaalsContact O-N 3.08Å; K68-T70 PolarHBondContact O-OG1 2.84Å; T70-F72 HydrophobicContact CG2-CD1 4.17Å; T70-F72 HydrophobicContact CG2-CD2 4.41Å; T70-F72 HydrophobicContact CG2-CE1 3.53Å; T70-F72 HydrophobicContact CG2-CE2 3.8Å; T70-F72 HydrophobicContact CG2-CZ 3.32Å
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	-97.3	140.3	171.4	-169.6	70.2	0	0	0	110.2	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.57Å; S13-L71 VanDerWaalsContact CA-O 3.31Å; S13-L71 WeakPolarHBondContact CA-O 3.33Å; C14-L71 HydrophobicContact CB-CB 4.39Å; C14-L71 PolarHBondContact N-O 3.09Å; C14-L71 PolarHBondContact O-N 3.32Å; F21-L71 HydrophobicContact CE2-CB 4.33Å; F21-L71 HydrophobicContact CZ-CB 4.2Å; M26-L71 HydrophobicContact CB-CD1 3.66Å; M26-L71 HydrophobicContact CB-CD2 3.91Å; M26-L71 HydrophobicContact CB-CG 4.35Å; M26-L71 HydrophobicContact CG-CD1 4.33Å; W28-L71 HydrophobicContact CD2-CD2 4.41Å; W28-L71 HydrophobicContact CG-CD2 4.31Å; W28-L71 HydrophobicContact CZ2-CD2 4.47Å; W28-L71 VanDerWaalsContact NE1-CD2 3.32Å; I43-L71 HydrophobicContact CG2-CD1 3.64Å; I62-L71 HydrophobicContact CD1-CD1 4.01Å; I62-L71 HydrophobicContact CD1-CD2 4.42Å; I62-L71 HydrophobicContact CG1-CD1 3.98Å; I62-L71 HydrophobicContact CG1-CG 4.48Å; R64-L71 HydrophobicContact CB-CD1 4.1Å; L71-C88 HydrophobicContact CD2-CB 4.04Å
72	F	98.5	Very high	96.6	Very high	40 Å²	40	51.9 Å²	51.9	18%	0.175	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.8	177.9	-56.7	-79.2	0	0	0	111.6	K11 L12 W28 I62 S63 D65 T70	K11-F72 VanDerWaalsContact CE-CD1 3.49Å; L12-F72 VanDerWaalsContact O-CA 3.25Å; L12-F72 WeakPolarHBondContact O-CA 3.34Å; W28-F72 PolarHBondContact NE1-O 2.87Å; I62-F72 WeakPolarHBondContact CA-O 3.35Å; S63-F72 PolarHBondContact N-O 2.95Å; S63-F72 PolarHBondContact O-N 3.18Å; D65-F72 HydrophobicContact CB-CE2 3.98Å; T70-F72 HydrophobicContact CG2-CD1 4.17Å; T70-F72 HydrophobicContact CG2-CD2 4.41Å; T70-F72 HydrophobicContact CG2-CE1 3.53Å; T70-F72 HydrophobicContact CG2-CE2 3.8Å; T70-F72 HydrophobicContact CG2-CZ 3.32Å
73	L	98.6	Very high	96.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	108.2	167	-168.5	65.4	0	0	0	108.4	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 WeakPolarHBondContact CA-O 3.23Å; L12-L73 HydrophobicContact CB-CB 4.26Å; L12-L73 HydrophobicContact CD1-CD2 4.47Å; L12-L73 PolarHBondContact N-O 2.94Å; L12-L73 PolarHBondContact O-N 2.91Å; W28-L73 HydrophobicContact CB-CD2 4.24Å; W28-L73 HydrophobicContact CD2-CB 4.12Å; W28-L73 HydrophobicContact CD2-CD2 4.21Å; W28-L73 HydrophobicContact CG-CB 4.17Å; W28-L73 HydrophobicContact CG-CD1 4.35Å; W28-L73 HydrophobicContact CG-CD2 3.99Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CZ2-CB 4.22Å; V40-L73 HydrophobicContact CG1-CD2 4.05Å; A41-L73 HydrophobicContact CB-CD1 4.36Å; F60-L73 HydrophobicContact CB-CD1 4.2Å; F60-L73 HydrophobicContact CD2-CD2 4.18Å; I62-L73 HydrophobicContact CB-CD1 4.22Å; L73-M75 HydrophobicContact CD2-CG 3.87Å; L73-M75 HydrophobicContact CD2-SD 3.94Å; L73-M75 HydrophobicContact CG-CG 3.81Å; L73-M75 HydrophobicContact CG-SD 4.39Å; L73-Y86 HydrophobicContact CD2-CD1 4.07Å; L73-Y86 HydrophobicContact CD2-CE1 4.07Å
74	Q	98.2	Very high	96.2	Very high	62 Å²	62	55.3 Å²	55.3	29%	0.29	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	124	167.1	-176.5	63.7	46.7	0	0	107.9	F60 T61 T76	F60-Q74 CarbonylContact C-O 3.6Å; F60-Q74 VanDerWaalsContact CA-O 3.28Å; F60-Q74 WeakPolarHBondContact CA-O 3.31Å; T61-Q74 PolarHBondContact N-O 3.24Å; T61-Q74 PolarHBondContact O-N 2.84Å; Q74-T76 HydrophobicContact CG-CG2 4.27Å
75	M	97.3	Very high	96.1	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.025	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.7	179.7	-56.8	161.9	64.7	0	0	107.5	S9 L10 L12 F60 L73 L78 Y86	S9-M75 CarbonylContact C-O 3.51Å; S9-M75 WeakPolarHBondContact CA-O 3.23Å; S9-M75 WeakPolarHBondContact CB-O 3.33Å; L10-M75 PolarHBondContact N-O 2.74Å; L10-M75 PolarHBondContact O-N 2.74Å; L12-M75 HydrophobicContact CD1-SD 3.73Å; L12-M75 HydrophobicContact CG-SD 3.92Å; F60-M75 HydrophobicContact CD1-CB 3.78Å; F60-M75 HydrophobicContact CD1-CG 3.94Å; F60-M75 HydrophobicContact CD2-CG 4.15Å; F60-M75 HydrophobicContact CE1-CB 3.75Å; F60-M75 HydrophobicContact CE1-CE 4.2Å; F60-M75 HydrophobicContact CE1-CG 4.01Å; F60-M75 HydrophobicContact CE2-CE 3.92Å; F60-M75 HydrophobicContact CE2-CG 4.18Å; F60-M75 HydrophobicContact CG-CB 4.38Å; F60-M75 HydrophobicContact CG-CG 4.06Å; F60-M75 HydrophobicContact CZ-CB 4.29Å; F60-M75 HydrophobicContact CZ-CE 3.61Å; F60-M75 HydrophobicContact CZ-CG 4.14Å; L73-M75 HydrophobicContact CD2-CG 3.87Å; L73-M75 HydrophobicContact CD2-SD 3.94Å; L73-M75 HydrophobicContact CG-CG 3.81Å; L73-M75 HydrophobicContact CG-SD 4.39Å; M75-L78 HydrophobicContact CB-CD2 3.74Å; M75-L78 HydrophobicContact CB-CG 4.34Å; M75-L78 HydrophobicContact CE-CD2 3.33Å; M75-Y86 HydrophobicContact CE-CE1 4.03Å; M75-Y86 HydrophobicContact CE-CE2 4.04Å; M75-Y86 WeakPolarHBondContact CE-OH 3.38Å; M75-Y86 HydrophobicContact SD-CE1 4.42Å
76	T	96.5	Very high	96	Very high	47 Å²	47	59.7 Å²	59.7	29%	0.288	32%	0.323	S	S	.	.			trans	-114.6	160.1	175.3	66.6	0	0	0	0	110.3	R59 Q74 L78	R59-T76 PolarHBondContact O-N 2.81Å; R59-T76 PolarHBondContact O-OG1 2.99Å; Q74-T76 HydrophobicContact CG-CG2 4.27Å; T76-L78 VanDerWaalsContact C-N 3.28Å; T76-L78 PolarHBondContact O-N 2.86Å
77	S	94.7	Very high	96	Very high	68 Å²	68	61.6 Å²	61.6	48%	0.476	33%	0.326	S	S	.	.	S	Bend	trans	49.3	51.4	179.2	-56.2	0	0	0	0	112	G8 R59	G8-S77 PolarHBondContact O-N 3.46Å; R59-S77 PolarHBondContact NH1-O 3.33Å; R59-S77 VanDerWaalsContact NH1-O 3.12Å
78	L	95.2	Very high	96.1	Very high	20 Å²	20	59.3 Å²	59.3	11%	0.105	30%	0.303	C	S	.	.			trans	-60.7	139.2	-178.4	-75.2	170.6	0	0	0	111.5	V4 G7 G8 L10 F60 M75 T76 D82	V4-L78 HydrophobicContact CB-CD1 4.1Å; V4-L78 HydrophobicContact CG1-CD1 4.16Å; G7-L78 PolarHBondContact N-O 2.77Å; G8-L78 PolarHBondContact O-N 3.47Å; G8-L78 VanDerWaalsContact O-N 3.1Å; L10-L78 HydrophobicContact CB-CD1 3.88Å; F60-L78 HydrophobicContact CE1-CD2 4.09Å; F60-L78 HydrophobicContact CZ-CD2 4.25Å; M75-L78 HydrophobicContact CB-CD2 3.74Å; M75-L78 HydrophobicContact CB-CG 4.34Å; M75-L78 HydrophobicContact CE-CD2 3.33Å; T76-L78 VanDerWaalsContact C-N 3.28Å; T76-L78 PolarHBondContact O-N 2.86Å; L78-D82 HydrophobicContact CD2-CB 4.07Å
79	R	93.8	Very high	96.1	Very high	138 Å²	138	54.5 Å²	54.5	52%	0.521	29%	0.29	S	S	.	.			trans	-115.3	165	177.1	-53.4	176.6	-179.3	171.4	-1.5	110.4	E81 D82	R79-E81 WeakPolarHBondContact CB-OE2 3.04Å; R79-E81 PolarHBondContact O-N 2.81Å; R79-D82 PolarHBondContact N-OD2 3.23Å; R79-D82 WeakPolarHBondContact O-CB 3.46Å; R79-D82 PolarHBondContact O-N 2.99Å
80	S	90.9	Very high	96	Very high	81 Å²	81	57.1 Å²	57.1	57%	0.566	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-54	-38.7	174.2	26.3	0	0	0	0	112.2	D82 T83	S80-D82 PolarHBondContact O-N 2.88Å; S80-T83 VanDerWaalsContact O-CB 3.31Å; S80-T83 WeakPolarHBondContact O-CB 3.45Å; S80-T83 PolarHBondContact O-N 3.45Å; S80-T83 VanDerWaalsContact O-N 3.09Å; S80-T83 PolarHBondContact O-OG1 3.46Å
81	E	91.4	Very high	95.7	Very high	117 Å²	117	61.5 Å²	61.5	55%	0.547	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-68.4	-12.8	-179.3	-51	74.9	-124.3	0	0	113.2	R79 T83	R79-E81 WeakPolarHBondContact CB-OE2 3.04Å; R79-E81 PolarHBondContact O-N 2.81Å; E81-T83 VanDerWaalsContact C-N 3.28Å
82	D	93.8	Very high	95.6	Very high	9 Å²	9	64.6 Å²	64.6	5%	0.048	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-86.4	-0.2	175.3	-57.7	-49	0	0	0	112.9	R30 R59 F60 L78 R79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 3.38Å; R30-D82 PolarHBondContact NH1-OD1 3.09Å; R59-D82 IonicContact CZ-OD1 3.83Å; R59-D82 IonicContact CZ-OD2 2.94Å; R59-D82 IonicContact NH1-OD1 3.34Å; R59-D82 IonicContact NH1-OD2 2.68Å; R59-D82 PolarHBondContact NH1-OD2 2.86Å; R59-D82 IonicContact NH2-OD1 3.46Å; R59-D82 PolarHBondContact NH2-OD1 3.09Å; R59-D82 IonicContact NH2-OD2 2.91Å; R59-D82 PolarHBondContact NH2-OD2 3.05Å; F60-D82 HydrophobicContact CZ-CB 4.14Å; L78-D82 HydrophobicContact CD2-CB 4.07Å; R79-D82 PolarHBondContact N-OD2 3.23Å; R79-D82 WeakPolarHBondContact O-CB 3.46Å; R79-D82 PolarHBondContact O-N 2.99Å; S80-D82 PolarHBondContact O-N 2.88Å; D82-A84 PolarHBondContact O-N 3.08Å; D82-A84 VanDerWaalsContact O-N 3.11Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 3.03Å; D82-Y86 VanDerWaalsContact O-OH 3.06Å
83	T	93.8	Very high	95.4	Very high	107 Å²	107	65.9 Å²	65.9	66%	0.656	35%	0.347	S	S	*	.			trans	-72.9	104.6	176.6	-52.1	0	0	0	0	109.9	S80 E81	S80-T83 VanDerWaalsContact O-CB 3.31Å; S80-T83 WeakPolarHBondContact O-CB 3.45Å; S80-T83 PolarHBondContact O-N 3.45Å; S80-T83 VanDerWaalsContact O-N 3.09Å; S80-T83 PolarHBondContact O-OG1 3.46Å; E81-T83 VanDerWaalsContact C-N 3.28Å
84	A	95.1	Very high	95.3	Very high	14 Å²	14	69.6 Å²	69.6	12%	0.116	37%	0.366	C	S	.	.	S	Bend	trans	-157.4	167.2	-178.6	0	0	0	0	0	110.4	R30 Q31 A32 D82 Y86	R30-A84 HydrophobicContact CB-CB 3.82Å; R30-A84 HydrophobicContact CG-CB 4.07Å; Q31-A84 WeakPolarHBondContact O-CB 3.22Å; A32-A84 HydrophobicContact CB-CB 4.4Å; D82-A84 PolarHBondContact O-N 3.08Å; D82-A84 VanDerWaalsContact O-N 3.11Å; A84-Y86 HydrophobicContact CB-CD2 4.39Å; A84-Y86 HydrophobicContact CB-CE2 3.93Å; A84-Y86 VanDerWaalsContact O-CD2 3.27Å; A84-Y86 WeakPolarHBondContact O-CD2 3.36Å
85	M	96.2	Very high	95.1	Very high	118 Å²	118	70 Å²	70	58%	0.581	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	133.1	161.4	-67.6	-62.7	83.9	0	0	109.7	R30 Q31 Y87	R30-M85 CarbonylContact C-O 3.49Å; R30-M85 WeakPolarHBondContact CA-O 3.31Å; R30-M85 WeakPolarHBondContact CB-O 3.25Å; Q31-M85 PolarHBondContact N-O 3.18Å; Q31-M85 PolarHBondContact O-N 3.25Å; M85-Y87 HydrophobicContact CB-CE2 3.73Å; M85-Y87 WeakPolarHBondContact CB-OH 3.37Å
86	Y	97.3	Very high	95	Very high	41 Å²	41	74.1 Å²	74.1	16%	0.161	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.2	-176.8	-77.6	-102.5	0	0	0	109.9	L12 W28 V29 R30 V40 F60 L73 M75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 3.92Å; L12-Y86 HydrophobicContact CD1-CD2 4.17Å; L12-Y86 HydrophobicContact CD1-CG 3.63Å; W28-Y86 HydrophobicContact CE3-CD1 4.44Å; V29-Y86 CarbonylContact O-C 3.4Å; V29-Y86 WeakPolarHBondContact O-CA 3.43Å; R30-Y86 HydrophobicContact CB-CD1 3.89Å; R30-Y86 HydrophobicContact CB-CD2 4.3Å; R30-Y86 HydrophobicContact CB-CE1 3.82Å; R30-Y86 HydrophobicContact CB-CE2 4.21Å; R30-Y86 HydrophobicContact CB-CG 4.13Å; R30-Y86 WeakPolarHBondContact CD-OH 3.35Å; R30-Y86 HydrophobicContact CG-CE1 4.46Å; R30-Y86 PolarHBondContact NH1-OH 3.02Å; V40-Y86 HydrophobicContact CG1-CE1 4.32Å; V40-Y86 HydrophobicContact CG2-CE1 4.09Å; F60-Y86 HydrophobicContact CE2-CE1 4.4Å; L73-Y86 HydrophobicContact CD2-CD1 4.07Å; L73-Y86 HydrophobicContact CD2-CE1 4.07Å; M75-Y86 HydrophobicContact CE-CE1 4.03Å; M75-Y86 HydrophobicContact CE-CE2 4.04Å; M75-Y86 WeakPolarHBondContact CE-OH 3.38Å; M75-Y86 HydrophobicContact SD-CE1 4.42Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 3.03Å; D82-Y86 VanDerWaalsContact O-OH 3.06Å; A84-Y86 HydrophobicContact CB-CD2 4.39Å; A84-Y86 HydrophobicContact CB-CE2 3.93Å; A84-Y86 VanDerWaalsContact O-CD2 3.27Å; A84-Y86 WeakPolarHBondContact O-CD2 3.36Å
87	Y	97.3	Very high	94.9	Very high	105 Å²	105	75.9 Å²	75.9	41%	0.412	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.5	-177.1	-53	-83.3	0	0	0	109.5	W28 V29 Q31 L37 M85	W28-Y87 WeakPolarHBondContact CA-O 3.45Å; V29-Y87 PolarHBondContact N-O 3.32Å; V29-Y87 PolarHBondContact O-N 2.96Å; Q31-Y87 HydrophobicContact CB-CE2 3.99Å; L37-Y87 HydrophobicContact CD2-CD2 4.35Å; M85-Y87 HydrophobicContact CB-CE2 3.73Å; M85-Y87 WeakPolarHBondContact CB-OH 3.37Å
88	C	96.8	Very high	94.9	Very high	49 Å²	49	76.4 Å²	76.4	33%	0.331	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	142.1	165.9	49.8	0	0	0	0	109.4	C14 H27 L71	C14-C88 HydrophobicContact CB-CB 3.49Å; C14-C88 VanDerWaalsContact CB-CB 3.49Å; C14-C88 WeakPolarHBondContact CB-SG 3.28Å; C14-C88 WeakPolarHBondContact SG-CB 3.39Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.06Å; H27-C88 VanDerWaalsContact O-CA 3.31Å; H27-C88 WeakPolarHBondContact O-CA 3.39Å; L71-C88 HydrophobicContact CD2-CB 4.04Å
89	A	97.3	Very high	94.8	Very high	40 Å²	40	80.8 Å²	80.8	33%	0.331	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	149.2	175.1	0	0	0	0	0	109.8	H27	H27-A89 HydrophobicContact CB-CB 4.4Å; H27-A89 PolarHBondContact N-O 3.42Å; H27-A89 PolarHBondContact O-N 2.79Å
90	R	96.3	Very high	94.9	Very high	119 Å²	119	76 Å²	76	45%	0.449	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	159.4	169	68.8	170.6	-170.8	-139.4	1.6	110.2	F19 Y24 M26	F19-R90 HydrophobicContact CE2-CB 4.27Å; F19-R90 HydrophobicContact CZ-CB 4.31Å; Y24-R90 HydrophobicContact CG-CB 4.37Å; M26-R90 HydrophobicContact CE-CB 4.11Å; M26-R90 HydrophobicContact SD-CB 3.76Å
91	T	93.1	Very high	95.3	Very high	112 Å²	112	75.5 Å²	75.5	69%	0.687	39%	0.393	S	S	*	.			trans	-64	0	163.8	33.2	0	0	0	0	112.1	Y24 G25 H27 Y42	Y24-T91 VanDerWaalsContact CD1-O 3.23Å; Y24-T91 WeakPolarHBondContact CD1-O 3.5Å; G25-T91 PolarHBondContact N-OG1 2.74Å; G25-T91 PolarHBondContact O-N 3Å; G25-T91 PolarHBondContact O-OG1 3.13Å; H27-T91 WeakPolarHBondContact NE2-CG2 3.37Å; Y42-T91 HydrophobicContact CE2-CG2 4.19Å

Retrieved 91 of 91 residues in 23.5 ms (Link to these results)

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