X5J567_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J567, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 91 aa.

						>X5J567_MOUSE|X5J567
AELARPGASVKMSCKASGYTFTSYTMHWVKQRPGQGLEWIGYINPGSGYPKYNQKFKDKATLTADKSSSTAYIQLSSLTSEDSAVYYCARE
					

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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	A	65.5	Low	88.3	Confident	155 Å²	155	100.6 Å²	100.6	100%	1.281	60%	0.601	S	S	*	*				0	137	0	0	0	0	0	0	107.6
2	E	76.5	Confident	89	Confident	120 Å²	120	95.2 Å²	95.2	56%	0.561	57%	0.565	S	S	*	*			trans	-110.3	124.2	-178.9	-158	156	175	0	0	108.9	V10	E2-V10 HydrophobicContact CB-CG2 4.05Å; E2-V10 HydrophobicContact CG-CG2 3.45Å; E2-V10 VanDerWaalsContact CG-CG2 3.45Å; E2-V10 VanDerWaalsContact OE1-CG2 3.22Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.5Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.22Å
3	L	83.1	Confident	89.7	Confident	175 Å²	175	94.3 Å²	94.3	92%	0.916	57%	0.567	S	S	*	*			trans	-110.1	122.5	-179.9	-70.6	169.3	0	0	0	107.8
4	A	88.6	Confident	90.3	Very high	51 Å²	51	88.6 Å²	88.6	42%	0.421	53%	0.533	S	S	.	.			trans	-128	148.5	-178.6	0	0	0	0	0	110.2	A8 L78	A4-A8 HydrophobicContact CB-CB 4.32Å; A4-L78 HydrophobicContact CB-CD1 3.52Å
5	R	89.3	Confident	90.8	Very high	211 Å²	211	93.2 Å²	93.2	80%	0.796	54%	0.543	S	S	*	.			trans	-72.9	151.5	174.1	-62.9	-178.7	-176.2	-172.4	0.2	109.7	G7 A8	R5-G7 PolarHBondContact O-N 3.26Å; R5-A8 WeakPolarHBondContact O-CB 3.31Å; R5-A8 PolarHBondContact O-N 2.97Å
6	P	91.2	Very high	91.2	Very high	116 Å²	116	88 Å²	88	75%	0.753	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	139.8	169.5	-25.4	34.6	0	0	0	111.4	A8	P6-A8 PolarHBondContact O-N 3.3Å
7	G	92.4	Very high	91.5	Very high	53 Å²	53	88.8 Å²	88.8	55%	0.546	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-13.1	-176.3	0	0	0	0	0	115.3	R5 L78	R5-G7 PolarHBondContact O-N 3.26Å; G7-L78 PolarHBondContact N-O 2.92Å
8	A	95.5	Very high	91.8	Very high	37 Å²	37	88.8 Å²	88.8	31%	0.306	55%	0.548	S	S	.	.			trans	-70.5	169.6	174.9	0	0	0	0	0	111.7	A4 R5 P6 S77 L78	A4-A8 HydrophobicContact CB-CB 4.32Å; R5-A8 WeakPolarHBondContact O-CB 3.31Å; R5-A8 PolarHBondContact O-N 2.97Å; P6-A8 PolarHBondContact O-N 3.3Å; A8-S77 PolarHBondContact O-N 2.81Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.38Å; A8-L78 PolarHBondContact O-N 2.79Å
9	S	95.9	Very high	91.9	Very high	68 Å²	68	87.2 Å²	87.2	48%	0.476	53%	0.531	S	S	.	.			trans	-110.2	148.5	168.8	-56.9	0	0	0	0	110	L75 S76	S9-L75 CarbonylContact C-O 3.41Å; S9-L75 WeakPolarHBondContact CA-O 3.46Å; S9-L75 WeakPolarHBondContact CB-O 3.4Å; S9-S76 WeakPolarHBondContact OG-CA 3.47Å
10	V	96	Very high	92.2	Very high	15 Å²	15	87.3 Å²	87.3	9%	0.091	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140.4	178	69.5	0	0	0	0	109.7	E2 Q74 L75 L78	E2-V10 HydrophobicContact CB-CG2 4.05Å; E2-V10 HydrophobicContact CG-CG2 3.45Å; E2-V10 VanDerWaalsContact CG-CG2 3.45Å; E2-V10 VanDerWaalsContact OE1-CG2 3.22Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.5Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.22Å; V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.36Å; V10-L75 HydrophobicContact CG1-CB 3.96Å; V10-L75 HydrophobicContact CG1-CD1 4.34Å; V10-L75 PolarHBondContact N-O 3.08Å; V10-L75 PolarHBondContact O-N 3.15Å; V10-L78 HydrophobicContact CB-CD1 3.94Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; V10-L78 HydrophobicContact CG1-CD2 4.12Å; V10-L78 HydrophobicContact CG1-CG 4.41Å
11	K	96.9	Very high	92.4	Very high	106 Å²	106	83.4 Å²	83.4	46%	0.461	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	109.2	178.3	-173.7	-178.2	-179.9	-177.7	0	110	Y72 I73 Q74	K11-Y72 HydrophobicContact CD-CD1 4.47Å; K11-Y72 HydrophobicContact CG-CD1 4.44Å; K11-I73 CarbonylContact C-O 3.59Å; K11-I73 WeakPolarHBondContact CA-O 3.11Å; K11-Q74 HydrophobicContact CB-CB 4.47Å; K11-Q74 HydrophobicContact CG-CB 4.38Å
12	M	97.1	Very high	94	Very high	35 Å²	35	78.9 Å²	78.9	17%	0.172	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	150.6	177.6	-63	175.1	-70.9	0	0	110.4	W28 Y72 I73 L75 Y86	M12-W28 HydrophobicContact CB-CH2 4.39Å; M12-W28 HydrophobicContact CB-CZ3 4.43Å; M12-Y72 VanDerWaalsContact O-CA 3.26Å; M12-Y72 WeakPolarHBondContact O-CA 3.43Å; M12-I73 HydrophobicContact CB-CG2 3.86Å; M12-I73 HydrophobicContact CE-CG2 3.61Å; M12-I73 PolarHBondContact N-O 3.15Å; M12-I73 PolarHBondContact O-N 2.7Å; M12-I73 VanDerWaalsContact O-N 3.08Å; M12-L75 HydrophobicContact CE-CD1 3.73Å; M12-L75 HydrophobicContact CE-CG 4.41Å; M12-Y86 HydrophobicContact CE-CD1 3.81Å; M12-Y86 HydrophobicContact CE-CD2 3.82Å; M12-Y86 HydrophobicContact CE-CE1 4.31Å; M12-Y86 HydrophobicContact CE-CE2 4.32Å; M12-Y86 HydrophobicContact CE-CG 3.54Å; M12-Y86 HydrophobicContact SD-CD2 3.99Å; M12-Y86 HydrophobicContact SD-CG 4.02Å
13	S	97.9	Very high	95	Very high	84 Å²	84	77 Å²	77	59%	0.587	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.8	-179.3	70.1	0	0	0	0	111.5	A71 Y72	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.34Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å
14	C	98	Very high	95.6	Very high	14 Å²	14	72.9 Å²	72.9	10%	0.095	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	104.9	175.5	176.7	0	0	0	0	108.9	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.78Å; C14-W28 HydrophobicContact CB-CZ2 3.92Å; C14-T70 CarbonylContact O-C 3.53Å; C14-T70 WeakPolarHBondContact O-CA 3.44Å; C14-A71 PolarHBondContact N-O 3.21Å; C14-A71 PolarHBondContact O-N 3.44Å; C14-C88 HydrophobicContact CB-CB 3.47Å; C14-C88 VanDerWaalsContact CB-CB 3.47Å; C14-C88 WeakPolarHBondContact CB-SG 3.45Å; C14-C88 WeakPolarHBondContact SG-CB 3.3Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.88Å
15	K	98	Very high	96.1	Very high	158 Å²	158	71.1 Å²	71.1	69%	0.687	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.9	-179.4	-171.6	175	-176.6	178.3	0	110.3	T70	K15-T70 HydrophobicContact CB-CG2 4.48Å
16	A	97.3	Very high	96.5	Very high	10 Å²	10	61.2 Å²	61.2	8%	0.083	38%	0.384	C	S	.	.			trans	-84	151.4	175.3	0	0	0	0	0	111.6	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.98Å; A16-Y19 HydrophobicContact CB-CE2 4.09Å; A16-Y19 VanDerWaalsContact CB-CZ 3.48Å; A16-Y19 WeakPolarHBondContact CB-OH 3.45Å; A16-F21 HydrophobicContact CB-CB 4.44Å; A16-F21 HydrophobicContact CB-CD2 3.38Å; A16-F21 HydrophobicContact CB-CE2 3.91Å; A16-F21 HydrophobicContact CB-CG 4.22Å; A16-S69 WeakPolarHBondContact CB-O 3.39Å; A16-S69 PolarHBondContact N-O 3.24Å
17	S	96.6	Very high	96.8	Very high	102 Å²	102	57.7 Å²	57.7	71%	0.713	36%	0.357	S	S	*	.			trans	-153.7	155.4	171.9	60.6	0	0	0	0	110.5	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.39Å; S17-Y19 WeakPolarHBondContact O-CE1 3.49Å
18	G	96.4	Very high	97.1	Very high	89 Å²	89	55.4 Å²	55.4	92%	0.918	33%	0.332	S	S	*	.	S	Bend	trans	80.8	9.6	176.3	0	0	0	0	0	115.8
19	Y	94.6	Very high	97.3	Very high	57 Å²	57	54.7 Å²	54.7	22%	0.224	32%	0.324	C	S	.	.	S	Bend	trans	-158	165.8	175.2	60.4	-86.5	0	0	0	111.7	A16 S17 F21 Y24 R90	A16-Y19 HydrophobicContact CB-CE1 3.98Å; A16-Y19 HydrophobicContact CB-CE2 4.09Å; A16-Y19 VanDerWaalsContact CB-CZ 3.48Å; A16-Y19 WeakPolarHBondContact CB-OH 3.45Å; S17-Y19 WeakPolarHBondContact O-CD1 3.39Å; S17-Y19 WeakPolarHBondContact O-CE1 3.49Å; Y19-F21 HydrophobicContact CE2-CD2 4.41Å; Y19-F21 PolarHBondContact O-N 3.28Å; Y19-F21 VanDerWaalsContact O-N 3.08Å; Y19-Y24 AromaticContact CD2-CD2 3.57Å; Y19-Y24 HydrophobicContact CD2-CD2 3.57Å; Y19-Y24 AromaticContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CG 4.49Å; Y19-Y24 HydrophobicContact CE2-CD2 4.02Å; Y19-Y24 HydrophobicContact CG-CD2 4.47Å; Y19-Y24 HydrophobicContact CG-CE2 4.46Å; Y19-R90 HydrophobicContact CE2-CG 3.96Å
20	T	97	Very high	97.3	Very high	90 Å²	90	51.7 Å²	51.7	55%	0.552	30%	0.302	S	S	*	.			trans	-70.4	100.7	172.3	-54.8	0	0	0	0	109.8	T22 S23	T20-T22 PolarHBondContact O-N 2.69Å; T20-T22 VanDerWaalsContact O-N 3.15Å; T20-S23 WeakPolarHBondContact CB-OG 3.42Å; T20-S23 WeakPolarHBondContact CG2-OG 2.91Å; T20-S23 WeakPolarHBondContact O-CB 3.26Å; T20-S23 PolarHBondContact O-N 3.24Å
21	F	97.4	Very high	97.4	Very high	5 Å²	5	54.1 Å²	54.1	2%	0.022	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-53.6	-36.7	-173.8	177.9	-120.1	0	0	0	114.2	A16 Y19 S23 M26 P45 A64 A71	A16-F21 HydrophobicContact CB-CB 4.44Å; A16-F21 HydrophobicContact CB-CD2 3.38Å; A16-F21 HydrophobicContact CB-CE2 3.91Å; A16-F21 HydrophobicContact CB-CG 4.22Å; Y19-F21 HydrophobicContact CE2-CD2 4.41Å; Y19-F21 PolarHBondContact O-N 3.28Å; Y19-F21 VanDerWaalsContact O-N 3.08Å; F21-S23 VanDerWaalsContact C-N 3.25Å; F21-S23 PolarHBondContact O-N 2.84Å; F21-M26 HydrophobicContact CD2-CG 4.42Å; F21-M26 HydrophobicContact CD2-SD 4.46Å; F21-M26 HydrophobicContact CE2-CG 3.58Å; F21-M26 HydrophobicContact CE2-SD 3.99Å; F21-M26 HydrophobicContact CZ-CG 4.19Å; F21-P45 HydrophobicContact CD1-CB 3.74Å; F21-P45 HydrophobicContact CD1-CG 4.16Å; F21-P45 HydrophobicContact CD2-CG 4.33Å; F21-P45 HydrophobicContact CE1-CB 3.42Å; F21-P45 VanDerWaalsContact CE1-CB 3.42Å; F21-P45 HydrophobicContact CE1-CG 3.73Å; F21-P45 HydrophobicContact CE2-CB 4.5Å; F21-P45 HydrophobicContact CE2-CG 3.92Å; F21-P45 HydrophobicContact CG-CB 4.42Å; F21-P45 HydrophobicContact CG-CG 4.45Å; F21-P45 HydrophobicContact CZ-CB 3.84Å; F21-P45 HydrophobicContact CZ-CG 3.59Å; F21-A64 HydrophobicContact CE1-CB 4.15Å; F21-A64 HydrophobicContact CZ-CB 4.22Å; F21-A71 HydrophobicContact CE2-CB 4.43Å; F21-A71 HydrophobicContact CZ-CB 4.07Å
22	T	97.8	Very high	97.3	Very high	60 Å²	60	51.2 Å²	51.2	37%	0.368	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-74.7	-9.8	-179.1	50.4	0	0	0	0	114.6	T20 K66	T20-T22 PolarHBondContact O-N 2.69Å; T20-T22 VanDerWaalsContact O-N 3.15Å; T22-K66 HydrophobicContact CG2-CD 4.29Å; T22-K66 HydrophobicContact CG2-CG 4.01Å
23	S	97.1	Very high	97.2	Very high	80 Å²	80	55.2 Å²	55.2	56%	0.559	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-84.8	-9.9	-179.9	-59.9	0	0	0	0	113.9	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.42Å; T20-S23 WeakPolarHBondContact CG2-OG 2.91Å; T20-S23 WeakPolarHBondContact O-CB 3.26Å; T20-S23 PolarHBondContact O-N 3.24Å; F21-S23 VanDerWaalsContact C-N 3.25Å; F21-S23 PolarHBondContact O-N 2.84Å
24	Y	96.9	Very high	97	Very high	89 Å²	89	55.6 Å²	55.6	35%	0.349	35%	0.345	S	S	.	.	S	Bend	trans	-130.6	150.3	-173.5	-63.4	-87.9	0	0	0	111.6	Y19 P45 R90 E91	Y19-Y24 AromaticContact CD2-CD2 3.57Å; Y19-Y24 HydrophobicContact CD2-CD2 3.57Å; Y19-Y24 AromaticContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CG 4.49Å; Y19-Y24 HydrophobicContact CE2-CD2 4.02Å; Y19-Y24 HydrophobicContact CG-CD2 4.47Å; Y19-Y24 HydrophobicContact CG-CE2 4.46Å; Y24-P45 WeakPolarHBondContact O-CD 2.99Å; Y24-R90 HydrophobicContact CD1-CG 4.06Å; Y24-R90 HydrophobicContact CD2-CG 4.44Å; Y24-R90 HydrophobicContact CG-CG 3.76Å; Y24-E91 WeakPolarHBondContact CD1-O 3.42Å
25	T	97.9	Very high	96.8	Very high	14 Å²	14	59.1 Å²	59.1	9%	0.086	36%	0.36	C	S	.	.			trans	-78.3	146.9	169.2	61.9	0	0	0	0	110.1	H27 Y42 N44 E91	T25-H27 PolarHBondContact OG1-CD2 2.85Å; T25-H27 PolarHBondContact OG1-NE2 3.44Å; T25-H27 VanDerWaalsContact OG1-NE2 3.12Å; T25-Y42 HydrophobicContact CG2-CD2 4.09Å; T25-Y42 HydrophobicContact CG2-CE2 4.26Å; T25-N44 HydrophobicContact CG2-CB 4.18Å; T25-E91 PolarHBondContact O-N 2.88Å; T25-E91 VanDerWaalsContact OG1-CB 3.27Å; T25-E91 WeakPolarHBondContact OG1-CB 2.77Å; T25-E91 PolarHBondContact OG1-OE2 2.66Å
26	M	98.3	Very high	96.6	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.02	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	111.3	175.1	-67	-59.3	-53.7	0	0	109.2	F21 Y42 I43 P45 A71 C88 R90	F21-M26 HydrophobicContact CD2-CG 4.42Å; F21-M26 HydrophobicContact CD2-SD 4.46Å; F21-M26 HydrophobicContact CE2-CG 3.58Å; F21-M26 HydrophobicContact CE2-SD 3.99Å; F21-M26 HydrophobicContact CZ-CG 4.19Å; M26-Y42 CarbonylContact O-C 3.56Å; M26-Y42 WeakPolarHBondContact O-CA 2.98Å; M26-Y42 WeakPolarHBondContact O-CB 3.22Å; M26-I43 HydrophobicContact CB-CG2 3.99Å; M26-I43 PolarHBondContact N-O 2.81Å; M26-I43 PolarHBondContact O-N 3.14Å; M26-P45 HydrophobicContact CG-CG 4.04Å; M26-A71 HydrophobicContact CB-CB 3.93Å; M26-A71 HydrophobicContact CG-CB 4.02Å; M26-C88 HydrophobicContact CE-CB 4.24Å; M26-R90 HydrophobicContact SD-CB 4.24Å; M26-R90 HydrophobicContact SD-CG 4.3Å
27	H	98.6	Very high	96.6	Very high	41 Å²	41	59.4 Å²	59.4	19%	0.19	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	145.8	178.5	-69.4	-109.2	0	0	0	111	T25 W39 G41 Y42 C88 A89	T25-H27 PolarHBondContact OG1-CD2 2.85Å; T25-H27 PolarHBondContact OG1-NE2 3.44Å; T25-H27 VanDerWaalsContact OG1-NE2 3.12Å; H27-W39 AromaticContact CG-NE1 3.97Å; H27-W39 AromaticContact ND1-CD1 3.84Å; H27-W39 AromaticContact ND1-NE1 3.1Å; H27-W39 PolarHBondContact ND1-NE1 3.24Å; H27-W39 VanDerWaalsContact ND1-NE1 3.1Å; H27-G41 WeakPolarHBondContact CA-O 3.44Å; H27-Y42 AromaticContact CE1-CD1 3.86Å; H27-C88 CarbonylContact O-C 3.54Å; H27-C88 VanDerWaalsContact O-CA 3.22Å; H27-C88 WeakPolarHBondContact O-CA 3.49Å; H27-A89 HydrophobicContact CB-CB 4.41Å; H27-A89 PolarHBondContact N-O 3.23Å; H27-A89 PolarHBondContact O-N 2.63Å
28	W	98.6	Very high	96.6	Very high	6 Å²	6	56.2 Å²	56.2	2%	0.023	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.6	170.6	-71.5	92.4	0	0	0	110.3	M12 C14 I40 G41 L62 A71 I73 Y87 C88	M12-W28 HydrophobicContact CB-CH2 4.39Å; M12-W28 HydrophobicContact CB-CZ3 4.43Å; C14-W28 HydrophobicContact CB-CH2 3.78Å; C14-W28 HydrophobicContact CB-CZ2 3.92Å; W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.27Å; W28-I40 WeakPolarHBondContact O-CB 3.08Å; W28-I40 PolarHBondContact O-N 3.02Å; W28-G41 PolarHBondContact N-O 2.67Å; W28-L62 HydrophobicContact CG-CD2 4.1Å; W28-A71 HydrophobicContact CZ2-CB 4.41Å; W28-I73 HydrophobicContact CB-CD1 4.16Å; W28-I73 HydrophobicContact CD2-CB 3.75Å; W28-I73 HydrophobicContact CD2-CD1 4.39Å; W28-I73 HydrophobicContact CD2-CG2 3.65Å; W28-I73 HydrophobicContact CE3-CB 4.07Å; W28-I73 HydrophobicContact CE3-CG2 3.42Å; W28-I73 VanDerWaalsContact CE3-CG2 3.42Å; W28-I73 HydrophobicContact CG-CB 4.17Å; W28-I73 HydrophobicContact CG-CD1 4.22Å; W28-I73 HydrophobicContact CG-CG2 4.48Å; W28-I73 HydrophobicContact CH2-CB 4.34Å; W28-I73 HydrophobicContact CH2-CG2 3.58Å; W28-I73 HydrophobicContact CZ2-CB 4.05Å; W28-I73 HydrophobicContact CZ2-CG2 3.81Å; W28-I73 HydrophobicContact CZ3-CB 4.35Å; W28-I73 HydrophobicContact CZ3-CG2 3.38Å; W28-Y87 WeakPolarHBondContact CA-O 3.33Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ2-CB 4.47Å; W28-C88 HydrophobicContact CZ3-CB 4.19Å
29	V	98.3	Very high	96.7	Very high	22 Å²	22	55.7 Å²	55.7	13%	0.133	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.6	-175.4	-174.4	0	0	0	0	109.3	L37 E38 Y86 Y87	V29-L37 HydrophobicContact CG1-CB 3.73Å; V29-L37 HydrophobicContact CG1-CD2 3.88Å; V29-L37 HydrophobicContact CG1-CG 4.26Å; V29-E38 WeakPolarHBondContact CA-O 3.4Å; V29-Y86 WeakPolarHBondContact O-CA 3.36Å; V29-Y87 PolarHBondContact N-O 3.08Å; V29-Y87 PolarHBondContact O-N 3.43Å
30	K	97.4	Very high	96.9	Very high	4 Å²	4	53 Å²	53	2%	0.017	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.3	175.4	179.8	-179.4	179.2	178.7	0	109.6	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 2.71Å; K30-E38 PolarHBondContact O-N 2.87Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.2Å; K30-F56 HydrophobicContact CD-CE1 4.11Å; K30-F56 HydrophobicContact CD-CZ 4.28Å; K30-E81 VanDerWaalsContact CE-O 3.22Å; K30-E81 WeakPolarHBondContact CE-O 3.29Å; K30-E81 PolarHBondContact NZ-O 3.49Å; K30-D82 IonicContact NZ-OD1 3.41Å; K30-D82 PolarHBondContact NZ-OD1 3.39Å; K30-A84 HydrophobicContact CD-CB 4.19Å; K30-A84 HydrophobicContact CG-CB 3.49Å; K30-A84 VanDerWaalsContact CG-CB 3.49Å; K30-Y86 HydrophobicContact CB-CD1 4.18Å; K30-Y86 HydrophobicContact CB-CE1 3.89Å; K30-Y86 HydrophobicContact CD-CE1 4.04Å; K30-Y86 HydrophobicContact CG-CD1 4.44Å; K30-Y86 HydrophobicContact CG-CE1 3.83Å
31	Q	97.3	Very high	97	Very high	66 Å²	66	48.7 Å²	48.7	31%	0.308	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	116.7	172.4	-166.4	-179.4	24.4	0	0	110.8	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.93Å; Q31-A84 WeakPolarHBondContact O-CA 3.27Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; Q31-V85 PolarHBondContact N-O 3.4Å; Q31-V85 PolarHBondContact O-N 3.1Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.8Å; Q31-Y87 PolarHBondContact OE1-OH 3.49Å
32	R	95.5	Very high	97	Very high	45 Å²	45	51 Å²	51	17%	0.17	30%	0.296	C	S	.	.			trans	-88.9	147.7	171.7	-75.5	-176.1	-83.6	166.4	0.3	110.3	G34 Q35 E38 A84	R32-G34 PolarHBondContact O-N 3.1Å; R32-Q35 HydrophobicContact CB-CB 3.99Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 PolarHBondContact O-N 2.91Å; R32-E38 IonicContact CZ-OE1 2.69Å; R32-E38 IonicContact NE-OE1 3.75Å; R32-E38 PolarHBondContact NE-OE1 3.24Å; R32-E38 VanDerWaalsContact NE-OE1 3.15Å; R32-E38 IonicContact NH2-OE1 3.15Å; R32-E38 PolarHBondContact NH2-OE1 2.93Å; R32-E38 IonicContact NH2-OE2 3.39Å; R32-A84 HydrophobicContact CG-CB 3.91Å
33	P	93.7	Very high	97.1	Very high	119 Å²	119	48.3 Å²	48.3	77%	0.773	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	128.2	173.3	-25.2	34.3	0	0	0	111.1	Q35	P33-Q35 PolarHBondContact O-N 3.44Å
34	G	93.9	Very high	97.1	Very high	93 Å²	93	46.8 Å²	46.8	96%	0.959	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	5.3	-178.5	0	0	0	0	0	115.6	R32	R32-G34 PolarHBondContact O-N 3.1Å
35	Q	93.7	Very high	97.2	Very high	88 Å²	88	42.6 Å²	42.6	41%	0.411	25%	0.249	S	C	.	.	S	Bend	trans	-117	159.7	176.2	-58.7	-168.9	3	0	0	111.8	R32 P33	R32-Q35 HydrophobicContact CB-CB 3.99Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 PolarHBondContact O-N 2.91Å; P33-Q35 PolarHBondContact O-N 3.44Å
36	G	94.8	Very high	97.1	Very high	55 Å²	55	43.3 Å²	43.3	57%	0.567	26%	0.259	S	S	*	.			trans	-68.3	175.9	173.9	0	0	0	0	0	113.2
37	L	96.8	Very high	97.1	Very high	118 Å²	118	47 Å²	47	62%	0.618	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	125.6	173.3	-65.3	177.2	0	0	0	110.4	V29 Q31	V29-L37 HydrophobicContact CG1-CB 3.73Å; V29-L37 HydrophobicContact CG1-CD2 3.88Å; V29-L37 HydrophobicContact CG1-CG 4.26Å; Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.93Å
38	E	97.6	Very high	96.9	Very high	36 Å²	36	47.1 Å²	47.1	17%	0.168	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	112.1	174.3	-63.2	-173.5	-107.1	0	0	109.4	V29 K30 R32 I40 K55 F56	V29-E38 WeakPolarHBondContact CA-O 3.4Å; K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 2.71Å; K30-E38 PolarHBondContact O-N 2.87Å; R32-E38 IonicContact CZ-OE1 2.69Å; R32-E38 IonicContact NE-OE1 3.75Å; R32-E38 PolarHBondContact NE-OE1 3.24Å; R32-E38 VanDerWaalsContact NE-OE1 3.15Å; R32-E38 IonicContact NH2-OE1 3.15Å; R32-E38 PolarHBondContact NH2-OE1 2.93Å; R32-E38 IonicContact NH2-OE2 3.39Å; E38-I40 PolarHBondContact O-N 3.11Å; E38-K55 IonicContact OE2-NZ 2.79Å; E38-K55 PolarHBondContact OE2-NZ 2.87Å; E38-F56 HydrophobicContact CB-CZ 4.32Å
39	W	98.1	Very high	96.9	Very high	78 Å²	78	53.5 Å²	53.5	30%	0.295	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	125.6	176	-179.8	71.1	0	0	0	110.9	H27 G41 Y42 K51 N53	H27-W39 AromaticContact CG-NE1 3.97Å; H27-W39 AromaticContact ND1-CD1 3.84Å; H27-W39 AromaticContact ND1-NE1 3.1Å; H27-W39 PolarHBondContact ND1-NE1 3.24Å; H27-W39 VanDerWaalsContact ND1-NE1 3.1Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 2.93Å; W39-G41 VanDerWaalsContact NE1-O 3.1Å; W39-Y42 HydrophobicContact CH2-CD1 4.45Å; W39-Y42 AromaticContact CZ2-CD1 3.72Å; W39-Y42 HydrophobicContact CZ2-CD1 3.72Å; W39-Y42 HydrophobicContact CZ2-CE1 4.46Å; W39-Y42 HydrophobicContact CZ2-CG 4.5Å; W39-K51 HydrophobicContact CH2-CD 4.28Å; W39-K51 HydrophobicContact CH2-CG 4.21Å; W39-N53 HydrophobicContact CE3-CB 3.77Å; W39-N53 HydrophobicContact CZ3-CB 3.86Å; W39-N53 VanDerWaalsContact O-CB 3.26Å; W39-N53 WeakPolarHBondContact O-CB 3.3Å; W39-N53 PolarHBondContact O-ND2 3.1Å
40	I	98.3	Very high	96.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-46.3	-178.7	-59	175.6	0	0	0	110.6	W28 K30 E38 N53 F56 A60 I73 Y86	W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.27Å; W28-I40 WeakPolarHBondContact O-CB 3.08Å; W28-I40 PolarHBondContact O-N 3.02Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.2Å; E38-I40 PolarHBondContact O-N 3.11Å; I40-N53 WeakPolarHBondContact O-CB 3.46Å; I40-N53 PolarHBondContact O-N 2.02Å; I40-F56 HydrophobicContact CB-CD2 4.34Å; I40-F56 HydrophobicContact CB-CG 4.36Å; I40-F56 HydrophobicContact CG1-CD1 4.37Å; I40-F56 HydrophobicContact CG1-CD2 4.34Å; I40-F56 HydrophobicContact CG1-CE1 4.36Å; I40-F56 HydrophobicContact CG1-CE2 4.31Å; I40-F56 HydrophobicContact CG1-CG 4.36Å; I40-F56 HydrophobicContact CG1-CZ 4.32Å; I40-F56 HydrophobicContact CG2-CB 3.77Å; I40-F56 HydrophobicContact CG2-CD1 4.35Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.92Å; I40-A60 HydrophobicContact CG2-CB 3.84Å; I40-I73 HydrophobicContact CD1-CD1 3.73Å; I40-I73 HydrophobicContact CG2-CD1 3.92Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.76Å
41	G	98.4	Very high	96.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.8	179.6	-169.7	0	0	0	0	0	112.4	H27 W28 W39 K51	H27-G41 WeakPolarHBondContact CA-O 3.44Å; W28-G41 PolarHBondContact N-O 2.67Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 2.93Å; W39-G41 VanDerWaalsContact NE1-O 3.1Å; G41-K51 CarbonylContact C-O 3.54Å; G41-K51 WeakPolarHBondContact CA-O 3.16Å
42	Y	98.6	Very high	97	Very high	52 Å²	52	58.8 Å²	58.8	20%	0.204	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	159	166.5	71.5	-109	0	0	0	111.1	T25 M26 H27 W39 Y49 P50 K51 L62	T25-Y42 HydrophobicContact CG2-CD2 4.09Å; T25-Y42 HydrophobicContact CG2-CE2 4.26Å; M26-Y42 CarbonylContact O-C 3.56Å; M26-Y42 WeakPolarHBondContact O-CA 2.98Å; M26-Y42 WeakPolarHBondContact O-CB 3.22Å; H27-Y42 AromaticContact CE1-CD1 3.86Å; W39-Y42 HydrophobicContact CH2-CD1 4.45Å; W39-Y42 AromaticContact CZ2-CD1 3.72Å; W39-Y42 HydrophobicContact CZ2-CD1 3.72Å; W39-Y42 HydrophobicContact CZ2-CE1 4.46Å; W39-Y42 HydrophobicContact CZ2-CG 4.5Å; Y42-Y49 HydrophobicContact CE2-CD1 4.48Å; Y42-P50 CarbonylContact O-C 3.54Å; Y42-P50 VanDerWaalsContact O-CA 3.28Å; Y42-P50 WeakPolarHBondContact O-CA 2.98Å; Y42-K51 HydrophobicContact CD1-CB 4Å; Y42-K51 HydrophobicContact CD1-CD 4.41Å; Y42-K51 HydrophobicContact CD2-CB 4.41Å; Y42-K51 HydrophobicContact CE1-CB 3.54Å; Y42-K51 HydrophobicContact CE1-CD 3.49Å; Y42-K51 VanDerWaalsContact CE1-CD 3.49Å; Y42-K51 HydrophobicContact CE1-CG 4.12Å; Y42-K51 HydrophobicContact CE2-CB 3.98Å; Y42-K51 HydrophobicContact CG-CB 4.38Å; Y42-K51 PolarHBondContact N-O 2.91Å; Y42-K51 PolarHBondContact O-N 3.26Å; Y42-L62 WeakPolarHBondContact O-CD1 3.44Å
43	I	98.6	Very high	97.1	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.021	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.1	165.9	-179.1	66.3	0	0	0	108.2	M26 P45 G48 P50 L62 A64 A71	M26-I43 HydrophobicContact CB-CG2 3.99Å; M26-I43 PolarHBondContact N-O 2.81Å; M26-I43 PolarHBondContact O-N 3.14Å; I43-P45 VanDerWaalsContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.16Å; I43-G48 VanDerWaalsContact CD1-C 3.49Å; I43-G48 VanDerWaalsContact CD1-O 3.31Å; I43-G48 WeakPolarHBondContact CD1-O 2.96Å; I43-P50 HydrophobicContact CD1-CB 4.01Å; I43-L62 HydrophobicContact CB-CB 4.1Å; I43-A64 HydrophobicContact CG1-CB 3.99Å; I43-A64 HydrophobicContact CG2-CB 4.4Å; I43-A71 HydrophobicContact CG2-CB 4.3Å
44	N	98.2	Very high	97.2	Very high	49 Å²	49	60.3 Å²	60.3	26%	0.262	35%	0.346	S	S	.	.			trans	-84.8	109.3	166.3	-178.5	-47	0	0	0	107.6	T25 G46 S47 G48 Y49	T25-N44 HydrophobicContact CG2-CB 4.18Å; N44-G46 PolarHBondContact O-N 2.79Å; N44-G46 VanDerWaalsContact OD1-CA 3.31Å; N44-G46 WeakPolarHBondContact OD1-CA 3.41Å; N44-G46 PolarHBondContact OD1-N 2.88Å; N44-S47 WeakPolarHBondContact CB-OG 3.21Å; N44-S47 PolarHBondContact O-N 2.92Å; N44-S47 PolarHBondContact OD1-N 3.46Å; N44-G48 VanDerWaalsContact O-CA 3.25Å; N44-G48 WeakPolarHBondContact O-CA 3.17Å; N44-G48 PolarHBondContact O-N 3.28Å; N44-Y49 PolarHBondContact N-O 3.49Å
45	P	97.9	Very high	97.3	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.006	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.1	-177.8	-17.8	33.2	0	0	0	112.6	F21 Y24 M26 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.74Å; F21-P45 HydrophobicContact CD1-CG 4.16Å; F21-P45 HydrophobicContact CD2-CG 4.33Å; F21-P45 HydrophobicContact CE1-CB 3.42Å; F21-P45 VanDerWaalsContact CE1-CB 3.42Å; F21-P45 HydrophobicContact CE1-CG 3.73Å; F21-P45 HydrophobicContact CE2-CB 4.5Å; F21-P45 HydrophobicContact CE2-CG 3.92Å; F21-P45 HydrophobicContact CG-CB 4.42Å; F21-P45 HydrophobicContact CG-CG 4.45Å; F21-P45 HydrophobicContact CZ-CB 3.84Å; F21-P45 HydrophobicContact CZ-CG 3.59Å; Y24-P45 WeakPolarHBondContact O-CD 2.99Å; M26-P45 HydrophobicContact CG-CG 4.04Å; I43-P45 VanDerWaalsContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.16Å; P45-A64 HydrophobicContact CB-CB 3.93Å; P45-A64 HydrophobicContact CG-CB 4.32Å; P45-K66 WeakPolarHBondContact O-CE 3.4Å
46	G	96.9	Very high	97.4	Very high	28 Å²	28	57.5 Å²	57.5	29%	0.289	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-53.4	176.1	0	0	0	0	0	112.5	N44 K66	N44-G46 PolarHBondContact O-N 2.79Å; N44-G46 VanDerWaalsContact OD1-CA 3.31Å; N44-G46 WeakPolarHBondContact OD1-CA 3.41Å; N44-G46 PolarHBondContact OD1-N 2.88Å; G46-K66 WeakPolarHBondContact O-CE 3.15Å; G46-K66 PolarHBondContact O-NZ 3.08Å
47	S	97.1	Very high	97.4	Very high	82 Å²	82	60.2 Å²	60.2	57%	0.573	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-17.5	-179	63.3	0	0	0	0	114.6	N44 Y49	N44-S47 WeakPolarHBondContact CB-OG 3.21Å; N44-S47 PolarHBondContact O-N 2.92Å; N44-S47 PolarHBondContact OD1-N 3.46Å; S47-Y49 PolarHBondContact O-N 3.06Å; S47-Y49 WeakPolarHBondContact OG-CB 3.41Å; S47-Y49 PolarHBondContact OG-N 2.81Å
48	G	96.3	Very high	97.3	Very high	44 Å²	44	61.8 Å²	61.8	45%	0.454	31%	0.311	S	S	.	.			trans	72.6	10.6	-170.7	0	0	0	0	0	113.7	I43 N44 P50	I43-G48 VanDerWaalsContact CD1-C 3.49Å; I43-G48 VanDerWaalsContact CD1-O 3.31Å; I43-G48 WeakPolarHBondContact CD1-O 2.96Å; N44-G48 VanDerWaalsContact O-CA 3.25Å; N44-G48 WeakPolarHBondContact O-CA 3.17Å; N44-G48 PolarHBondContact O-N 3.28Å; G48-P50 VanDerWaalsContact O-CD 3.32Å; G48-P50 WeakPolarHBondContact O-CD 3.45Å
49	Y	97.3	Very high	97.2	Very high	140 Å²	140	61.9 Å²	61.9	55%	0.549	31%	0.311	S	S	.	.			trans	-82.9	119.6	-176.9	179.1	-97	0	0	0	112.1	Y42 N44 S47 K51	Y42-Y49 HydrophobicContact CE2-CD1 4.48Å; N44-Y49 PolarHBondContact N-O 3.49Å; S47-Y49 PolarHBondContact O-N 3.06Å; S47-Y49 WeakPolarHBondContact OG-CB 3.41Å; S47-Y49 PolarHBondContact OG-N 2.81Å; Y49-K51 HydrophobicContact CE1-CB 4.31Å
50	P	97.9	Very high	97.2	Very high	39 Å²	39	58.3 Å²	58.3	25%	0.253	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	147.2	172.9	35.8	-32.6	0	0	0	112	Y42 I43 G48 Y52 L62	Y42-P50 CarbonylContact O-C 3.54Å; Y42-P50 VanDerWaalsContact O-CA 3.28Å; Y42-P50 WeakPolarHBondContact O-CA 2.98Å; I43-P50 HydrophobicContact CD1-CB 4.01Å; G48-P50 VanDerWaalsContact O-CD 3.32Å; G48-P50 WeakPolarHBondContact O-CD 3.45Å; P50-Y52 HydrophobicContact CB-CD2 4.47Å; P50-Y52 HydrophobicContact CB-CE2 3.62Å; P50-Y52 HydrophobicContact CG-CE2 3.78Å; P50-L62 HydrophobicContact CB-CB 4.31Å
51	K	98.3	Very high	97.2	Very high	105 Å²	105	61.5 Å²	61.5	46%	0.457	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.9	164.8	-169.5	-178.3	-177.1	176.8	0	109.1	W39 G41 Y42 Y49	W39-K51 HydrophobicContact CH2-CD 4.28Å; W39-K51 HydrophobicContact CH2-CG 4.21Å; G41-K51 CarbonylContact C-O 3.54Å; G41-K51 WeakPolarHBondContact CA-O 3.16Å; Y42-K51 HydrophobicContact CD1-CB 4Å; Y42-K51 HydrophobicContact CD1-CD 4.41Å; Y42-K51 HydrophobicContact CD2-CB 4.41Å; Y42-K51 HydrophobicContact CE1-CB 3.54Å; Y42-K51 HydrophobicContact CE1-CD 3.49Å; Y42-K51 VanDerWaalsContact CE1-CD 3.49Å; Y42-K51 HydrophobicContact CE1-CG 4.12Å; Y42-K51 HydrophobicContact CE2-CB 3.98Å; Y42-K51 HydrophobicContact CG-CB 4.38Å; Y42-K51 PolarHBondContact N-O 2.91Å; Y42-K51 PolarHBondContact O-N 3.26Å; Y49-K51 HydrophobicContact CE1-CB 4.31Å
52	Y	98.4	Very high	97.2	Very high	59 Å²	59	61.9 Å²	61.9	23%	0.231	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.3	-177.5	-60.6	-88.7	0	0	0	111	P50 A60 L62	P50-Y52 HydrophobicContact CB-CD2 4.47Å; P50-Y52 HydrophobicContact CB-CE2 3.62Å; P50-Y52 HydrophobicContact CG-CE2 3.78Å; Y52-A60 HydrophobicContact CE1-CB 4.44Å; Y52-A60 WeakPolarHBondContact CE1-O 3.26Å; Y52-L62 HydrophobicContact CD1-CD1 4.43Å; Y52-L62 HydrophobicContact CD1-CG 4.4Å; Y52-L62 HydrophobicContact CE1-CB 4.4Å; Y52-L62 HydrophobicContact CE1-CD1 4.1Å; Y52-L62 HydrophobicContact CE1-CG 3.66Å; Y52-L62 PolarHBondContact OH-N 2.98Å
53	N	97.8	Very high	97.2	Very high	55 Å²	55	62.3 Å²	62.3	29%	0.294	33%	0.328	S	S	.	.			trans	-71.2	136.9	154.6	179.1	-22.8	0	0	0	108.5	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.77Å; W39-N53 HydrophobicContact CZ3-CB 3.86Å; W39-N53 VanDerWaalsContact O-CB 3.26Å; W39-N53 WeakPolarHBondContact O-CB 3.3Å; W39-N53 PolarHBondContact O-ND2 3.1Å; I40-N53 WeakPolarHBondContact O-CB 3.46Å; I40-N53 PolarHBondContact O-N 2.02Å; N53-K55 PolarHBondContact O-N 2.79Å; N53-K55 VanDerWaalsContact O-N 3.1Å; N53-K55 PolarHBondContact OD1-N 2.85Å; N53-K55 VanDerWaalsContact OD1-N 3.11Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.12Å; N53-K57 PolarHBondContact O-N 2.88Å
54	Q	96.7	Very high	97.2	Very high	141 Å²	141	63.7 Å²	63.7	66%	0.659	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-54.4	-33.6	-176.4	-168.6	61.9	21.7	0	0	112.9	F56	Q54-F56 PolarHBondContact O-N 2.97Å
55	K	94.9	Very high	97.2	Very high	115 Å²	115	64 Å²	64	50%	0.5	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-61.2	-27.6	177.3	-177.4	176.6	176.9	-178	0	113.6	E38 N53	E38-K55 IonicContact OE2-NZ 2.79Å; E38-K55 PolarHBondContact OE2-NZ 2.87Å; N53-K55 PolarHBondContact O-N 2.79Å; N53-K55 VanDerWaalsContact O-N 3.1Å; N53-K55 PolarHBondContact OD1-N 2.85Å; N53-K55 VanDerWaalsContact OD1-N 3.11Å
56	F	96.4	Very high	97.2	Very high	6 Å²	6	69.6 Å²	69.6	3%	0.026	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-113.4	-0.4	-172.5	-59.8	-82.7	0	0	0	113.5	K30 E38 I40 N53 Q54 D58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.11Å; K30-F56 HydrophobicContact CD-CZ 4.28Å; E38-F56 HydrophobicContact CB-CZ 4.32Å; I40-F56 HydrophobicContact CB-CD2 4.34Å; I40-F56 HydrophobicContact CB-CG 4.36Å; I40-F56 HydrophobicContact CG1-CD1 4.37Å; I40-F56 HydrophobicContact CG1-CD2 4.34Å; I40-F56 HydrophobicContact CG1-CE1 4.36Å; I40-F56 HydrophobicContact CG1-CE2 4.31Å; I40-F56 HydrophobicContact CG1-CG 4.36Å; I40-F56 HydrophobicContact CG1-CZ 4.32Å; I40-F56 HydrophobicContact CG2-CB 3.77Å; I40-F56 HydrophobicContact CG2-CD1 4.35Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.92Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.12Å; Q54-F56 PolarHBondContact O-N 2.97Å; F56-D58 VanDerWaalsContact C-N 3.29Å; F56-D58 PolarHBondContact O-N 2.69Å; F56-K59 PolarHBondContact O-N 3.28Å; F56-A60 HydrophobicContact CB-CB 4.34Å; F56-A60 PolarHBondContact O-N 3.24Å
57	K	94.8	Very high	97.1	Very high	113 Å²	113	73.4 Å²	73.4	49%	0.491	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-39	-172.4	-170.4	179.6	-179.5	-176.8	0	113.5	N53	N53-K57 PolarHBondContact O-N 2.88Å
58	D	95.3	Very high	97.2	Very high	150 Å²	150	71.3 Å²	71.3	80%	0.802	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-4.2	180	-53.6	-41.1	0	0	0	112.7	F56	F56-D58 VanDerWaalsContact C-N 3.29Å; F56-D58 PolarHBondContact O-N 2.69Å
59	K	96.1	Very high	97.3	Very high	39 Å²	39	71 Å²	71	17%	0.17	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-37.6	-173.3	-169	74	177.3	-160.2	0	112.6	F56 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 3.28Å; K59-L75 HydrophobicContact CG-CD2 4.46Å; K59-L75 WeakPolarHBondContact O-CA 3.46Å; K59-S76 WeakPolarHBondContact CD-O 3.22Å; K59-S76 WeakPolarHBondContact CE-O 2.9Å; K59-S76 PolarHBondContact NZ-O 3.03Å; K59-S76 PolarHBondContact O-N 3.27Å; K59-S77 PolarHBondContact NZ-O 2.85Å; K59-D82 WeakPolarHBondContact CE-OD2 3.43Å; K59-D82 IonicContact NZ-OD2 2.71Å; K59-D82 PolarHBondContact NZ-OD2 3.32Å
60	A	97.8	Very high	97.3	Very high	2 Å²	2	64.7 Å²	64.7	2%	0.017	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.3	-172.4	0	0	0	0	0	111.2	I40 Y52 F56 I73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.84Å; Y52-A60 HydrophobicContact CE1-CB 4.44Å; Y52-A60 WeakPolarHBondContact CE1-O 3.26Å; F56-A60 HydrophobicContact CB-CB 4.34Å; F56-A60 PolarHBondContact O-N 3.24Å; A60-I73 HydrophobicContact CB-CD1 4.1Å; A60-I73 HydrophobicContact CB-CG1 4.29Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.45Å; A60-L75 HydrophobicContact CB-CD2 3.84Å
61	T	98.4	Very high	97.4	Very high	68 Å²	68	62.8 Å²	62.8	42%	0.417	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.5	168	-56.9	0	0	0	0	108.6	T63 I73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.3Å; T61-I73 WeakPolarHBondContact O-CA 3.5Å; T61-Q74 PolarHBondContact N-O 3Å; T61-Q74 PolarHBondContact O-N 2.84Å
62	L	98.6	Very high	97.4	Very high	7 Å²	7	60.3 Å²	60.3	4%	0.037	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.6	178.3	-52	-176.7	0	0	0	110.5	W28 Y42 I43 P50 Y52 Y72 I73	W28-L62 HydrophobicContact CG-CD2 4.1Å; Y42-L62 WeakPolarHBondContact O-CD1 3.44Å; I43-L62 HydrophobicContact CB-CB 4.1Å; P50-L62 HydrophobicContact CB-CB 4.31Å; Y52-L62 HydrophobicContact CD1-CD1 4.43Å; Y52-L62 HydrophobicContact CD1-CG 4.4Å; Y52-L62 HydrophobicContact CE1-CB 4.4Å; Y52-L62 HydrophobicContact CE1-CD1 4.1Å; Y52-L62 HydrophobicContact CE1-CG 3.66Å; Y52-L62 PolarHBondContact OH-N 2.98Å; L62-Y72 WeakPolarHBondContact CA-O 3.33Å; L62-I73 HydrophobicContact CD2-CB 3.84Å; L62-I73 HydrophobicContact CD2-CD1 3.85Å; L62-I73 HydrophobicContact CD2-CG1 3.66Å
63	T	98.5	Very high	97.4	Very high	61 Å²	61	57.5 Å²	57.5	37%	0.374	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	163.2	175.8	57.2	0	0	0	0	110.9	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.3Å; T63-Y72 PolarHBondContact N-O 2.84Å; T63-Y72 PolarHBondContact O-N 3.06Å
64	A	98.3	Very high	97.4	Very high	34 Å²	34	58.6 Å²	58.6	28%	0.281	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	138	175.9	0	0	0	0	0	110.5	F21 I43 P45 T70	F21-A64 HydrophobicContact CE1-CB 4.15Å; F21-A64 HydrophobicContact CZ-CB 4.22Å; I43-A64 HydrophobicContact CG1-CB 3.99Å; I43-A64 HydrophobicContact CG2-CB 4.4Å; P45-A64 HydrophobicContact CB-CB 3.93Å; P45-A64 HydrophobicContact CG-CB 4.32Å; A64-T70 CarbonylContact C-O 3.51Å; A64-T70 WeakPolarHBondContact CA-O 3.28Å
65	D	98	Very high	97.4	Very high	54 Å²	54	51.9 Å²	51.9	29%	0.289	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	111.8	170.5	174.9	10.2	0	0	0	109.1	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 PolarHBondContact O-N 2.85Å; D65-S67 WeakPolarHBondContact OD1-CB 3.47Å; D65-S67 PolarHBondContact OD1-N 2.89Å; D65-S67 PolarHBondContact OD1-OG 2.95Å; D65-S67 PolarHBondContact OD2-OG 2.77Å; D65-S68 WeakPolarHBondContact CB-OG 3.4Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.28Å; D65-S68 PolarHBondContact OD2-OG 2.91Å; D65-S69 WeakPolarHBondContact O-CA 3.44Å; D65-S69 PolarHBondContact O-N 2.87Å; D65-S69 VanDerWaalsContact O-N 3.08Å; D65-T70 PolarHBondContact N-O 3Å; D65-T70 PolarHBondContact O-N 2.95Å; D65-Y72 HydrophobicContact CB-CE2 4Å
66	K	96.8	Very high	97.5	Very high	119 Å²	119	47.8 Å²	47.8	52%	0.517	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-35.1	179.9	-64.3	175.5	173.8	177.2	0	111.9	T22 P45 G46 S69	T22-K66 HydrophobicContact CG2-CD 4.29Å; T22-K66 HydrophobicContact CG2-CG 4.01Å; P45-K66 WeakPolarHBondContact O-CE 3.4Å; G46-K66 WeakPolarHBondContact O-CE 3.15Å; G46-K66 PolarHBondContact O-NZ 3.08Å; K66-S69 PolarHBondContact O-N 3.27Å
67	S	96.6	Very high	97.4	Very high	109 Å²	109	51.3 Å²	51.3	76%	0.762	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-40.7	-174.1	70.8	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 PolarHBondContact O-N 2.85Å; D65-S67 WeakPolarHBondContact OD1-CB 3.47Å; D65-S67 PolarHBondContact OD1-N 2.89Å; D65-S67 PolarHBondContact OD1-OG 2.95Å; D65-S67 PolarHBondContact OD2-OG 2.77Å
68	S	97.8	Very high	97.5	Very high	37 Å²	37	46.9 Å²	46.9	26%	0.259	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-2	177.8	66.7	0	0	0	0	113.8	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.4Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.28Å; D65-S68 PolarHBondContact OD2-OG 2.91Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 3Å; S68-T70 PolarHBondContact O-OG1 2.88Å; S68-T70 WeakPolarHBondContact OG-CB 3.16Å; S68-T70 PolarHBondContact OG-OG1 2.86Å
69	S	98.1	Very high	97.4	Very high	37 Å²	37	43 Å²	43	26%	0.259	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	43.9	-172.2	-62.9	0	0	0	0	112.7	A16 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.39Å; A16-S69 PolarHBondContact N-O 3.24Å; D65-S69 WeakPolarHBondContact O-CA 3.44Å; D65-S69 PolarHBondContact O-N 2.87Å; D65-S69 VanDerWaalsContact O-N 3.08Å; K66-S69 PolarHBondContact O-N 3.27Å
70	T	98.6	Very high	97.2	Very high	8 Å²	8	46.3 Å²	46.3	5%	0.049	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127	-174.2	-51	0	0	0	0	111	C14 K15 A64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.53Å; C14-T70 WeakPolarHBondContact O-CA 3.44Å; K15-T70 HydrophobicContact CB-CG2 4.48Å; A64-T70 CarbonylContact C-O 3.51Å; A64-T70 WeakPolarHBondContact CA-O 3.28Å; D65-T70 PolarHBondContact N-O 3Å; D65-T70 PolarHBondContact O-N 2.95Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 3Å; S68-T70 PolarHBondContact O-OG1 2.88Å; S68-T70 WeakPolarHBondContact OG-CB 3.16Å; S68-T70 PolarHBondContact OG-OG1 2.86Å; T70-Y72 HydrophobicContact CG2-CD1 4.34Å; T70-Y72 HydrophobicContact CG2-CD2 4.39Å; T70-Y72 HydrophobicContact CG2-CE1 3.72Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.42Å
71	A	98.5	Very high	96.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	149.6	167.2	0	0	0	0	0	110.1	S13 C14 F21 M26 W28 I43	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.34Å; C14-A71 PolarHBondContact N-O 3.21Å; C14-A71 PolarHBondContact O-N 3.44Å; F21-A71 HydrophobicContact CE2-CB 4.43Å; F21-A71 HydrophobicContact CZ-CB 4.07Å; M26-A71 HydrophobicContact CB-CB 3.93Å; M26-A71 HydrophobicContact CG-CB 4.02Å; W28-A71 HydrophobicContact CZ2-CB 4.41Å; I43-A71 HydrophobicContact CG2-CB 4.3Å
72	Y	98.5	Very high	96.7	Very high	52 Å²	52	49.3 Å²	49.3	20%	0.204	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.8	178	-56.2	-89.9	0	0	0	111.1	K11 M12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.47Å; K11-Y72 HydrophobicContact CG-CD1 4.44Å; M12-Y72 VanDerWaalsContact O-CA 3.26Å; M12-Y72 WeakPolarHBondContact O-CA 3.43Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; L62-Y72 WeakPolarHBondContact CA-O 3.33Å; T63-Y72 PolarHBondContact N-O 2.84Å; T63-Y72 PolarHBondContact O-N 3.06Å; D65-Y72 HydrophobicContact CB-CE2 4Å; T70-Y72 HydrophobicContact CG2-CD1 4.34Å; T70-Y72 HydrophobicContact CG2-CD2 4.39Å; T70-Y72 HydrophobicContact CG2-CE1 3.72Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.42Å
73	I	98.3	Very high	96.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.8	162.7	-177.9	168.6	0	0	0	108.1	K11 M12 W28 I40 A60 T61 L62 L75	K11-I73 CarbonylContact C-O 3.59Å; K11-I73 WeakPolarHBondContact CA-O 3.11Å; M12-I73 HydrophobicContact CB-CG2 3.86Å; M12-I73 HydrophobicContact CE-CG2 3.61Å; M12-I73 PolarHBondContact N-O 3.15Å; M12-I73 PolarHBondContact O-N 2.7Å; M12-I73 VanDerWaalsContact O-N 3.08Å; W28-I73 HydrophobicContact CB-CD1 4.16Å; W28-I73 HydrophobicContact CD2-CB 3.75Å; W28-I73 HydrophobicContact CD2-CD1 4.39Å; W28-I73 HydrophobicContact CD2-CG2 3.65Å; W28-I73 HydrophobicContact CE3-CB 4.07Å; W28-I73 HydrophobicContact CE3-CG2 3.42Å; W28-I73 VanDerWaalsContact CE3-CG2 3.42Å; W28-I73 HydrophobicContact CG-CB 4.17Å; W28-I73 HydrophobicContact CG-CD1 4.22Å; W28-I73 HydrophobicContact CG-CG2 4.48Å; W28-I73 HydrophobicContact CH2-CB 4.34Å; W28-I73 HydrophobicContact CH2-CG2 3.58Å; W28-I73 HydrophobicContact CZ2-CB 4.05Å; W28-I73 HydrophobicContact CZ2-CG2 3.81Å; W28-I73 HydrophobicContact CZ3-CB 4.35Å; W28-I73 HydrophobicContact CZ3-CG2 3.38Å; I40-I73 HydrophobicContact CD1-CD1 3.73Å; I40-I73 HydrophobicContact CG2-CD1 3.92Å; A60-I73 HydrophobicContact CB-CD1 4.1Å; A60-I73 HydrophobicContact CB-CG1 4.29Å; T61-I73 WeakPolarHBondContact O-CA 3.5Å; L62-I73 HydrophobicContact CD2-CB 3.84Å; L62-I73 HydrophobicContact CD2-CD1 3.85Å; L62-I73 HydrophobicContact CD2-CG1 3.66Å; I73-L75 HydrophobicContact CD1-CD2 3.87Å; I73-L75 HydrophobicContact CD1-CG 4.26Å; I73-L75 HydrophobicContact CG1-CD2 4.16Å; I73-L75 HydrophobicContact CG1-CG 4.23Å
74	Q	98.1	Very high	96.4	Very high	78 Å²	78	51.9 Å²	51.9	36%	0.364	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.2	167.3	-178	174.2	-29.5	0	0	108.7	V10 K11 A60 T61	V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.36Å; K11-Q74 HydrophobicContact CB-CB 4.47Å; K11-Q74 HydrophobicContact CG-CB 4.38Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.45Å; T61-Q74 PolarHBondContact N-O 3Å; T61-Q74 PolarHBondContact O-N 2.84Å
75	L	97.5	Very high	96.3	Very high	1 Å²	1	54 Å²	54	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.7	173.7	-63.3	170.3	0	0	0	108.7	S9 V10 M12 K59 A60 I73 L78 Y86	S9-L75 CarbonylContact C-O 3.41Å; S9-L75 WeakPolarHBondContact CA-O 3.46Å; S9-L75 WeakPolarHBondContact CB-O 3.4Å; V10-L75 HydrophobicContact CG1-CB 3.96Å; V10-L75 HydrophobicContact CG1-CD1 4.34Å; V10-L75 PolarHBondContact N-O 3.08Å; V10-L75 PolarHBondContact O-N 3.15Å; M12-L75 HydrophobicContact CE-CD1 3.73Å; M12-L75 HydrophobicContact CE-CG 4.41Å; K59-L75 HydrophobicContact CG-CD2 4.46Å; K59-L75 WeakPolarHBondContact O-CA 3.46Å; A60-L75 HydrophobicContact CB-CD2 3.84Å; I73-L75 HydrophobicContact CD1-CD2 3.87Å; I73-L75 HydrophobicContact CD1-CG 4.26Å; I73-L75 HydrophobicContact CG1-CD2 4.16Å; I73-L75 HydrophobicContact CG1-CG 4.23Å; L75-L78 HydrophobicContact CB-CD2 3.76Å; L75-L78 HydrophobicContact CD1-CD2 4.38Å; L75-Y86 HydrophobicContact CD1-CD1 4.29Å; L75-Y86 HydrophobicContact CD1-CE1 3.53Å; L75-Y86 HydrophobicContact CD1-CE2 4.22Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.49Å
76	S	96.3	Very high	96.3	Very high	29 Å²	29	53.4 Å²	53.4	20%	0.203	32%	0.315	C	S	.	.			trans	-105.6	155.4	-176.3	-55.4	0	0	0	0	111.7	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.47Å; K59-S76 WeakPolarHBondContact CD-O 3.22Å; K59-S76 WeakPolarHBondContact CE-O 2.9Å; K59-S76 PolarHBondContact NZ-O 3.03Å; K59-S76 PolarHBondContact O-N 3.27Å; S76-L78 PolarHBondContact O-N 3.01Å
77	S	95.4	Very high	96.4	Very high	79 Å²	79	52.8 Å²	52.8	55%	0.552	31%	0.311	S	S	*	.	S	Bend	trans	51.9	48.8	172	-54.5	0	0	0	0	113.4	A8 K59	A8-S77 PolarHBondContact O-N 2.81Å; K59-S77 PolarHBondContact NZ-O 2.85Å
78	L	95.3	Very high	96.4	Very high	20 Å²	20	50 Å²	50	11%	0.105	29%	0.29	C	S	.	.			trans	-56	140.6	-170.1	-69.8	171.3	0	0	0	113.5	A4 G7 A8 V10 L75 S76 D82	A4-L78 HydrophobicContact CB-CD1 3.52Å; G7-L78 PolarHBondContact N-O 2.92Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.38Å; A8-L78 PolarHBondContact O-N 2.79Å; V10-L78 HydrophobicContact CB-CD1 3.94Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; V10-L78 HydrophobicContact CG1-CD2 4.12Å; V10-L78 HydrophobicContact CG1-CG 4.41Å; L75-L78 HydrophobicContact CB-CD2 3.76Å; L75-L78 HydrophobicContact CD1-CD2 4.38Å; S76-L78 PolarHBondContact O-N 3.01Å; L78-D82 WeakPolarHBondContact CA-OD2 3.44Å; L78-D82 HydrophobicContact CD2-CB 3.7Å
79	T	94.4	Very high	96.4	Very high	70 Å²	70	50.4 Å²	50.4	43%	0.429	30%	0.296	S	S	.	.			trans	-119.6	172.9	172.6	69.5	0	0	0	0	110.4	E81 D82	T79-E81 PolarHBondContact O-N 2.8Å; T79-E81 PolarHBondContact OG1-N 3.04Å; T79-D82 PolarHBondContact N-OD2 2.76Å; T79-D82 WeakPolarHBondContact O-CB 3.31Å; T79-D82 PolarHBondContact O-N 2.87Å; T79-D82 PolarHBondContact OG1-OD2 3.31Å
80	S	92	Very high	96.3	Very high	108 Å²	108	54.4 Å²	54.4	76%	0.755	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-58.4	-29	175.2	51.7	0	0	0	0	112.7	D82 S83	S80-D82 PolarHBondContact O-N 2.8Å; S80-S83 WeakPolarHBondContact O-CB 3.25Å; S80-S83 PolarHBondContact O-N 3.34Å
81	E	91.3	Very high	96	Very high	116 Å²	116	61.5 Å²	61.5	54%	0.542	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-67	-20.6	176.9	-60.2	-169.5	165.3	0	0	113.1	K30 T79 S83	K30-E81 VanDerWaalsContact CE-O 3.22Å; K30-E81 WeakPolarHBondContact CE-O 3.29Å; K30-E81 PolarHBondContact NZ-O 3.49Å; T79-E81 PolarHBondContact O-N 2.8Å; T79-E81 PolarHBondContact OG1-N 3.04Å; E81-S83 VanDerWaalsContact C-N 3.29Å
82	D	94.3	Very high	95.8	Very high	16 Å²	16	64.6 Å²	64.6	9%	0.086	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-80.7	-8.7	178.6	-61	-46.5	0	0	0	113.5	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.41Å; K30-D82 PolarHBondContact NZ-OD1 3.39Å; K59-D82 WeakPolarHBondContact CE-OD2 3.43Å; K59-D82 IonicContact NZ-OD2 2.71Å; K59-D82 PolarHBondContact NZ-OD2 3.32Å; L78-D82 WeakPolarHBondContact CA-OD2 3.44Å; L78-D82 HydrophobicContact CD2-CB 3.7Å; T79-D82 PolarHBondContact N-OD2 2.76Å; T79-D82 WeakPolarHBondContact O-CB 3.31Å; T79-D82 PolarHBondContact O-N 2.87Å; T79-D82 PolarHBondContact OG1-OD2 3.31Å; S80-D82 PolarHBondContact O-N 2.8Å; D82-A84 PolarHBondContact O-N 3.44Å; D82-A84 VanDerWaalsContact O-N 3.14Å; D82-Y86 WeakPolarHBondContact O-CE2 3.32Å; D82-Y86 PolarHBondContact O-OH 3.16Å
83	S	94.8	Very high	95.7	Very high	95 Å²	95	65.2 Å²	65.2	66%	0.664	36%	0.363	S	S	*	.			trans	-68.6	108.4	173.2	-169.4	0	0	0	0	110.5	S80 E81	S80-S83 WeakPolarHBondContact O-CB 3.25Å; S80-S83 PolarHBondContact O-N 3.34Å; E81-S83 VanDerWaalsContact C-N 3.29Å
84	A	95.9	Very high	95.6	Very high	28 Å²	28	68.8 Å²	68.8	23%	0.231	38%	0.383	C	S	.	.	S	Bend	trans	-164.4	169	-172.2	0	0	0	0	0	110.5	K30 Q31 R32 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.19Å; K30-A84 HydrophobicContact CG-CB 3.49Å; K30-A84 VanDerWaalsContact CG-CB 3.49Å; Q31-A84 WeakPolarHBondContact O-CA 3.27Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; R32-A84 HydrophobicContact CG-CB 3.91Å; D82-A84 PolarHBondContact O-N 3.44Å; D82-A84 VanDerWaalsContact O-N 3.14Å; A84-Y86 HydrophobicContact CB-CD2 4.47Å; A84-Y86 HydrophobicContact CB-CE2 3.91Å; A84-Y86 WeakPolarHBondContact O-CD2 3.31Å
85	V	96.9	Very high	95.4	Very high	78 Å²	78	68.3 Å²	68.3	47%	0.473	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	134	162	-172.5	0	0	0	0	108.3	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.4Å; Q31-V85 PolarHBondContact O-N 3.1Å; V85-Y87 HydrophobicContact CB-CE2 3.89Å; V85-Y87 HydrophobicContact CG1-CD2 4.26Å; V85-Y87 HydrophobicContact CG1-CE1 3.9Å; V85-Y87 HydrophobicContact CG1-CE2 3.57Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.44Å
86	Y	97.6	Very high	95.3	Very high	42 Å²	42	72.5 Å²	72.5	17%	0.165	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130	176.6	-68.9	-95.1	0	0	0	109.4	M12 V29 K30 I40 L75 D82 A84	M12-Y86 HydrophobicContact CE-CD1 3.81Å; M12-Y86 HydrophobicContact CE-CD2 3.82Å; M12-Y86 HydrophobicContact CE-CE1 4.31Å; M12-Y86 HydrophobicContact CE-CE2 4.32Å; M12-Y86 HydrophobicContact CE-CG 3.54Å; M12-Y86 HydrophobicContact SD-CD2 3.99Å; M12-Y86 HydrophobicContact SD-CG 4.02Å; V29-Y86 WeakPolarHBondContact O-CA 3.36Å; K30-Y86 HydrophobicContact CB-CD1 4.18Å; K30-Y86 HydrophobicContact CB-CE1 3.89Å; K30-Y86 HydrophobicContact CD-CE1 4.04Å; K30-Y86 HydrophobicContact CG-CD1 4.44Å; K30-Y86 HydrophobicContact CG-CE1 3.83Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.76Å; L75-Y86 HydrophobicContact CD1-CD1 4.29Å; L75-Y86 HydrophobicContact CD1-CE1 3.53Å; L75-Y86 HydrophobicContact CD1-CE2 4.22Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.49Å; D82-Y86 WeakPolarHBondContact O-CE2 3.32Å; D82-Y86 PolarHBondContact O-OH 3.16Å; A84-Y86 HydrophobicContact CB-CD2 4.47Å; A84-Y86 HydrophobicContact CB-CE2 3.91Å; A84-Y86 WeakPolarHBondContact O-CD2 3.31Å
87	Y	97.9	Very high	95.2	Very high	106 Å²	106	75.4 Å²	75.4	42%	0.416	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.1	178.9	-59.8	-84.4	0	0	0	109.5	W28 V29 Q31 V85	W28-Y87 WeakPolarHBondContact CA-O 3.33Å; V29-Y87 PolarHBondContact N-O 3.08Å; V29-Y87 PolarHBondContact O-N 3.43Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.8Å; Q31-Y87 PolarHBondContact OE1-OH 3.49Å; V85-Y87 HydrophobicContact CB-CE2 3.89Å; V85-Y87 HydrophobicContact CG1-CD2 4.26Å; V85-Y87 HydrophobicContact CG1-CE1 3.9Å; V85-Y87 HydrophobicContact CG1-CE2 3.57Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.44Å
88	C	97.4	Very high	95.2	Very high	50 Å²	50	75.1 Å²	75.1	34%	0.338	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	141.4	159.3	59.7	0	0	0	0	109.2	C14 M26 H27 W28	C14-C88 HydrophobicContact CB-CB 3.47Å; C14-C88 VanDerWaalsContact CB-CB 3.47Å; C14-C88 WeakPolarHBondContact CB-SG 3.45Å; C14-C88 WeakPolarHBondContact SG-CB 3.3Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.88Å; M26-C88 HydrophobicContact CE-CB 4.24Å; H27-C88 CarbonylContact O-C 3.54Å; H27-C88 VanDerWaalsContact O-CA 3.22Å; H27-C88 WeakPolarHBondContact O-CA 3.49Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ2-CB 4.47Å; W28-C88 HydrophobicContact CZ3-CB 4.19Å
89	A	97.4	Very high	95.2	Very high	46 Å²	46	79.4 Å²	79.4	38%	0.38	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.9	176.7	0	0	0	0	0	109.6	H27	H27-A89 HydrophobicContact CB-CB 4.41Å; H27-A89 PolarHBondContact N-O 3.23Å; H27-A89 PolarHBondContact O-N 2.63Å
90	R	96.2	Very high	95.3	Very high	120 Å²	120	80.2 Å²	80.2	45%	0.453	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	140.9	169.3	-167.1	-164.1	68.9	-156.9	-5.1	108.3	Y19 Y24 M26	Y19-R90 HydrophobicContact CE2-CG 3.96Å; Y24-R90 HydrophobicContact CD1-CG 4.06Å; Y24-R90 HydrophobicContact CD2-CG 4.44Å; Y24-R90 HydrophobicContact CG-CG 3.76Å; M26-R90 HydrophobicContact SD-CB 4.24Å; M26-R90 HydrophobicContact SD-CG 4.3Å
91	E	91.3	Very high	95.5	Very high	157 Å²	157	77.6 Å²	77.6	73%	0.734	41%	0.407	S	S	*	.			trans	-66.7	0	163.1	-167.7	167.2	-143.5	0	0	112.5	Y24 T25	Y24-E91 WeakPolarHBondContact CD1-O 3.42Å; T25-E91 PolarHBondContact O-N 2.88Å; T25-E91 VanDerWaalsContact OG1-CB 3.27Å; T25-E91 WeakPolarHBondContact OG1-CB 2.77Å; T25-E91 PolarHBondContact OG1-OE2 2.66Å

Retrieved 91 of 91 residues in 19.4 ms (Link to these results)

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