X5J4G3_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4G3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 89 aa.

						>X5J4G3_MOUSE|X5J4G3
AELARPGASVKMSCKASGYTFTSYTMHWVKQRPGQGLEWIGYINPSSGYTKYNQKFKDKATLTADKSSSTAYMQLSSLTPEDSAVYYCA
					

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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	66.6	Low	88.6	Confident	157 Å²	157	101.6 Å²	101.6	100%	1.298	60%	0.603	S	S	*	*				0	134.3	0	0	0	0	0	0	107.5
2	E	76.7	Confident	89.2	Confident	134 Å²	134	96.1 Å²	96.1	63%	0.626	57%	0.567	S	S	*	*			trans	-110.7	126.8	-178.5	-168.7	157.1	-177.5	0	0	109.1	V10	E2-V10 HydrophobicContact CB-CG2 4.42Å; E2-V10 HydrophobicContact CG-CG2 3.81Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.32Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.38Å
3	L	84.3	Confident	89.9	Confident	175 Å²	175	95.2 Å²	95.2	92%	0.916	57%	0.57	S	S	*	*			trans	-108.8	119.1	178.9	-69.9	169.9	0	0	0	107.9
4	A	89.3	Confident	90.4	Very high	49 Å²	49	89.6 Å²	89.6	41%	0.405	54%	0.537	S	S	.	.			trans	-121.4	148.5	-180	0	0	0	0	0	110.2	A8 L78	A4-A8 HydrophobicContact CB-CB 4.39Å; A4-L78 HydrophobicContact CB-CD1 3.49Å; A4-L78 VanDerWaalsContact CB-CD1 3.49Å
5	R	89.8	Confident	90.9	Very high	209 Å²	209	94.1 Å²	94.1	79%	0.789	55%	0.546	S	S	*	.			trans	-73.9	150.7	174.4	-62.2	-178.2	-176.4	-168.2	0.7	109.7	G7 A8	R5-G7 PolarHBondContact O-N 3.28Å; R5-A8 WeakPolarHBondContact O-CB 3.48Å; R5-A8 PolarHBondContact O-N 3.26Å; R5-A8 VanDerWaalsContact O-N 3.08Å
6	P	91.6	Very high	91.3	Very high	107 Å²	107	88.9 Å²	88.9	70%	0.695	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	139.4	169.1	-25.4	34.6	0	0	0	111.4	A8 L78	P6-A8 PolarHBondContact O-N 2.98Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.32Å
7	G	92.3	Very high	91.6	Very high	53 Å²	53	89.6 Å²	89.6	55%	0.546	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	-13.4	-176.5	0	0	0	0	0	115.2	R5 L78	R5-G7 PolarHBondContact O-N 3.28Å; G7-L78 PolarHBondContact N-O 2.93Å
8	A	95.4	Very high	91.8	Very high	36 Å²	36	89.6 Å²	89.6	30%	0.298	55%	0.551	S	S	.	*			trans	-71.3	169.9	174.7	0	0	0	0	0	111.7	A4 R5 P6 S77 L78	A4-A8 HydrophobicContact CB-CB 4.39Å; R5-A8 WeakPolarHBondContact O-CB 3.48Å; R5-A8 PolarHBondContact O-N 3.26Å; R5-A8 VanDerWaalsContact O-N 3.08Å; P6-A8 PolarHBondContact O-N 2.98Å; A8-S77 PolarHBondContact O-N 2.91Å; A8-L78 WeakPolarHBondContact O-CB 3.43Å; A8-L78 VanDerWaalsContact O-CG 3.25Å; A8-L78 WeakPolarHBondContact O-CG 3.44Å; A8-L78 PolarHBondContact O-N 2.91Å
9	S	95.7	Very high	91.9	Very high	66 Å²	66	89.8 Å²	89.8	46%	0.462	54%	0.541	S	S	.	.			trans	-112.2	147.3	169.2	-56.4	0	0	0	0	110.2	L75 S76	S9-L75 CarbonylContact C-O 3.6Å; S9-L75 WeakPolarHBondContact CA-O 3.45Å; S9-L75 WeakPolarHBondContact CB-O 3.36Å; S9-S76 WeakPolarHBondContact OG-CA 3.49Å; S9-S76 PolarHBondContact OG-OG 3.48Å
10	V	95.8	Very high	92.2	Very high	17 Å²	17	89.8 Å²	89.8	10%	0.103	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142	176.5	65.7	0	0	0	0	109.9	E2 Q74 L75 L78	E2-V10 HydrophobicContact CB-CG2 4.42Å; E2-V10 HydrophobicContact CG-CG2 3.81Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.32Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.38Å; V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.37Å; V10-L75 HydrophobicContact CG1-CB 3.98Å; V10-L75 HydrophobicContact CG1-CD1 4.47Å; V10-L75 PolarHBondContact N-O 3.34Å; V10-L75 PolarHBondContact O-N 2.82Å; V10-L78 HydrophobicContact CB-CD1 4.06Å; V10-L78 HydrophobicContact CG1-CD1 3.82Å; V10-L78 HydrophobicContact CG1-CD2 4.15Å; V10-L78 HydrophobicContact CG1-CG 4.46Å
11	K	96.7	Very high	92.4	Very high	115 Å²	115	85.9 Å²	85.9	50%	0.5	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	112.2	176.7	-174.6	-179.8	-178.8	-178.9	0	110.1	Y72 Q74	K11-Y72 HydrophobicContact CG-CD1 4.49Å; K11-Q74 HydrophobicContact CG-CB 4.48Å
12	M	96.5	Very high	93.9	Very high	35 Å²	35	80.9 Å²	80.9	17%	0.172	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	148.6	176.5	-64.4	171.4	-75.4	0	0	110.5	W28 Y72 M73 L75 Y86	M12-W28 HydrophobicContact CB-CH2 4.38Å; M12-W28 HydrophobicContact CB-CZ3 4.26Å; M12-Y72 CarbonylContact O-C 3.41Å; M12-Y72 WeakPolarHBondContact O-CA 3.33Å; M12-Y72 WeakPolarHBondContact O-CB 3.45Å; M12-M73 HydrophobicContact CE-CB 4.45Å; M12-M73 HydrophobicContact CE-CE 3.18Å; M12-M73 HydrophobicContact CE-CG 4.34Å; M12-M73 PolarHBondContact N-O 2.81Å; M12-M73 PolarHBondContact O-N 3.31Å; M12-M73 HydrophobicContact SD-CE 4.5Å; M12-L75 HydrophobicContact CE-CD1 3.82Å; M12-L75 HydrophobicContact CE-CG 4.21Å; M12-Y86 HydrophobicContact CE-CD1 4.16Å; M12-Y86 HydrophobicContact CE-CD2 4.28Å; M12-Y86 HydrophobicContact CE-CG 3.98Å; M12-Y86 HydrophobicContact SD-CD2 3.95Å; M12-Y86 HydrophobicContact SD-CG 3.86Å
13	S	97.8	Very high	94.8	Very high	85 Å²	85	78.2 Å²	78.2	59%	0.594	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.5	175.5	63.1	0	0	0	0	111.2	A71 Y72	S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.37Å; S13-Y72 VanDerWaalsContact CB-CE1 3.45Å
14	C	97.9	Very high	95.4	Very high	16 Å²	16	76.9 Å²	76.9	11%	0.108	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	108.5	174.9	177.5	0	0	0	0	109.2	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.7Å; C14-W28 HydrophobicContact CB-CZ2 3.92Å; C14-T70 CarbonylContact O-C 3.55Å; C14-T70 WeakPolarHBondContact O-CA 3.43Å; C14-A71 PolarHBondContact N-O 2.79Å; C14-A71 PolarHBondContact O-N 2.87Å; C14-C88 HydrophobicContact CB-CB 3.53Å; C14-C88 WeakPolarHBondContact CB-SG 2.8Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.59Å
15	K	97.7	Very high	95.8	Very high	157 Å²	157	76.8 Å²	76.8	68%	0.683	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.4	-178.7	-174.2	172.5	-176.7	178.8	0	110.3	T70	K15-T70 HydrophobicContact CB-CG2 4.47Å
16	A	96.9	Very high	96.2	Very high	11 Å²	11	67 Å²	67	9%	0.091	41%	0.409	C	S	.	.			trans	-80.6	149.2	174.7	0	0	0	0	0	111.2	Y19 F21 M26 S69	A16-Y19 HydrophobicContact CB-CE1 3.93Å; A16-Y19 HydrophobicContact CB-CE2 4.27Å; A16-Y19 VanDerWaalsContact CB-OH 3.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.33Å; A16-F21 HydrophobicContact CB-CB 4.44Å; A16-F21 HydrophobicContact CB-CD2 3.47Å; A16-F21 VanDerWaalsContact CB-CD2 3.47Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4.29Å; A16-M26 HydrophobicContact CB-CE 4.33Å; A16-S69 PolarHBondContact N-O 2.81Å
17	S	96.1	Very high	96.5	Very high	102 Å²	102	64.9 Å²	64.9	71%	0.713	39%	0.389	S	S	*	.			trans	-152.2	156.4	173.4	63.5	0	0	0	0	110.5	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.26Å; S17-Y19 WeakPolarHBondContact O-CD1 3.4Å
18	G	95.8	Very high	96.8	Very high	89 Å²	89	62.7 Å²	62.7	92%	0.918	36%	0.364	S	S	*	.	S	Bend	trans	84.1	1.6	177.9	0	0	0	0	0	115.6
19	Y	93.7	Very high	96.9	Very high	93 Å²	93	62.1 Å²	62.1	37%	0.365	36%	0.357	S	S	.	.	S	Bend	trans	-154.4	167.5	176.1	63.9	-85.7	0	0	0	111.6	A16 S17 F21 Y24	A16-Y19 HydrophobicContact CB-CE1 3.93Å; A16-Y19 HydrophobicContact CB-CE2 4.27Å; A16-Y19 VanDerWaalsContact CB-OH 3.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.33Å; S17-Y19 VanDerWaalsContact O-CD1 3.26Å; S17-Y19 WeakPolarHBondContact O-CD1 3.4Å; Y19-F21 PolarHBondContact O-N 3.06Å; Y19-F21 VanDerWaalsContact O-N 3.13Å; Y19-Y24 AromaticContact CD2-CD2 3.47Å; Y19-Y24 HydrophobicContact CD2-CD2 3.47Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.47Å; Y19-Y24 AromaticContact CD2-CE2 3.91Å; Y19-Y24 HydrophobicContact CD2-CE2 3.91Å; Y19-Y24 HydrophobicContact CD2-CG 4.49Å; Y19-Y24 AromaticContact CE2-CD2 3.77Å; Y19-Y24 HydrophobicContact CE2-CD2 3.77Å; Y19-Y24 HydrophobicContact CE2-CG 4.41Å; Y19-Y24 HydrophobicContact CG-CD2 4.37Å; Y19-Y24 HydrophobicContact CG-CE2 4.43Å
20	T	96.7	Very high	97	Very high	89 Å²	89	59.1 Å²	59.1	55%	0.546	34%	0.336	S	S	.	.			trans	-70.8	104.2	172.6	-57.3	0	0	0	0	109.8	T22 S23	T20-T22 PolarHBondContact O-N 2.86Å; T20-T22 VanDerWaalsContact O-N 3.07Å; T20-S23 WeakPolarHBondContact CB-OG 3.19Å; T20-S23 WeakPolarHBondContact CG2-OG 3.23Å; T20-S23 VanDerWaalsContact O-CB 3.31Å; T20-S23 WeakPolarHBondContact O-CB 3.34Å; T20-S23 PolarHBondContact O-N 2.64Å
21	F	96.9	Very high	97	Very high	8 Å²	8	61.4 Å²	61.4	4%	0.035	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-51.4	-36.3	-174.2	176.5	-123.8	0	0	0	114.3	A16 Y19 S23 M26 P45 A64 A71	A16-F21 HydrophobicContact CB-CB 4.44Å; A16-F21 HydrophobicContact CB-CD2 3.47Å; A16-F21 VanDerWaalsContact CB-CD2 3.47Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4.29Å; Y19-F21 PolarHBondContact O-N 3.06Å; Y19-F21 VanDerWaalsContact O-N 3.13Å; F21-S23 VanDerWaalsContact C-N 3.26Å; F21-S23 PolarHBondContact O-N 3.18Å; F21-M26 HydrophobicContact CD2-CE 4.45Å; F21-M26 HydrophobicContact CE2-CE 3.8Å; F21-P45 HydrophobicContact CD1-CB 3.85Å; F21-P45 HydrophobicContact CD1-CG 4.35Å; F21-P45 HydrophobicContact CD2-CG 4.26Å; F21-P45 HydrophobicContact CE1-CB 3.5Å; F21-P45 HydrophobicContact CE1-CG 3.94Å; F21-P45 HydrophobicContact CE2-CB 4.31Å; F21-P45 HydrophobicContact CE2-CG 3.81Å; F21-P45 HydrophobicContact CG-CB 4.42Å; F21-P45 HydrophobicContact CZ-CB 3.76Å; F21-P45 HydrophobicContact CZ-CG 3.65Å; F21-A64 HydrophobicContact CE1-CB 4.13Å; F21-A64 HydrophobicContact CZ-CB 4.11Å; F21-A71 HydrophobicContact CE2-CB 4.42Å; F21-A71 HydrophobicContact CZ-CB 4.1Å
22	T	97.6	Very high	97	Very high	52 Å²	52	58.2 Å²	58.2	32%	0.319	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-76	-8.6	-179.8	52.8	0	0	0	0	114.5	T20 Y24 S46 K66	T20-T22 PolarHBondContact O-N 2.86Å; T20-T22 VanDerWaalsContact O-N 3.07Å; T22-Y24 VanDerWaalsContact C-N 3.35Å; T22-S46 WeakPolarHBondContact O-CB 2.98Å; T22-K66 HydrophobicContact CG2-CD 4.31Å; T22-K66 HydrophobicContact CG2-CG 4.06Å
23	S	97	Very high	96.8	Very high	79 Å²	79	62.3 Å²	62.3	55%	0.552	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-82.6	-11.6	-178.9	-61.4	0	0	0	0	113.7	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.19Å; T20-S23 WeakPolarHBondContact CG2-OG 3.23Å; T20-S23 VanDerWaalsContact O-CB 3.31Å; T20-S23 WeakPolarHBondContact O-CB 3.34Å; T20-S23 PolarHBondContact O-N 2.64Å; F21-S23 VanDerWaalsContact C-N 3.26Å; F21-S23 PolarHBondContact O-N 3.18Å
24	Y	95.8	Very high	96.6	Very high	146 Å²	146	62.8 Å²	62.8	57%	0.573	38%	0.378	S	S	*	.	S	Bend	trans	-133.1	149.5	-176.2	-61.3	-86.1	0	0	0	111.5	Y19 T22 P45	Y19-Y24 AromaticContact CD2-CD2 3.47Å; Y19-Y24 HydrophobicContact CD2-CD2 3.47Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.47Å; Y19-Y24 AromaticContact CD2-CE2 3.91Å; Y19-Y24 HydrophobicContact CD2-CE2 3.91Å; Y19-Y24 HydrophobicContact CD2-CG 4.49Å; Y19-Y24 AromaticContact CE2-CD2 3.77Å; Y19-Y24 HydrophobicContact CE2-CD2 3.77Å; Y19-Y24 HydrophobicContact CE2-CG 4.41Å; Y19-Y24 HydrophobicContact CG-CD2 4.37Å; Y19-Y24 HydrophobicContact CG-CE2 4.43Å; T22-Y24 VanDerWaalsContact C-N 3.35Å; Y24-P45 WeakPolarHBondContact O-CD 3.5Å; Y24-P45 WeakPolarHBondContact O-CG 2.99Å
25	T	97.8	Very high	96.4	Very high	47 Å²	47	66.5 Å²	66.5	29%	0.288	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-76.7	140.6	168.9	46.7	0	0	0	0	110.4	H27 Y42 I43 N44	T25-H27 PolarHBondContact OG1-NE2 2.7Å; T25-Y42 HydrophobicContact CG2-CD2 3.75Å; T25-Y42 HydrophobicContact CG2-CE2 3.85Å; T25-I43 CarbonylContact C-O 3.5Å; T25-I43 WeakPolarHBondContact CA-O 3.44Å; T25-N44 HydrophobicContact CG2-CB 3.9Å
26	M	98.3	Very high	96.2	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.02	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	117.1	172.7	-174.6	71	66.8	0	0	109.5	A16 F21 Y42 I43 A71 C88 A89	A16-M26 HydrophobicContact CB-CE 4.33Å; F21-M26 HydrophobicContact CD2-CE 4.45Å; F21-M26 HydrophobicContact CE2-CE 3.8Å; M26-Y42 CarbonylContact O-C 3.54Å; M26-Y42 WeakPolarHBondContact O-CA 3.42Å; M26-Y42 WeakPolarHBondContact O-CB 3.25Å; M26-I43 HydrophobicContact CB-CG2 4.04Å; M26-I43 PolarHBondContact N-O 3.26Å; M26-I43 PolarHBondContact O-N 2.92Å; M26-A71 HydrophobicContact CB-CB 4.09Å; M26-A71 HydrophobicContact CE-CB 4.37Å; M26-A71 HydrophobicContact CG-CB 3.68Å; M26-C88 HydrophobicContact CG-CB 4.34Å; M26-C88 HydrophobicContact SD-CB 3.74Å; M26-A89 CarbonylContact C-O 3.58Å
27	H	98.4	Very high	96.2	Very high	63 Å²	63	66.7 Å²	66.7	29%	0.292	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	148.1	176.1	-71	-109.2	0	0	0	110.9	T25 W39 G41 Y42 C88 A89	T25-H27 PolarHBondContact OG1-NE2 2.7Å; H27-W39 AromaticContact ND1-CD1 3.94Å; H27-W39 AromaticContact ND1-NE1 3.2Å; H27-W39 PolarHBondContact ND1-NE1 2.92Å; H27-W39 VanDerWaalsContact ND1-NE1 3.2Å; H27-G41 WeakPolarHBondContact CA-O 3.44Å; H27-Y42 AromaticContact CE1-CD1 3.77Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 3.46Å; H27-A89 PolarHBondContact N-O 2.81Å; H27-A89 PolarHBondContact O-N 3.26Å; H27-A89 VanDerWaalsContact O-N 3.09Å
28	W	98.6	Very high	96.2	Very high	6 Å²	6	63.4 Å²	63.4	2%	0.023	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.2	173.8	-68.9	86.8	0	0	0	110.4	M12 C14 I40 G41 L62 A71 M73 Y87 C88	M12-W28 HydrophobicContact CB-CH2 4.38Å; M12-W28 HydrophobicContact CB-CZ3 4.26Å; C14-W28 HydrophobicContact CB-CH2 3.7Å; C14-W28 HydrophobicContact CB-CZ2 3.92Å; W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.46Å; W28-I40 PolarHBondContact O-N 3.44Å; W28-G41 PolarHBondContact N-O 3.07Å; W28-L62 HydrophobicContact CG-CD2 4Å; W28-A71 HydrophobicContact CZ2-CB 4.16Å; W28-M73 HydrophobicContact CB-CE 4.36Å; W28-M73 HydrophobicContact CB-SD 3.79Å; W28-M73 HydrophobicContact CD2-CB 3.68Å; W28-M73 HydrophobicContact CD2-CE 4.18Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 3.99Å; W28-M73 HydrophobicContact CE3-CB 3.79Å; W28-M73 HydrophobicContact CE3-CE 3.62Å; W28-M73 HydrophobicContact CE3-SD 4.06Å; W28-M73 HydrophobicContact CG-CB 4.28Å; W28-M73 HydrophobicContact CG-SD 3.9Å; W28-M73 HydrophobicContact CH2-CB 3.98Å; W28-M73 HydrophobicContact CZ2-CB 3.89Å; W28-M73 HydrophobicContact CZ3-CB 3.94Å; W28-M73 HydrophobicContact CZ3-CE 4.26Å; W28-Y87 WeakPolarHBondContact CA-O 3.44Å; W28-C88 HydrophobicContact CD2-CB 4.41Å; W28-C88 HydrophobicContact CE3-CB 4.24Å; W28-C88 HydrophobicContact CH2-CB 4.32Å; W28-C88 HydrophobicContact CZ2-CB 4.45Å; W28-C88 HydrophobicContact CZ3-CB 4.21Å
29	V	98.1	Very high	96.3	Very high	24 Å²	24	62.9 Å²	62.9	15%	0.145	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139	-174.2	-174.1	0	0	0	0	109.7	L37 E38 Y86 Y87	V29-L37 HydrophobicContact CG1-CB 3.71Å; V29-L37 HydrophobicContact CG1-CD2 3.87Å; V29-L37 HydrophobicContact CG1-CG 4.22Å; V29-E38 WeakPolarHBondContact CA-O 3.36Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; V29-Y87 PolarHBondContact N-O 2.9Å; V29-Y87 PolarHBondContact O-N 2.65Å
30	K	96.8	Very high	96.5	Very high	3 Å²	3	58.5 Å²	58.5	1%	0.013	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.5	174.4	-179.7	-177.5	178.3	-176.4	0	109.8	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 2.9Å; K30-E38 PolarHBondContact O-N 3.09Å; K30-I40 HydrophobicContact CB-CD1 4.03Å; K30-I40 HydrophobicContact CB-CG1 4.21Å; K30-F56 HydrophobicContact CD-CE1 4.11Å; K30-F56 HydrophobicContact CD-CZ 4.19Å; K30-E81 WeakPolarHBondContact CE-O 3.46Å; K30-E81 PolarHBondContact NZ-O 2.79Å; K30-D82 IonicContact NZ-OD1 3.65Å; K30-A84 HydrophobicContact CD-CB 4.12Å; K30-A84 HydrophobicContact CG-CB 3.45Å; K30-A84 VanDerWaalsContact CG-CB 3.45Å; K30-Y86 HydrophobicContact CB-CD1 4.09Å; K30-Y86 HydrophobicContact CB-CE1 3.82Å; K30-Y86 HydrophobicContact CD-CE1 4.02Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å
31	Q	96.9	Very high	96.6	Very high	65 Å²	65	54.2 Å²	54.2	30%	0.304	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	118.1	172.7	-169	-178.1	29.4	0	0	110.7	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.97Å; Q31-A84 WeakPolarHBondContact O-CA 3.18Å; Q31-A84 WeakPolarHBondContact O-CB 2.98Å; Q31-V85 PolarHBondContact N-O 3.37Å; Q31-V85 PolarHBondContact O-N 2.78Å; Q31-Y87 HydrophobicContact CB-CD2 4.45Å; Q31-Y87 HydrophobicContact CB-CE2 3.77Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.32Å; Q31-Y87 PolarHBondContact OE1-OH 3.49Å
32	R	95.2	Very high	96.7	Very high	48 Å²	48	56.3 Å²	56.3	18%	0.181	32%	0.321	C	S	.	.			trans	-91	148.6	171.1	-76.5	-178	-101.1	-170	-7.1	110.5	G34 Q35 E38 A84	R32-G34 PolarHBondContact O-N 3.08Å; R32-Q35 HydrophobicContact CB-CB 3.98Å; R32-Q35 HydrophobicContact CB-CG 4.02Å; R32-Q35 VanDerWaalsContact NE-OE1 3.08Å; R32-Q35 PolarHBondContact O-N 3.4Å; R32-E38 IonicContact CZ-OE1 2.79Å; R32-E38 IonicContact NE-OE1 3.31Å; R32-E38 PolarHBondContact NE-OE1 3.36Å; R32-E38 IonicContact NH2-OE1 3.7Å; R32-E38 PolarHBondContact NH2-OE1 2.74Å; R32-E38 IonicContact NH2-OE2 3.47Å; R32-A84 HydrophobicContact CG-CB 3.91Å
33	P	93.5	Very high	96.8	Very high	122 Å²	122	54.1 Å²	54.1	79%	0.792	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	128	173.1	-25	34.3	0	0	0	111.1	Q35	P33-Q35 PolarHBondContact O-N 3.17Å
34	G	93.6	Very high	96.8	Very high	94 Å²	94	52.3 Å²	52.3	97%	0.969	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	3.1	-178.5	0	0	0	0	0	115.6	R32	R32-G34 PolarHBondContact O-N 3.08Å
35	Q	92.9	Very high	96.9	Very high	94 Å²	94	45.5 Å²	45.5	44%	0.439	27%	0.265	S	S	.	.	S	Bend	trans	-112.9	158.2	174.9	-60	-171.3	-5.3	0	0	111.4	R32 P33	R32-Q35 HydrophobicContact CB-CB 3.98Å; R32-Q35 HydrophobicContact CB-CG 4.02Å; R32-Q35 VanDerWaalsContact NE-OE1 3.08Å; R32-Q35 PolarHBondContact O-N 3.4Å; P33-Q35 PolarHBondContact O-N 3.17Å
36	G	93.9	Very high	96.9	Very high	55 Å²	55	45.8 Å²	45.8	57%	0.567	27%	0.269	S	S	*	.			trans	-68.9	177.2	172.8	0	0	0	0	0	113.1	E38	G36-E38 PolarHBondContact O-N 2.02Å
37	L	96.3	Very high	96.9	Very high	117 Å²	117	49.4 Å²	49.4	61%	0.613	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	124.9	173.5	-66	179.3	0	0	0	110.5	V29 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.71Å; V29-L37 HydrophobicContact CG1-CD2 3.87Å; V29-L37 HydrophobicContact CG1-CG 4.22Å; Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.97Å; L37-Y87 HydrophobicContact CD2-CE2 4.49Å
38	E	97.1	Very high	96.8	Very high	33 Å²	33	48.4 Å²	48.4	15%	0.154	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	111.7	173.6	-63.8	-168.7	-90.9	0	0	109.6	V29 K30 R32 G36 I40 K55 F56	V29-E38 WeakPolarHBondContact CA-O 3.36Å; K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 2.9Å; K30-E38 PolarHBondContact O-N 3.09Å; R32-E38 IonicContact CZ-OE1 2.79Å; R32-E38 IonicContact NE-OE1 3.31Å; R32-E38 PolarHBondContact NE-OE1 3.36Å; R32-E38 IonicContact NH2-OE1 3.7Å; R32-E38 PolarHBondContact NH2-OE1 2.74Å; R32-E38 IonicContact NH2-OE2 3.47Å; G36-E38 PolarHBondContact O-N 2.02Å; E38-I40 PolarHBondContact O-N 2.89Å; E38-K55 IonicContact OE2-NZ 3.83Å; E38-F56 HydrophobicContact CB-CZ 4.42Å
39	W	97.9	Very high	96.8	Very high	79 Å²	79	54.5 Å²	54.5	30%	0.299	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	126.8	175.4	-179.5	70.1	0	0	0	110.9	H27 G41 Y42 K51 N53	H27-W39 AromaticContact ND1-CD1 3.94Å; H27-W39 AromaticContact ND1-NE1 3.2Å; H27-W39 PolarHBondContact ND1-NE1 2.92Å; H27-W39 VanDerWaalsContact ND1-NE1 3.2Å; W39-G41 VanDerWaalsContact CE2-CA 3.5Å; W39-G41 PolarHBondContact NE1-O 3.45Å; W39-Y42 HydrophobicContact CH2-CD1 4.46Å; W39-Y42 AromaticContact CZ2-CD1 3.73Å; W39-Y42 HydrophobicContact CZ2-CD1 3.73Å; W39-K51 HydrophobicContact CH2-CB 4.4Å; W39-K51 HydrophobicContact CH2-CD 4.31Å; W39-K51 HydrophobicContact CH2-CG 4.11Å; W39-N53 HydrophobicContact CE3-CB 3.78Å; W39-N53 HydrophobicContact CZ3-CB 3.9Å; W39-N53 WeakPolarHBondContact O-CB 2.96Å; W39-N53 PolarHBondContact O-ND2 2.96Å
40	I	98.3	Very high	96.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-48.8	-178.4	-60.2	172.7	0	0	0	110.4	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.46Å; W28-I40 PolarHBondContact O-N 3.44Å; K30-I40 HydrophobicContact CB-CD1 4.03Å; K30-I40 HydrophobicContact CB-CG1 4.21Å; E38-I40 PolarHBondContact O-N 2.89Å; I40-N53 PolarHBondContact O-N 2.79Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.32Å; I40-F56 HydrophobicContact CG1-CD1 4.3Å; I40-F56 HydrophobicContact CG1-CD2 4.26Å; I40-F56 HydrophobicContact CG1-CE1 4.27Å; I40-F56 HydrophobicContact CG1-CE2 4.22Å; I40-F56 HydrophobicContact CG1-CG 4.3Å; I40-F56 HydrophobicContact CG1-CZ 4.22Å; I40-F56 HydrophobicContact CG2-CB 3.76Å; I40-F56 HydrophobicContact CG2-CD1 4.28Å; I40-F56 HydrophobicContact CG2-CD2 4.32Å; I40-F56 HydrophobicContact CG2-CG 3.88Å; I40-A60 HydrophobicContact CG2-CB 3.81Å; I40-M73 HydrophobicContact CB-SD 4.49Å; I40-M73 HydrophobicContact CD1-CE 3.53Å; I40-M73 HydrophobicContact CD1-SD 3.62Å; I40-M73 HydrophobicContact CG2-SD 3.88Å; I40-Y86 HydrophobicContact CD1-CD1 3.8Å; I40-Y86 HydrophobicContact CD1-CE1 3.84Å
41	G	98.4	Very high	96.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.9	178.4	-170.1	0	0	0	0	0	112.4	H27 W28 W39 K51	H27-G41 WeakPolarHBondContact CA-O 3.44Å; W28-G41 PolarHBondContact N-O 3.07Å; W39-G41 VanDerWaalsContact CE2-CA 3.5Å; W39-G41 PolarHBondContact NE1-O 3.45Å; G41-K51 CarbonylContact C-O 3.58Å; G41-K51 WeakPolarHBondContact CA-O 3.45Å
42	Y	98.6	Very high	97	Very high	52 Å²	52	59.9 Å²	59.9	20%	0.204	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	157.7	166.2	76.1	-106.5	0	0	0	111	T25 M26 H27 W39 Y49 T50 K51	T25-Y42 HydrophobicContact CG2-CD2 3.75Å; T25-Y42 HydrophobicContact CG2-CE2 3.85Å; M26-Y42 CarbonylContact O-C 3.54Å; M26-Y42 WeakPolarHBondContact O-CA 3.42Å; M26-Y42 WeakPolarHBondContact O-CB 3.25Å; H27-Y42 AromaticContact CE1-CD1 3.77Å; W39-Y42 HydrophobicContact CH2-CD1 4.46Å; W39-Y42 AromaticContact CZ2-CD1 3.73Å; W39-Y42 HydrophobicContact CZ2-CD1 3.73Å; Y42-Y49 HydrophobicContact CE2-CD1 4.04Å; Y42-Y49 HydrophobicContact CE2-CE1 4.3Å; Y42-Y49 WeakPolarHBondContact OH-CE1 3.26Å; Y42-T50 WeakPolarHBondContact O-CA 3.26Å; Y42-K51 HydrophobicContact CD1-CB 4.02Å; Y42-K51 HydrophobicContact CE1-CB 3.59Å; Y42-K51 HydrophobicContact CE1-CD 3.88Å; Y42-K51 HydrophobicContact CE1-CG 4.33Å; Y42-K51 HydrophobicContact CE2-CB 4.48Å; Y42-K51 PolarHBondContact N-O 3.34Å; Y42-K51 PolarHBondContact O-N 3.08Å
43	I	98.7	Very high	97.1	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.026	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.3	166.8	-175.8	164.5	0	0	0	109.8	T25 M26 P45 Y49 T50 L62 T63 A64	T25-I43 CarbonylContact C-O 3.5Å; T25-I43 WeakPolarHBondContact CA-O 3.44Å; M26-I43 HydrophobicContact CB-CG2 4.04Å; M26-I43 PolarHBondContact N-O 3.26Å; M26-I43 PolarHBondContact O-N 2.92Å; I43-P45 WeakPolarHBondContact O-CD 3.39Å; I43-Y49 WeakPolarHBondContact CA-O 3.45Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.96Å; I43-T50 HydrophobicContact CG1-CG2 3.83Å; I43-L62 HydrophobicContact CB-CB 4.13Å; I43-L62 HydrophobicContact CG2-CB 4.49Å; I43-T63 VanDerWaalsContact CD1-C 3.48Å; I43-A64 HydrophobicContact CD1-CB 3.85Å; I43-A64 HydrophobicContact CG1-CB 4.47Å
44	N	98.3	Very high	97.2	Very high	42 Å²	42	60.5 Å²	60.5	23%	0.225	35%	0.345	C	S	.	.			trans	-86.1	109.7	165.1	-174.4	-32.5	0	0	0	108.4	T25 S46 S47 G48 Y49	T25-N44 HydrophobicContact CG2-CB 3.9Å; N44-S46 PolarHBondContact O-N 3.2Å; N44-S46 WeakPolarHBondContact OD1-CB 3.32Å; N44-S46 PolarHBondContact OD1-N 2.83Å; N44-S46 PolarHBondContact OD1-OG 2.78Å; N44-S47 WeakPolarHBondContact CB-OG 3.45Å; N44-S47 PolarHBondContact O-N 2.88Å; N44-G48 VanDerWaalsContact O-CA 3.31Å; N44-G48 WeakPolarHBondContact O-CA 3.18Å; N44-G48 PolarHBondContact O-N 3.05Å; N44-Y49 PolarHBondContact N-O 3.28Å
45	P	97.9	Very high	97.3	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.013	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-24	-177.1	-19.7	33.7	0	0	0	113.2	F21 Y24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.85Å; F21-P45 HydrophobicContact CD1-CG 4.35Å; F21-P45 HydrophobicContact CD2-CG 4.26Å; F21-P45 HydrophobicContact CE1-CB 3.5Å; F21-P45 HydrophobicContact CE1-CG 3.94Å; F21-P45 HydrophobicContact CE2-CB 4.31Å; F21-P45 HydrophobicContact CE2-CG 3.81Å; F21-P45 HydrophobicContact CG-CB 4.42Å; F21-P45 HydrophobicContact CZ-CB 3.76Å; F21-P45 HydrophobicContact CZ-CG 3.65Å; Y24-P45 WeakPolarHBondContact O-CD 3.5Å; Y24-P45 WeakPolarHBondContact O-CG 2.99Å; I43-P45 WeakPolarHBondContact O-CD 3.39Å; P45-A64 HydrophobicContact CB-CB 4.1Å; P45-K66 WeakPolarHBondContact O-CE 3.33Å
46	S	97.6	Very high	97.4	Very high	54 Å²	54	59.3 Å²	59.3	38%	0.378	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-48.3	177.7	69.4	0	0	0	0	112.4	T22 N44 K66	T22-S46 WeakPolarHBondContact O-CB 2.98Å; N44-S46 PolarHBondContact O-N 3.2Å; N44-S46 WeakPolarHBondContact OD1-CB 3.32Å; N44-S46 PolarHBondContact OD1-N 2.83Å; N44-S46 PolarHBondContact OD1-OG 2.78Å; S46-K66 WeakPolarHBondContact O-CE 3.14Å; S46-K66 PolarHBondContact O-NZ 3.35Å
47	S	97.7	Very high	97.5	Very high	79 Å²	79	62.1 Å²	62.1	55%	0.552	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-16.3	-173.4	63.1	0	0	0	0	114.1	N44 Y49	N44-S47 WeakPolarHBondContact CB-OG 3.45Å; N44-S47 PolarHBondContact O-N 2.88Å; S47-Y49 PolarHBondContact O-N 3.49Å; S47-Y49 WeakPolarHBondContact OG-CB 3.4Å; S47-Y49 PolarHBondContact OG-N 2.57Å
48	G	97.3	Very high	97.4	Very high	43 Å²	43	63.7 Å²	63.7	44%	0.443	32%	0.317	S	S	.	.			trans	73.5	2.9	-170.2	0	0	0	0	0	113.8	N44 T50	N44-G48 VanDerWaalsContact O-CA 3.31Å; N44-G48 WeakPolarHBondContact O-CA 3.18Å; N44-G48 PolarHBondContact O-N 3.05Å; G48-T50 PolarHBondContact O-N 3.39Å
49	Y	98.3	Very high	97.4	Very high	133 Å²	133	64.2 Å²	64.2	52%	0.522	32%	0.319	S	S	.	.			trans	-62.8	134	177.8	178.6	-98	0	0	0	110.7	Y42 I43 N44 S47 K51	Y42-Y49 HydrophobicContact CE2-CD1 4.04Å; Y42-Y49 HydrophobicContact CE2-CE1 4.3Å; Y42-Y49 WeakPolarHBondContact OH-CE1 3.26Å; I43-Y49 WeakPolarHBondContact CA-O 3.45Å; N44-Y49 PolarHBondContact N-O 3.28Å; S47-Y49 PolarHBondContact O-N 3.49Å; S47-Y49 WeakPolarHBondContact OG-CB 3.4Å; S47-Y49 PolarHBondContact OG-N 2.57Å; Y49-K51 HydrophobicContact CE1-CB 4.2Å
50	T	98.5	Very high	97.4	Very high	43 Å²	43	60.6 Å²	60.6	26%	0.264	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	143	178.7	52.5	0	0	0	0	110.9	Y42 I43 G48 Y52 L62	Y42-T50 WeakPolarHBondContact O-CA 3.26Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.96Å; I43-T50 HydrophobicContact CG1-CG2 3.83Å; G48-T50 PolarHBondContact O-N 3.39Å; T50-Y52 WeakPolarHBondContact OG1-CE2 2.95Å; T50-L62 HydrophobicContact CG2-CB 3.98Å
51	K	98.4	Very high	97.4	Very high	110 Å²	110	63.9 Å²	63.9	48%	0.478	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.7	169.1	-169.3	-178.9	-179.3	177.4	0	108.6	W39 G41 Y42 Y49	W39-K51 HydrophobicContact CH2-CB 4.4Å; W39-K51 HydrophobicContact CH2-CD 4.31Å; W39-K51 HydrophobicContact CH2-CG 4.11Å; G41-K51 CarbonylContact C-O 3.58Å; G41-K51 WeakPolarHBondContact CA-O 3.45Å; Y42-K51 HydrophobicContact CD1-CB 4.02Å; Y42-K51 HydrophobicContact CE1-CB 3.59Å; Y42-K51 HydrophobicContact CE1-CD 3.88Å; Y42-K51 HydrophobicContact CE1-CG 4.33Å; Y42-K51 HydrophobicContact CE2-CB 4.48Å; Y42-K51 PolarHBondContact N-O 3.34Å; Y42-K51 PolarHBondContact O-N 3.08Å; Y49-K51 HydrophobicContact CE1-CB 4.2Å
52	Y	98.5	Very high	97.4	Very high	53 Å²	53	64.3 Å²	64.3	21%	0.208	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.9	-178.8	-61.9	-90.7	0	0	0	110.7	T50 A60 L62	T50-Y52 WeakPolarHBondContact OG1-CE2 2.95Å; Y52-A60 HydrophobicContact CD1-CB 4.48Å; Y52-A60 HydrophobicContact CE1-CB 4.28Å; Y52-A60 WeakPolarHBondContact CE1-O 3.26Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.86Å
53	N	97.6	Very high	97.4	Very high	48 Å²	48	64.7 Å²	64.7	26%	0.257	34%	0.336	S	S	.	.			trans	-70.9	137.5	155.5	179.2	-22.2	0	0	0	108.4	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.78Å; W39-N53 HydrophobicContact CZ3-CB 3.9Å; W39-N53 WeakPolarHBondContact O-CB 2.96Å; W39-N53 PolarHBondContact O-ND2 2.96Å; I40-N53 PolarHBondContact O-N 2.79Å; N53-K55 PolarHBondContact O-N 2.97Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 3.22Å; N53-K55 VanDerWaalsContact OD1-N 3.17Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.2Å; N53-K57 PolarHBondContact O-N 3Å
54	Q	96.6	Very high	97.4	Very high	134 Å²	134	66.1 Å²	66.1	63%	0.626	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-54.8	-32.5	-175.7	-168.6	60.7	27.2	0	0	112.9	F56	Q54-F56 PolarHBondContact O-N 2.92Å
55	K	94.5	Very high	97.3	Very high	152 Å²	152	66.8 Å²	66.8	66%	0.661	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-61.8	-26.3	176.7	-68.5	-176.2	178.2	-178.3	0	114.3	E38 N53	E38-K55 IonicContact OE2-NZ 3.83Å; N53-K55 PolarHBondContact O-N 2.97Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 3.22Å; N53-K55 VanDerWaalsContact OD1-N 3.17Å
56	F	96.1	Very high	97.3	Very high	11 Å²	11	72.4 Å²	72.4	5%	0.048	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-114.7	-3	-172.2	-59.8	-83.4	0	0	0	113.2	K30 E38 I40 N53 Q54 D58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.11Å; K30-F56 HydrophobicContact CD-CZ 4.19Å; E38-F56 HydrophobicContact CB-CZ 4.42Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.32Å; I40-F56 HydrophobicContact CG1-CD1 4.3Å; I40-F56 HydrophobicContact CG1-CD2 4.26Å; I40-F56 HydrophobicContact CG1-CE1 4.27Å; I40-F56 HydrophobicContact CG1-CE2 4.22Å; I40-F56 HydrophobicContact CG1-CG 4.3Å; I40-F56 HydrophobicContact CG1-CZ 4.22Å; I40-F56 HydrophobicContact CG2-CB 3.76Å; I40-F56 HydrophobicContact CG2-CD1 4.28Å; I40-F56 HydrophobicContact CG2-CD2 4.32Å; I40-F56 HydrophobicContact CG2-CG 3.88Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.2Å; Q54-F56 PolarHBondContact O-N 2.92Å; F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 3.25Å; F56-K59 PolarHBondContact O-N 2.77Å; F56-A60 HydrophobicContact CB-CB 4.29Å; F56-A60 PolarHBondContact O-N 2.84Å
57	K	94.9	Very high	97.2	Very high	114 Å²	114	75 Å²	75	50%	0.496	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-38.4	-172.8	-171.9	179.8	179.8	-175.6	0	113.4	N53	N53-K57 PolarHBondContact O-N 3Å
58	D	95.1	Very high	97.2	Very high	151 Å²	151	72.9 Å²	72.9	81%	0.807	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-0.6	-179	-53.7	-41	0	0	0	112.8	F56	F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 3.25Å
59	K	95.9	Very high	97.2	Very high	44 Å²	44	72.8 Å²	72.8	19%	0.191	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-35.1	-173.2	-162.3	167.9	-164.2	172.2	0	113.4	F56 L75 S76 T79 D82	F56-K59 PolarHBondContact O-N 2.77Å; K59-L75 WeakPolarHBondContact O-CA 3.31Å; K59-S76 WeakPolarHBondContact CG-O 3.48Å; K59-S76 PolarHBondContact O-N 2.8Å; K59-T79 PolarHBondContact NZ-OG1 2.61Å; K59-D82 VanDerWaalsContact CE-CG 3.48Å; K59-D82 WeakPolarHBondContact CE-OD1 3.48Å; K59-D82 WeakPolarHBondContact CE-OD2 3.36Å; K59-D82 IonicContact NZ-OD1 2.78Å; K59-D82 PolarHBondContact NZ-OD1 3.28Å; K59-D82 IonicContact NZ-OD2 2.57Å; K59-D82 PolarHBondContact NZ-OD2 3.44Å
60	A	97.8	Very high	97.2	Very high	3 Å²	3	66.8 Å²	66.8	3%	0.025	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.2	-176.4	0	0	0	0	0	111.2	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.81Å; Y52-A60 HydrophobicContact CD1-CB 4.48Å; Y52-A60 HydrophobicContact CE1-CB 4.28Å; Y52-A60 WeakPolarHBondContact CE1-O 3.26Å; F56-A60 HydrophobicContact CB-CB 4.29Å; F56-A60 PolarHBondContact O-N 2.84Å; A60-M73 HydrophobicContact CB-SD 4.41Å; A60-Q74 CarbonylContact C-O 3.54Å; A60-Q74 WeakPolarHBondContact CA-O 3.15Å; A60-L75 HydrophobicContact CB-CD2 3.81Å
61	T	98.4	Very high	97.2	Very high	69 Å²	69	64.8 Å²	64.8	42%	0.423	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.8	169.1	-57.7	0	0	0	0	108.7	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.36Å; T61-M73 WeakPolarHBondContact O-CA 3.41Å; T61-Q74 PolarHBondContact N-O 2.93Å; T61-Q74 PolarHBondContact O-N 3.03Å
62	L	98.6	Very high	97.3	Very high	8 Å²	8	62.1 Å²	62.1	4%	0.042	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.4	177.8	-52.2	-176.9	0	0	0	110.6	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4Å; I43-L62 HydrophobicContact CB-CB 4.13Å; I43-L62 HydrophobicContact CG2-CB 4.49Å; T50-L62 HydrophobicContact CG2-CB 3.98Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.86Å; L62-Y72 WeakPolarHBondContact CA-O 3.33Å; L62-M73 HydrophobicContact CD2-CB 3.73Å; L62-M73 HydrophobicContact CD2-CG 3.6Å; L62-M73 HydrophobicContact CD2-SD 3.84Å
63	T	98.5	Very high	97.2	Very high	60 Å²	60	59.6 Å²	59.6	37%	0.368	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162	176.3	55.6	0	0	0	0	110.6	I43 T61 A71 Y72	I43-T63 VanDerWaalsContact CD1-C 3.48Å; T61-T63 HydrophobicContact CG2-CG2 4.36Å; T63-A71 CarbonylContact O-C 3.57Å; T63-A71 WeakPolarHBondContact O-CA 3.15Å; T63-Y72 PolarHBondContact N-O 3.13Å; T63-Y72 PolarHBondContact O-N 3.07Å
64	A	98.3	Very high	97.3	Very high	36 Å²	36	61 Å²	61	30%	0.298	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	138.4	177.9	0	0	0	0	0	110.6	F21 I43 P45	F21-A64 HydrophobicContact CE1-CB 4.13Å; F21-A64 HydrophobicContact CZ-CB 4.11Å; I43-A64 HydrophobicContact CD1-CB 3.85Å; I43-A64 HydrophobicContact CG1-CB 4.47Å; P45-A64 HydrophobicContact CB-CB 4.1Å
65	D	97.9	Very high	97.3	Very high	55 Å²	55	54.7 Å²	54.7	29%	0.294	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111.2	170.9	174.6	9.7	0	0	0	109	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 PolarHBondContact O-N 2.88Å; D65-S67 WeakPolarHBondContact OD1-CB 3.44Å; D65-S67 PolarHBondContact OD1-N 2.91Å; D65-S67 PolarHBondContact OD1-OG 2.87Å; D65-S67 PolarHBondContact OD2-OG 3.4Å; D65-S68 WeakPolarHBondContact CB-OG 3.41Å; D65-S68 WeakPolarHBondContact OD2-CB 3.39Å; D65-S68 PolarHBondContact OD2-OG 3.03Å; D65-S69 PolarHBondContact O-N 2.84Å; D65-S69 VanDerWaalsContact O-N 3.12Å; D65-T70 PolarHBondContact N-O 2.87Å; D65-T70 PolarHBondContact O-N 2.97Å; D65-Y72 HydrophobicContact CB-CE2 4.03Å
66	K	96.7	Very high	97.4	Very high	120 Å²	120	49 Å²	49	52%	0.522	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-35.1	-179.5	-64.2	173.9	176.5	175.2	0	111.8	T22 P45 S46 S69	T22-K66 HydrophobicContact CG2-CD 4.31Å; T22-K66 HydrophobicContact CG2-CG 4.06Å; P45-K66 WeakPolarHBondContact O-CE 3.33Å; S46-K66 WeakPolarHBondContact O-CE 3.14Å; S46-K66 PolarHBondContact O-NZ 3.35Å; K66-S69 PolarHBondContact O-N 2.85Å
67	S	96.3	Very high	97.3	Very high	109 Å²	109	52.5 Å²	52.5	76%	0.762	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-39.6	-174.4	70.8	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 PolarHBondContact O-N 2.88Å; D65-S67 WeakPolarHBondContact OD1-CB 3.44Å; D65-S67 PolarHBondContact OD1-N 2.91Å; D65-S67 PolarHBondContact OD1-OG 2.87Å; D65-S67 PolarHBondContact OD2-OG 3.4Å
68	S	97.4	Very high	97.3	Very high	35 Å²	35	48.1 Å²	48.1	25%	0.245	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1.3	178	64.2	0	0	0	0	113.8	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.41Å; D65-S68 WeakPolarHBondContact OD2-CB 3.39Å; D65-S68 PolarHBondContact OD2-OG 3.03Å; S68-T70 PolarHBondContact O-N 2.99Å; S68-T70 PolarHBondContact O-OG1 3.04Å; S68-T70 WeakPolarHBondContact OG-CB 3.32Å; S68-T70 PolarHBondContact OG-OG1 2.9Å
69	S	97.8	Very high	97.3	Very high	40 Å²	40	43.8 Å²	43.8	28%	0.28	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	41.6	-173.1	-62.8	0	0	0	0	112.8	A16 D65 K66	A16-S69 PolarHBondContact N-O 2.81Å; D65-S69 PolarHBondContact O-N 2.84Å; D65-S69 VanDerWaalsContact O-N 3.12Å; K66-S69 PolarHBondContact O-N 2.85Å
70	T	98.4	Very high	97.1	Very high	8 Å²	8	47 Å²	47	5%	0.049	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.9	-172.5	-56.7	0	0	0	0	111	C14 K15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.55Å; C14-T70 WeakPolarHBondContact O-CA 3.43Å; K15-T70 HydrophobicContact CB-CG2 4.47Å; D65-T70 PolarHBondContact N-O 2.87Å; D65-T70 PolarHBondContact O-N 2.97Å; S68-T70 PolarHBondContact O-N 2.99Å; S68-T70 PolarHBondContact O-OG1 3.04Å; S68-T70 WeakPolarHBondContact OG-CB 3.32Å; S68-T70 PolarHBondContact OG-OG1 2.9Å; T70-Y72 HydrophobicContact CG2-CD1 4.36Å; T70-Y72 HydrophobicContact CG2-CD2 4.37Å; T70-Y72 HydrophobicContact CG2-CE1 3.77Å; T70-Y72 HydrophobicContact CG2-CE2 3.75Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å
71	A	98.5	Very high	96.8	Very high	0 Å²	0	53 Å²	53	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	151.7	167.6	0	0	0	0	0	110.2	S13 C14 F21 M26 W28 T63	S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.37Å; C14-A71 PolarHBondContact N-O 2.79Å; C14-A71 PolarHBondContact O-N 2.87Å; F21-A71 HydrophobicContact CE2-CB 4.42Å; F21-A71 HydrophobicContact CZ-CB 4.1Å; M26-A71 HydrophobicContact CB-CB 4.09Å; M26-A71 HydrophobicContact CE-CB 4.37Å; M26-A71 HydrophobicContact CG-CB 3.68Å; W28-A71 HydrophobicContact CZ2-CB 4.16Å; T63-A71 CarbonylContact O-C 3.57Å; T63-A71 WeakPolarHBondContact O-CA 3.15Å
72	Y	98.5	Very high	96.6	Very high	55 Å²	55	50.2 Å²	50.2	22%	0.216	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.5	176.8	-54.3	-93.7	0	0	0	110.9	K11 M12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CG-CD1 4.49Å; M12-Y72 CarbonylContact O-C 3.41Å; M12-Y72 WeakPolarHBondContact O-CA 3.33Å; M12-Y72 WeakPolarHBondContact O-CB 3.45Å; S13-Y72 VanDerWaalsContact CB-CE1 3.45Å; L62-Y72 WeakPolarHBondContact CA-O 3.33Å; T63-Y72 PolarHBondContact N-O 3.13Å; T63-Y72 PolarHBondContact O-N 3.07Å; D65-Y72 HydrophobicContact CB-CE2 4.03Å; T70-Y72 HydrophobicContact CG2-CD1 4.36Å; T70-Y72 HydrophobicContact CG2-CD2 4.37Å; T70-Y72 HydrophobicContact CG2-CE1 3.77Å; T70-Y72 HydrophobicContact CG2-CE2 3.75Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å
73	M	98.3	Very high	96.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.4	167.7	178.1	166	74	0	0	109	M12 W28 I40 A60 T61 L62 L75 Y86	M12-M73 HydrophobicContact CE-CB 4.45Å; M12-M73 HydrophobicContact CE-CE 3.18Å; M12-M73 HydrophobicContact CE-CG 4.34Å; M12-M73 PolarHBondContact N-O 2.81Å; M12-M73 PolarHBondContact O-N 3.31Å; M12-M73 HydrophobicContact SD-CE 4.5Å; W28-M73 HydrophobicContact CB-CE 4.36Å; W28-M73 HydrophobicContact CB-SD 3.79Å; W28-M73 HydrophobicContact CD2-CB 3.68Å; W28-M73 HydrophobicContact CD2-CE 4.18Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 3.99Å; W28-M73 HydrophobicContact CE3-CB 3.79Å; W28-M73 HydrophobicContact CE3-CE 3.62Å; W28-M73 HydrophobicContact CE3-SD 4.06Å; W28-M73 HydrophobicContact CG-CB 4.28Å; W28-M73 HydrophobicContact CG-SD 3.9Å; W28-M73 HydrophobicContact CH2-CB 3.98Å; W28-M73 HydrophobicContact CZ2-CB 3.89Å; W28-M73 HydrophobicContact CZ3-CB 3.94Å; W28-M73 HydrophobicContact CZ3-CE 4.26Å; I40-M73 HydrophobicContact CB-SD 4.49Å; I40-M73 HydrophobicContact CD1-CE 3.53Å; I40-M73 HydrophobicContact CD1-SD 3.62Å; I40-M73 HydrophobicContact CG2-SD 3.88Å; A60-M73 HydrophobicContact CB-SD 4.41Å; T61-M73 WeakPolarHBondContact O-CA 3.41Å; L62-M73 HydrophobicContact CD2-CB 3.73Å; L62-M73 HydrophobicContact CD2-CG 3.6Å; L62-M73 HydrophobicContact CD2-SD 3.84Å; M73-L75 HydrophobicContact CE-CD1 4.38Å; M73-L75 HydrophobicContact CE-CG 4.43Å; M73-L75 HydrophobicContact CG-CG 4.47Å; M73-L75 HydrophobicContact SD-CD2 4.43Å; M73-Y86 HydrophobicContact CE-CD1 3.5Å; M73-Y86 VanDerWaalsContact CE-CD1 3.5Å; M73-Y86 HydrophobicContact CE-CE1 4.02Å; M73-Y86 HydrophobicContact CE-CG 4.23Å
74	Q	98.1	Very high	96.3	Very high	77 Å²	77	52.9 Å²	52.9	36%	0.36	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.3	170.1	-177.1	173.8	-8.9	0	0	109.2	V10 K11 A60 T61	V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.37Å; K11-Q74 HydrophobicContact CG-CB 4.48Å; A60-Q74 CarbonylContact C-O 3.54Å; A60-Q74 WeakPolarHBondContact CA-O 3.15Å; T61-Q74 PolarHBondContact N-O 2.93Å; T61-Q74 PolarHBondContact O-N 3.03Å
75	L	97.1	Very high	96.2	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.8	169.6	-66.5	172.2	0	0	0	108.7	S9 V10 M12 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.6Å; S9-L75 WeakPolarHBondContact CA-O 3.45Å; S9-L75 WeakPolarHBondContact CB-O 3.36Å; V10-L75 HydrophobicContact CG1-CB 3.98Å; V10-L75 HydrophobicContact CG1-CD1 4.47Å; V10-L75 PolarHBondContact N-O 3.34Å; V10-L75 PolarHBondContact O-N 2.82Å; M12-L75 HydrophobicContact CE-CD1 3.82Å; M12-L75 HydrophobicContact CE-CG 4.21Å; K59-L75 WeakPolarHBondContact O-CA 3.31Å; A60-L75 HydrophobicContact CB-CD2 3.81Å; M73-L75 HydrophobicContact CE-CD1 4.38Å; M73-L75 HydrophobicContact CE-CG 4.43Å; M73-L75 HydrophobicContact CG-CG 4.47Å; M73-L75 HydrophobicContact SD-CD2 4.43Å; L75-L78 HydrophobicContact CB-CD2 3.81Å; L75-L78 HydrophobicContact CD1-CD2 4.33Å; L75-Y86 HydrophobicContact CD1-CD1 4.47Å; L75-Y86 HydrophobicContact CD1-CE1 3.65Å; L75-Y86 HydrophobicContact CD1-CE2 4.27Å
76	S	96	Very high	96.2	Very high	34 Å²	34	54.5 Å²	54.5	24%	0.238	32%	0.319	C	S	.	.			trans	-111.1	157.3	179.1	-62	0	0	0	0	111.9	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.49Å; S9-S76 PolarHBondContact OG-OG 3.48Å; K59-S76 WeakPolarHBondContact CG-O 3.48Å; K59-S76 PolarHBondContact O-N 2.8Å; S76-L78 PolarHBondContact O-N 3.35Å
77	S	95.1	Very high	96.2	Very high	83 Å²	83	53.9 Å²	53.9	58%	0.58	31%	0.313	S	S	*	.	S	Bend	trans	52.4	53.3	175.2	-55.9	0	0	0	0	112.2	A8 T79	A8-S77 PolarHBondContact O-N 2.91Å; S77-T79 PolarHBondContact O-N 2.78Å
78	L	95.2	Very high	96.2	Very high	22 Å²	22	51.1 Å²	51.1	12%	0.115	29%	0.294	C	S	.	.			trans	-58.5	138.1	-173.6	-71	171.6	0	0	0	112.2	A4 P6 G7 A8 V10 L75 S76 D82	A4-L78 HydrophobicContact CB-CD1 3.49Å; A4-L78 VanDerWaalsContact CB-CD1 3.49Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.32Å; G7-L78 PolarHBondContact N-O 2.93Å; A8-L78 WeakPolarHBondContact O-CB 3.43Å; A8-L78 VanDerWaalsContact O-CG 3.25Å; A8-L78 WeakPolarHBondContact O-CG 3.44Å; A8-L78 PolarHBondContact O-N 2.91Å; V10-L78 HydrophobicContact CB-CD1 4.06Å; V10-L78 HydrophobicContact CG1-CD1 3.82Å; V10-L78 HydrophobicContact CG1-CD2 4.15Å; V10-L78 HydrophobicContact CG1-CG 4.46Å; L75-L78 HydrophobicContact CB-CD2 3.81Å; L75-L78 HydrophobicContact CD1-CD2 4.33Å; S76-L78 PolarHBondContact O-N 3.35Å; L78-D82 WeakPolarHBondContact CA-OD2 3.43Å; L78-D82 HydrophobicContact CD2-CB 3.8Å
79	T	94.4	Very high	96	Very high	61 Å²	61	54 Å²	54	37%	0.374	32%	0.32	S	S	.	.			trans	-118.8	163.3	173.4	66	0	0	0	0	109.5	K59 S77 E81 D82	K59-T79 PolarHBondContact NZ-OG1 2.61Å; S77-T79 PolarHBondContact O-N 2.78Å; T79-E81 PolarHBondContact O-N 3.23Å; T79-D82 PolarHBondContact N-OD2 3.35Å; T79-D82 WeakPolarHBondContact O-CB 3.41Å; T79-D82 PolarHBondContact O-N 3.4Å; T79-D82 PolarHBondContact OG1-OD2 2.94Å
80	P	92.2	Very high	95.9	Very high	111 Å²	111	54.7 Å²	54.7	72%	0.721	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-54.8	-28.1	176.6	-28.2	36.6	0	0	0	113.8	D82 S83	P80-D82 PolarHBondContact O-N 2.86Å; P80-S83 WeakPolarHBondContact O-CB 3.31Å; P80-S83 PolarHBondContact O-N 3.28Å
81	E	90.8	Very high	95.8	Very high	128 Å²	128	57.2 Å²	57.2	60%	0.598	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-65.7	-19.8	176.5	-65.7	-174.6	-163	0	0	113.8	K30 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.46Å; K30-E81 PolarHBondContact NZ-O 2.79Å; T79-E81 PolarHBondContact O-N 3.23Å; E81-S83 VanDerWaalsContact C-N 3.26Å
82	D	93.9	Very high	95.6	Very high	11 Å²	11	60.3 Å²	60.3	6%	0.059	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-79.9	-7.5	176.7	-56.7	-44.2	0	0	0	113.5	K30 K59 L78 T79 P80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.65Å; K59-D82 VanDerWaalsContact CE-CG 3.48Å; K59-D82 WeakPolarHBondContact CE-OD1 3.48Å; K59-D82 WeakPolarHBondContact CE-OD2 3.36Å; K59-D82 IonicContact NZ-OD1 2.78Å; K59-D82 PolarHBondContact NZ-OD1 3.28Å; K59-D82 IonicContact NZ-OD2 2.57Å; K59-D82 PolarHBondContact NZ-OD2 3.44Å; L78-D82 WeakPolarHBondContact CA-OD2 3.43Å; L78-D82 HydrophobicContact CD2-CB 3.8Å; T79-D82 PolarHBondContact N-OD2 3.35Å; T79-D82 WeakPolarHBondContact O-CB 3.41Å; T79-D82 PolarHBondContact O-N 3.4Å; T79-D82 PolarHBondContact OG1-OD2 2.94Å; P80-D82 PolarHBondContact O-N 2.86Å; D82-A84 PolarHBondContact O-N 2.98Å; D82-Y86 WeakPolarHBondContact O-CE2 3.34Å; D82-Y86 PolarHBondContact O-OH 3.12Å
83	S	94.7	Very high	95.5	Very high	96 Å²	96	60.6 Å²	60.6	67%	0.671	36%	0.363	S	S	*	.			trans	-65.9	108.3	173.3	-169.6	0	0	0	0	109.8	P80 E81	P80-S83 WeakPolarHBondContact O-CB 3.31Å; P80-S83 PolarHBondContact O-N 3.28Å; E81-S83 VanDerWaalsContact C-N 3.26Å
84	A	95.8	Very high	95.3	Very high	29 Å²	29	64.4 Å²	64.4	24%	0.24	39%	0.386	C	S	.	.	S	Bend	trans	-164.9	168.8	-171.7	0	0	0	0	0	110.4	K30 Q31 R32 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.12Å; K30-A84 HydrophobicContact CG-CB 3.45Å; K30-A84 VanDerWaalsContact CG-CB 3.45Å; Q31-A84 WeakPolarHBondContact O-CA 3.18Å; Q31-A84 WeakPolarHBondContact O-CB 2.98Å; R32-A84 HydrophobicContact CG-CB 3.91Å; D82-A84 PolarHBondContact O-N 2.98Å; A84-Y86 HydrophobicContact CB-CE2 3.99Å
85	V	96.8	Very high	95.1	Very high	77 Å²	77	63.6 Å²	63.6	47%	0.467	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	135.6	162.4	-172.9	0	0	0	0	108.4	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.37Å; Q31-V85 PolarHBondContact O-N 2.78Å; V85-Y87 HydrophobicContact CB-CE2 4.02Å; V85-Y87 HydrophobicContact CG1-CD1 4.44Å; V85-Y87 HydrophobicContact CG1-CD2 4.36Å; V85-Y87 HydrophobicContact CG1-CE1 3.77Å; V85-Y87 HydrophobicContact CG1-CE2 3.69Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.42Å
86	Y	97.3	Very high	95	Very high	48 Å²	48	68.1 Å²	68.1	19%	0.188	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134	177.6	-68.1	-89.1	0	0	0	109.7	M12 V29 K30 I40 M73 L75 D82 A84	M12-Y86 HydrophobicContact CE-CD1 4.16Å; M12-Y86 HydrophobicContact CE-CD2 4.28Å; M12-Y86 HydrophobicContact CE-CG 3.98Å; M12-Y86 HydrophobicContact SD-CD2 3.95Å; M12-Y86 HydrophobicContact SD-CG 3.86Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; K30-Y86 HydrophobicContact CB-CD1 4.09Å; K30-Y86 HydrophobicContact CB-CE1 3.82Å; K30-Y86 HydrophobicContact CD-CE1 4.02Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å; I40-Y86 HydrophobicContact CD1-CD1 3.8Å; I40-Y86 HydrophobicContact CD1-CE1 3.84Å; M73-Y86 HydrophobicContact CE-CD1 3.5Å; M73-Y86 VanDerWaalsContact CE-CD1 3.5Å; M73-Y86 HydrophobicContact CE-CE1 4.02Å; M73-Y86 HydrophobicContact CE-CG 4.23Å; L75-Y86 HydrophobicContact CD1-CD1 4.47Å; L75-Y86 HydrophobicContact CD1-CE1 3.65Å; L75-Y86 HydrophobicContact CD1-CE2 4.27Å; D82-Y86 WeakPolarHBondContact O-CE2 3.34Å; D82-Y86 PolarHBondContact O-OH 3.12Å; A84-Y86 HydrophobicContact CB-CE2 3.99Å
87	Y	97.6	Very high	94.9	Very high	106 Å²	106	70.7 Å²	70.7	42%	0.416	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.3	-179.9	-56	-83.5	0	0	0	110.3	W28 V29 Q31 L37 V85	W28-Y87 WeakPolarHBondContact CA-O 3.44Å; V29-Y87 PolarHBondContact N-O 2.9Å; V29-Y87 PolarHBondContact O-N 2.65Å; Q31-Y87 HydrophobicContact CB-CD2 4.45Å; Q31-Y87 HydrophobicContact CB-CE2 3.77Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.32Å; Q31-Y87 PolarHBondContact OE1-OH 3.49Å; L37-Y87 HydrophobicContact CD2-CE2 4.49Å; V85-Y87 HydrophobicContact CB-CE2 4.02Å; V85-Y87 HydrophobicContact CG1-CD1 4.44Å; V85-Y87 HydrophobicContact CG1-CD2 4.36Å; V85-Y87 HydrophobicContact CG1-CE1 3.77Å; V85-Y87 HydrophobicContact CG1-CE2 3.69Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.42Å
88	C	97.1	Very high	94.9	Very high	51 Å²	51	69.7 Å²	69.7	35%	0.345	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	145.3	166	59.1	0	0	0	0	109.6	C14 M26 H27 W28	C14-C88 HydrophobicContact CB-CB 3.53Å; C14-C88 WeakPolarHBondContact CB-SG 2.8Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.59Å; M26-C88 HydrophobicContact CG-CB 4.34Å; M26-C88 HydrophobicContact SD-CB 3.74Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 3.46Å; W28-C88 HydrophobicContact CD2-CB 4.41Å; W28-C88 HydrophobicContact CE3-CB 4.24Å; W28-C88 HydrophobicContact CH2-CB 4.32Å; W28-C88 HydrophobicContact CZ2-CB 4.45Å; W28-C88 HydrophobicContact CZ3-CB 4.21Å
89	A	92.6	Very high	94.8	Very high	96 Å²	96	74 Å²	74	79%	0.793	44%	0.443	S	S	*	.			trans	-148.3	0	-179.4	0	0	0	0	0	111.5	M26 H27	M26-A89 CarbonylContact C-O 3.58Å; H27-A89 PolarHBondContact N-O 2.81Å; H27-A89 PolarHBondContact O-N 3.26Å; H27-A89 VanDerWaalsContact O-N 3.09Å

Retrieved 89 of 89 residues in 22.3 ms (Link to these results)

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